smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cc1F ZINC000093943067 1125543867 /nfs/dbraw/zinc/54/38/67/1125543867.db2.gz SMMXEQDSNUTAJU-HNNXBMFYSA-N 2 1 352.457 4.237 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182614408 1125581553 /nfs/dbraw/zinc/58/15/53/1125581553.db2.gz PORWFAGGAHWNKA-SFHVURJKSA-N 2 1 370.509 4.079 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1Br ZINC000262356719 1125721087 /nfs/dbraw/zinc/72/10/87/1125721087.db2.gz VWGBZRBBQDORFU-GOPGUHFVSA-N 2 1 361.283 4.253 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCc3nc4ccccc4[nH]3)CC23CC3)cc1 ZINC000579831830 1080029461 /nfs/dbraw/zinc/02/94/61/1080029461.db2.gz PTQWTBBXFGXBJJ-FQEVSTJZSA-N 2 1 374.532 4.282 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCc3nc4ccccc4[nH]3)CC23CC3)cc1 ZINC000579831830 1080029470 /nfs/dbraw/zinc/02/94/70/1080029470.db2.gz PTQWTBBXFGXBJJ-FQEVSTJZSA-N 2 1 374.532 4.282 20 0 FIADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000179706054 1080241183 /nfs/dbraw/zinc/24/11/83/1080241183.db2.gz WIGDBCMUDUVFEK-INIZCTEOSA-N 2 1 365.949 4.029 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000547732112 1080297701 /nfs/dbraw/zinc/29/77/01/1080297701.db2.gz JSQIMMCXGJSWTO-KRWDZBQOSA-N 2 1 368.525 4.013 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000547732112 1080297706 /nfs/dbraw/zinc/29/77/06/1080297706.db2.gz JSQIMMCXGJSWTO-KRWDZBQOSA-N 2 1 368.525 4.013 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4cc(C)ccc4C[C@H]3C)CC2)oc1C ZINC000180524300 1080508743 /nfs/dbraw/zinc/50/87/43/1080508743.db2.gz NIJRDRYBMWGWQZ-WAIKUNEKSA-N 2 1 367.537 4.335 20 0 FIADMP CCOc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC001648795672 1080804408 /nfs/dbraw/zinc/80/44/08/1080804408.db2.gz UKZHYDFNEADZOR-GOSISDBHSA-N 2 1 353.510 4.145 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398167253 1080813633 /nfs/dbraw/zinc/81/36/33/1080813633.db2.gz UAVUAINHVJRTFJ-IEGUWTFLSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398167253 1080813636 /nfs/dbraw/zinc/81/36/36/1080813636.db2.gz UAVUAINHVJRTFJ-IEGUWTFLSA-N 2 1 365.521 4.206 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000236862660 1080908181 /nfs/dbraw/zinc/90/81/81/1080908181.db2.gz PKDQKYUZXJKDRC-KBXCAEBGSA-N 2 1 359.341 4.220 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000236862660 1080908185 /nfs/dbraw/zinc/90/81/85/1080908185.db2.gz PKDQKYUZXJKDRC-KBXCAEBGSA-N 2 1 359.341 4.220 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000579914097 1080987731 /nfs/dbraw/zinc/98/77/31/1080987731.db2.gz PPPAJWVYMWYOMK-OTWHNJEPSA-N 2 1 372.582 4.010 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000579914097 1080987733 /nfs/dbraw/zinc/98/77/33/1080987733.db2.gz PPPAJWVYMWYOMK-OTWHNJEPSA-N 2 1 372.582 4.010 20 0 FIADMP CCC(CC)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000655703668 1081124186 /nfs/dbraw/zinc/12/41/86/1081124186.db2.gz SVQAMIDELJTTBA-QUCCMNQESA-N 2 1 350.572 4.458 20 0 FIADMP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655709438 1081128287 /nfs/dbraw/zinc/12/82/87/1081128287.db2.gz ZZKOZLYLLHVQEO-ACIOBRDBSA-N 2 1 356.554 4.021 20 0 FIADMP Clc1ccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000655718236 1081137233 /nfs/dbraw/zinc/13/72/33/1081137233.db2.gz HIVCQQJCEJMYMZ-SFHVURJKSA-N 2 1 371.352 4.159 20 0 FIADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000655751692 1081168999 /nfs/dbraw/zinc/16/89/99/1081168999.db2.gz QESOJOWMLPHGGX-XZOQPEGZSA-N 2 1 364.533 4.037 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655751868 1081169854 /nfs/dbraw/zinc/16/98/54/1081169854.db2.gz KVNJRRMHTIBUAE-WIYYLYMNSA-N 2 1 357.542 4.039 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655751868 1081169857 /nfs/dbraw/zinc/16/98/57/1081169857.db2.gz KVNJRRMHTIBUAE-WIYYLYMNSA-N 2 1 357.542 4.039 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001648817127 1081238983 /nfs/dbraw/zinc/23/89/83/1081238983.db2.gz VZHJSUNVZLHZLI-GOSISDBHSA-N 2 1 360.542 4.386 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000121442659 1081242404 /nfs/dbraw/zinc/24/24/04/1081242404.db2.gz GUMSFFLPVPHRCO-NEPJUHHUSA-N 2 1 354.267 4.080 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Oc2ccc(C)cc2OC)C1 ZINC001648828595 1081266168 /nfs/dbraw/zinc/26/61/68/1081266168.db2.gz KLWOYPVKMRSUBG-SFHVURJKSA-N 2 1 354.494 4.227 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Oc2ccc(C)cc2OC)C1 ZINC001648828595 1081266176 /nfs/dbraw/zinc/26/61/76/1081266176.db2.gz KLWOYPVKMRSUBG-SFHVURJKSA-N 2 1 354.494 4.227 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000122225270 1081311127 /nfs/dbraw/zinc/31/11/27/1081311127.db2.gz ZPRXVUHEAAJEMZ-UHFFFAOYSA-N 2 1 351.469 4.104 20 0 FIADMP CCSc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000547979462 1081315959 /nfs/dbraw/zinc/31/59/59/1081315959.db2.gz QYUKPSSLLQGEJC-YLJYHZDGSA-N 2 1 355.551 4.194 20 0 FIADMP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCCO1 ZINC000683692952 1081392492 /nfs/dbraw/zinc/39/24/92/1081392492.db2.gz YHWZRBVNUUCJJM-YUMYIRISSA-N 2 1 356.554 4.367 20 0 FIADMP CC[NH+](CC)Cc1ccc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)o1 ZINC000656036746 1081486130 /nfs/dbraw/zinc/48/61/30/1081486130.db2.gz GSMZVEHEXUCQGO-UHFFFAOYSA-N 2 1 371.485 4.008 20 0 FIADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1)C1CCC1 ZINC000122401987 1081543287 /nfs/dbraw/zinc/54/32/87/1081543287.db2.gz WUIDJMYSLUMNQV-UHFFFAOYSA-N 2 1 369.553 4.312 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000580315326 1081834761 /nfs/dbraw/zinc/83/47/61/1081834761.db2.gz COQPSPCVPFXZLE-APWZRJJASA-N 2 1 367.518 4.184 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587179 1082028058 /nfs/dbraw/zinc/02/80/58/1082028058.db2.gz XDXILIXRXFESQP-OIBXWCBGSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587179 1082028061 /nfs/dbraw/zinc/02/80/61/1082028061.db2.gz XDXILIXRXFESQP-OIBXWCBGSA-N 2 1 352.522 4.264 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000580743942 1082117882 /nfs/dbraw/zinc/11/78/82/1082117882.db2.gz SJOJMBJQMFCGEZ-NRFANRHFSA-N 2 1 354.542 4.164 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000580743942 1082117887 /nfs/dbraw/zinc/11/78/87/1082117887.db2.gz SJOJMBJQMFCGEZ-NRFANRHFSA-N 2 1 354.542 4.164 20 0 FIADMP CCc1nc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000581087283 1082307653 /nfs/dbraw/zinc/30/76/53/1082307653.db2.gz IGWXCAIJLYJPKF-UHFFFAOYSA-N 2 1 357.567 4.281 20 0 FIADMP CC[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000581461496 1082589135 /nfs/dbraw/zinc/58/91/35/1082589135.db2.gz RXUVGWQUINEANJ-HXUWFJFHSA-N 2 1 364.493 4.381 20 0 FIADMP CC[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000581461496 1082589136 /nfs/dbraw/zinc/58/91/36/1082589136.db2.gz RXUVGWQUINEANJ-HXUWFJFHSA-N 2 1 364.493 4.381 20 0 FIADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000656787822 1082772653 /nfs/dbraw/zinc/77/26/53/1082772653.db2.gz WVODTTOOZMSHHO-LMNJBCLMSA-N 2 1 369.940 4.249 20 0 FIADMP Fc1ccc(COc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c(F)c1 ZINC000647172050 1082788776 /nfs/dbraw/zinc/78/87/76/1082788776.db2.gz GQCQXYVWVRONKF-PMACEKPBSA-N 2 1 372.459 4.260 20 0 FIADMP Fc1ccc(COc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)c(F)c1 ZINC000647172050 1082788780 /nfs/dbraw/zinc/78/87/80/1082788780.db2.gz GQCQXYVWVRONKF-PMACEKPBSA-N 2 1 372.459 4.260 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789721 1082995320 /nfs/dbraw/zinc/99/53/20/1082995320.db2.gz DACVWIHIOBYXFA-FXAWDEMLSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789721 1082995321 /nfs/dbraw/zinc/99/53/21/1082995321.db2.gz DACVWIHIOBYXFA-FXAWDEMLSA-N 2 1 374.475 4.331 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000581973060 1083120263 /nfs/dbraw/zinc/12/02/63/1083120263.db2.gz VVVHOVOPPBZOAK-YTBHAWNYSA-N 2 1 352.469 4.401 20 0 FIADMP C[C@H](c1ccccc1F)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430923396 1083237945 /nfs/dbraw/zinc/23/79/45/1083237945.db2.gz DKQZXKQFIUWPSC-GOSISDBHSA-N 2 1 361.549 4.015 20 0 FIADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320171 1083405821 /nfs/dbraw/zinc/40/58/21/1083405821.db2.gz PHEBTDGCLWULMO-SIKLNZKXSA-N 2 1 356.554 4.084 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCC4(CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658318918 1083406092 /nfs/dbraw/zinc/40/60/92/1083406092.db2.gz UXEGCWXXHFVRBI-ZLHNRXBCSA-N 2 1 368.565 4.370 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCSCC1 ZINC000658319167 1083406711 /nfs/dbraw/zinc/40/67/11/1083406711.db2.gz XWYDAVIWOOFKDC-RXVVDRJESA-N 2 1 358.595 4.410 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510980638 1083557039 /nfs/dbraw/zinc/55/70/39/1083557039.db2.gz YMVBCEVJQZTXKJ-NBCNXNJRSA-N 2 1 368.496 4.322 20 0 FIADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC000668785991 1084083818 /nfs/dbraw/zinc/08/38/18/1084083818.db2.gz SBPDJNRURFJDSD-MRXNPFEDSA-N 2 1 362.901 4.143 20 0 FIADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC000668785991 1084083833 /nfs/dbraw/zinc/08/38/33/1084083833.db2.gz SBPDJNRURFJDSD-MRXNPFEDSA-N 2 1 362.901 4.143 20 0 FIADMP CCn1nc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c2ccccc21 ZINC000472041119 1084151202 /nfs/dbraw/zinc/15/12/02/1084151202.db2.gz KQGKIIVDBDCJKT-UHFFFAOYSA-N 2 1 362.521 4.332 20 0 FIADMP COCc1csc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000657310866 1084407630 /nfs/dbraw/zinc/40/76/30/1084407630.db2.gz QLTRATKLFJINSA-QGZVFWFLSA-N 2 1 358.551 4.416 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)c1 ZINC000414066629 1084413134 /nfs/dbraw/zinc/41/31/34/1084413134.db2.gz IHPURJQXLRIWDQ-HNNXBMFYSA-N 2 1 353.441 4.488 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000157660965 1084443039 /nfs/dbraw/zinc/44/30/39/1084443039.db2.gz IGVQEQOECPLIIT-DLBZAZTESA-N 2 1 352.526 4.319 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657312358 1084450912 /nfs/dbraw/zinc/45/09/12/1084450912.db2.gz HBRXYEWABQFBHC-KDURUIRLSA-N 2 1 366.553 4.061 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657312358 1084450918 /nfs/dbraw/zinc/45/09/18/1084450918.db2.gz HBRXYEWABQFBHC-KDURUIRLSA-N 2 1 366.553 4.061 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657312359 1084451410 /nfs/dbraw/zinc/45/14/10/1084451410.db2.gz HBRXYEWABQFBHC-OALUTQOASA-N 2 1 366.553 4.061 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511058157 1084519005 /nfs/dbraw/zinc/51/90/05/1084519005.db2.gz DUXBIYOEQWZCQN-UHFFFAOYSA-N 2 1 355.404 4.045 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511058157 1084519016 /nfs/dbraw/zinc/51/90/16/1084519016.db2.gz DUXBIYOEQWZCQN-UHFFFAOYSA-N 2 1 355.404 4.045 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000548712098 1084792791 /nfs/dbraw/zinc/79/27/91/1084792791.db2.gz SJZUKOCZNGLQHV-ILWGZMRPSA-N 2 1 369.578 4.274 20 0 FIADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1-c1cccc(Cl)c1 ZINC000414202361 1084800080 /nfs/dbraw/zinc/80/00/80/1084800080.db2.gz ZCDNGXYTROYBRL-DOTOQJQBSA-N 2 1 360.933 4.217 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132731340 1085008966 /nfs/dbraw/zinc/00/89/66/1085008966.db2.gz RAWNZRFTVGDECX-YKSBVNFPSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132731340 1085008978 /nfs/dbraw/zinc/00/89/78/1085008978.db2.gz RAWNZRFTVGDECX-YKSBVNFPSA-N 2 1 363.549 4.156 20 0 FIADMP COCC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486958 1085063443 /nfs/dbraw/zinc/06/34/43/1085063443.db2.gz UOVFVNVFTKNFAY-PMACEKPBSA-N 2 1 354.494 4.144 20 0 FIADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135046 1085170665 /nfs/dbraw/zinc/17/06/65/1085170665.db2.gz DNWIBHJOZHITIW-FUHWJXTLSA-N 2 1 364.530 4.018 20 0 FIADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135046 1085170670 /nfs/dbraw/zinc/17/06/70/1085170670.db2.gz DNWIBHJOZHITIW-FUHWJXTLSA-N 2 1 364.530 4.018 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167589960 1085248235 /nfs/dbraw/zinc/24/82/35/1085248235.db2.gz KZHNGQVLPGPAHZ-RBUKOAKNSA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167589960 1085248241 /nfs/dbraw/zinc/24/82/41/1085248241.db2.gz KZHNGQVLPGPAHZ-RBUKOAKNSA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167589960 1085248248 /nfs/dbraw/zinc/24/82/48/1085248248.db2.gz KZHNGQVLPGPAHZ-RBUKOAKNSA-N 2 1 369.594 4.266 20 0 FIADMP CCC[N@H+](Cc1ccncc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000472244876 1085444348 /nfs/dbraw/zinc/44/43/48/1085444348.db2.gz UQENMSYXGSDCPD-UHFFFAOYSA-N 2 1 373.932 4.023 20 0 FIADMP CCC[N@@H+](Cc1ccncc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000472244876 1085444353 /nfs/dbraw/zinc/44/43/53/1085444353.db2.gz UQENMSYXGSDCPD-UHFFFAOYSA-N 2 1 373.932 4.023 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000075642726 1085534073 /nfs/dbraw/zinc/53/40/73/1085534073.db2.gz QTYSEZPRSHNEBW-UHFFFAOYSA-N 2 1 365.587 4.056 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000075642726 1085534079 /nfs/dbraw/zinc/53/40/79/1085534079.db2.gz QTYSEZPRSHNEBW-UHFFFAOYSA-N 2 1 365.587 4.056 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000075642726 1085534082 /nfs/dbraw/zinc/53/40/82/1085534082.db2.gz QTYSEZPRSHNEBW-UHFFFAOYSA-N 2 1 365.587 4.056 20 0 FIADMP Brc1ccccc1CC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207530344 1085668272 /nfs/dbraw/zinc/66/82/72/1085668272.db2.gz AIIBDVFBKBFXGX-SFHVURJKSA-N 2 1 365.359 4.332 20 0 FIADMP Brc1ccccc1CC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207530344 1085668277 /nfs/dbraw/zinc/66/82/77/1085668277.db2.gz AIIBDVFBKBFXGX-SFHVURJKSA-N 2 1 365.359 4.332 20 0 FIADMP C[C@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657628175 1085722271 /nfs/dbraw/zinc/72/22/71/1085722271.db2.gz FLVQYLDKGPKJOI-QGZVFWFLSA-N 2 1 374.475 4.029 20 0 FIADMP Cc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000048564803 1085903135 /nfs/dbraw/zinc/90/31/35/1085903135.db2.gz ASUWZRBBXSJAGW-UHFFFAOYSA-N 2 1 368.525 4.133 20 0 FIADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347824 1085919657 /nfs/dbraw/zinc/91/96/57/1085919657.db2.gz MVCNFROEBZHNDE-OSDKZWGASA-N 2 1 357.325 4.273 20 0 FIADMP CN(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC001167646580 1086010005 /nfs/dbraw/zinc/01/00/05/1086010005.db2.gz FKJDLBKNWSNSFQ-UPVQGACJSA-N 2 1 363.549 4.109 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000247979673 1086160319 /nfs/dbraw/zinc/16/03/19/1086160319.db2.gz MDSRSTPIVDHGHP-WAOWUJCRSA-N 2 1 368.521 4.093 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000247979673 1086160328 /nfs/dbraw/zinc/16/03/28/1086160328.db2.gz MDSRSTPIVDHGHP-WAOWUJCRSA-N 2 1 368.521 4.093 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)C1 ZINC000628203537 1086207815 /nfs/dbraw/zinc/20/78/15/1086207815.db2.gz MEFYQTYPTDLTRN-IAGOWNOFSA-N 2 1 353.510 4.320 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297821 1086400870 /nfs/dbraw/zinc/40/08/70/1086400870.db2.gz SGXWCTUGXKNSKY-UYAOXDASSA-N 2 1 371.569 4.157 20 0 FIADMP CC[C@H](c1ccccc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327119 1086414891 /nfs/dbraw/zinc/41/48/91/1086414891.db2.gz JTTOIHAHNRBLDN-JOCHJYFZSA-N 2 1 352.526 4.207 20 0 FIADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327514 1086418250 /nfs/dbraw/zinc/41/82/50/1086418250.db2.gz QEJNVBJENCAIBY-QFIPXVFZSA-N 2 1 370.516 4.347 20 0 FIADMP FC(F)c1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327359 1086418350 /nfs/dbraw/zinc/41/83/50/1086418350.db2.gz OKNSVJOAFFIFJE-UHFFFAOYSA-N 2 1 374.479 4.194 20 0 FIADMP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663346573 1086448073 /nfs/dbraw/zinc/44/80/73/1086448073.db2.gz VNMBIEFBQJBEAL-OAHLLOKOSA-N 2 1 358.860 4.153 20 0 FIADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162748475 1086458057 /nfs/dbraw/zinc/45/80/57/1086458057.db2.gz GYEOOUPWJJBNBJ-KRWDZBQOSA-N 2 1 371.525 4.171 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c(F)cn1 ZINC000583254402 1086478087 /nfs/dbraw/zinc/47/80/87/1086478087.db2.gz GYXAHJJRJSJNBB-QGZVFWFLSA-N 2 1 371.500 4.312 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441523 1086544575 /nfs/dbraw/zinc/54/45/75/1086544575.db2.gz UWIPZSCVWUMYBS-INWMFGNUSA-N 2 1 369.372 4.448 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441523 1086544582 /nfs/dbraw/zinc/54/45/82/1086544582.db2.gz UWIPZSCVWUMYBS-INWMFGNUSA-N 2 1 369.372 4.448 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125880494 1086554982 /nfs/dbraw/zinc/55/49/82/1086554982.db2.gz NIPAOQCMGFDQKZ-RDJZCZTQSA-N 2 1 358.555 4.285 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466292 1086563890 /nfs/dbraw/zinc/56/38/90/1086563890.db2.gz QPCUAOJBWIOXRU-CRAIPNDOSA-N 2 1 367.459 4.189 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663467006 1086569637 /nfs/dbraw/zinc/56/96/37/1086569637.db2.gz CIXFMAVQVREVOC-HOCLYGCPSA-N 2 1 368.468 4.069 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167833454 1086666126 /nfs/dbraw/zinc/66/61/26/1086666126.db2.gz BHTZUCORNZFWOM-FYYLOGMGSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167833454 1086666128 /nfs/dbraw/zinc/66/61/28/1086666128.db2.gz BHTZUCORNZFWOM-FYYLOGMGSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167833454 1086666132 /nfs/dbraw/zinc/66/61/32/1086666132.db2.gz BHTZUCORNZFWOM-FYYLOGMGSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833454 1086666135 /nfs/dbraw/zinc/66/61/35/1086666135.db2.gz BHTZUCORNZFWOM-FYYLOGMGSA-N 2 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833454 1086666138 /nfs/dbraw/zinc/66/61/38/1086666138.db2.gz BHTZUCORNZFWOM-FYYLOGMGSA-N 2 1 357.586 4.095 20 0 FIADMP COc1cccc(OC)c1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044825 1086699977 /nfs/dbraw/zinc/69/99/77/1086699977.db2.gz ICOXYVGPPOBXJR-ICSRJNTNSA-N 2 1 368.521 4.094 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167837221 1086711542 /nfs/dbraw/zinc/71/15/42/1086711542.db2.gz JOROIKBTWYHZSS-RBUKOAKNSA-N 2 1 369.594 4.076 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001167837773 1086712267 /nfs/dbraw/zinc/71/22/67/1086712267.db2.gz MKQKQMZNWROWML-OAQYLSRUSA-N 3 1 359.602 4.341 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000166685802 1086723383 /nfs/dbraw/zinc/72/33/83/1086723383.db2.gz RWJYXECUKKQGNZ-YQHYCNIYSA-N 2 1 367.518 4.330 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413287 1086736232 /nfs/dbraw/zinc/73/62/32/1086736232.db2.gz FXNMVPHPDYMPAZ-IAGOWNOFSA-N 2 1 373.566 4.270 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413287 1086736234 /nfs/dbraw/zinc/73/62/34/1086736234.db2.gz FXNMVPHPDYMPAZ-IAGOWNOFSA-N 2 1 373.566 4.270 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841617 1086738521 /nfs/dbraw/zinc/73/85/21/1086738521.db2.gz NDJQVMKAMNNORW-WIYYLYMNSA-N 2 1 369.594 4.218 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413922 1086740084 /nfs/dbraw/zinc/74/00/84/1086740084.db2.gz OXCBVGQTPTUXEU-WTIAFYNJSA-N 2 1 374.569 4.200 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413922 1086740086 /nfs/dbraw/zinc/74/00/86/1086740086.db2.gz OXCBVGQTPTUXEU-WTIAFYNJSA-N 2 1 374.569 4.200 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001167841899 1086741170 /nfs/dbraw/zinc/74/11/70/1086741170.db2.gz UEEWWMYMQPTHKF-MRXNPFEDSA-N 2 1 356.489 4.109 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001167841899 1086741177 /nfs/dbraw/zinc/74/11/77/1086741177.db2.gz UEEWWMYMQPTHKF-MRXNPFEDSA-N 2 1 356.489 4.109 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CCCO1 ZINC000432419075 1086742941 /nfs/dbraw/zinc/74/29/41/1086742941.db2.gz YSVUTKZZOWSYEQ-IMFGXOCKSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CCCO1 ZINC000432419075 1086742946 /nfs/dbraw/zinc/74/29/46/1086742946.db2.gz YSVUTKZZOWSYEQ-IMFGXOCKSA-N 2 1 350.934 4.067 20 0 FIADMP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000432425780 1086753251 /nfs/dbraw/zinc/75/32/51/1086753251.db2.gz NPYAXAZCRNXDNI-BUNPMSMLSA-N 2 1 370.581 4.470 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1c1ccccc1 ZINC001167842567 1086754087 /nfs/dbraw/zinc/75/40/87/1086754087.db2.gz YKLNLLKBCZTUGG-TYPHKJRUSA-N 2 1 360.542 4.123 20 0 FIADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)c2)cc1 ZINC000650706826 1086761165 /nfs/dbraw/zinc/76/11/65/1086761165.db2.gz TWQWFAWCDMZIPZ-KMDXXIMOSA-N 2 1 364.533 4.380 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC001167845194 1086772811 /nfs/dbraw/zinc/77/28/11/1086772811.db2.gz SGGXTPFNTASTRT-GOTSBHOMSA-N 2 1 352.522 4.000 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC001167845194 1086772818 /nfs/dbraw/zinc/77/28/18/1086772818.db2.gz SGGXTPFNTASTRT-GOTSBHOMSA-N 2 1 352.522 4.000 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000650721803 1086826042 /nfs/dbraw/zinc/82/60/42/1086826042.db2.gz BQPGLOWTVJRWND-YZGWKJHDSA-N 2 1 374.525 4.415 20 0 FIADMP Cc1nc(F)ccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000278364230 1086907806 /nfs/dbraw/zinc/90/78/06/1086907806.db2.gz JERSJROPSNRHTG-UHFFFAOYSA-N 2 1 353.441 4.044 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583720317 1086929800 /nfs/dbraw/zinc/92/98/00/1086929800.db2.gz CQLNEHYPPWXYTM-IYBDPMFKSA-N 2 1 352.404 4.129 20 0 FIADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000650756756 1086968998 /nfs/dbraw/zinc/96/89/98/1086968998.db2.gz JITBDLUTENFMHC-KRWDZBQOSA-N 2 1 363.274 4.085 20 0 FIADMP CC(C)c1[nH+]c(CNC2CC[NH+](CC3CCCC3)CC2)c2ccccn21 ZINC000584355238 1087278845 /nfs/dbraw/zinc/27/88/45/1087278845.db2.gz OHAQHGYIOGDIAH-UHFFFAOYSA-N 2 1 354.542 4.202 20 0 FIADMP Cc1ccc(COc2ccc(C[C@@H](C)[NH2+]C3CC[NH+](C)CC3)cc2)cc1 ZINC000089549414 1087395712 /nfs/dbraw/zinc/39/57/12/1087395712.db2.gz JFFJCYCSHQPORP-LJQANCHMSA-N 2 1 352.522 4.189 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2cnccc2o1 ZINC000657861999 1087423559 /nfs/dbraw/zinc/42/35/59/1087423559.db2.gz XULHUHNCYDKQMG-CVEARBPZSA-N 2 1 355.507 4.452 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2cnccc2o1 ZINC000657861999 1087423561 /nfs/dbraw/zinc/42/35/61/1087423561.db2.gz XULHUHNCYDKQMG-CVEARBPZSA-N 2 1 355.507 4.452 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000091265916 1087426292 /nfs/dbraw/zinc/42/62/92/1087426292.db2.gz SLTUYXOVZGJCIC-QHCPKHFHSA-N 2 1 350.506 4.068 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)oc21 ZINC000708545757 1087439955 /nfs/dbraw/zinc/43/99/55/1087439955.db2.gz VJDMYRWBTOKMIP-YLJYHZDGSA-N 2 1 364.489 4.299 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)oc21 ZINC000708545757 1087439956 /nfs/dbraw/zinc/43/99/56/1087439956.db2.gz VJDMYRWBTOKMIP-YLJYHZDGSA-N 2 1 364.489 4.299 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000685424212 1087564812 /nfs/dbraw/zinc/56/48/12/1087564812.db2.gz GAZKFGQRGVYXNV-HNAYVOBHSA-N 2 1 370.459 4.042 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3C)cc2cc1OC ZINC000657890760 1087566692 /nfs/dbraw/zinc/56/66/92/1087566692.db2.gz SBNHKVOOAIETAK-MRXNPFEDSA-N 2 1 367.493 4.493 20 0 FIADMP CC[NH+](C[C@H](C)C[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000685590226 1087635026 /nfs/dbraw/zinc/63/50/26/1087635026.db2.gz NAAGKURMOCFGEF-ACDBMABISA-N 2 1 368.606 4.182 20 0 FIADMP CC[NH+](C[C@@H](C)C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000685590226 1087635028 /nfs/dbraw/zinc/63/50/28/1087635028.db2.gz NAAGKURMOCFGEF-ACDBMABISA-N 2 1 368.606 4.182 20 0 FIADMP CC[NH+](C[C@@H](C)C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000685590226 1087635029 /nfs/dbraw/zinc/63/50/29/1087635029.db2.gz NAAGKURMOCFGEF-ACDBMABISA-N 2 1 368.606 4.182 20 0 FIADMP CC(C)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657936532 1087662976 /nfs/dbraw/zinc/66/29/76/1087662976.db2.gz FSECQCUQVLROKZ-KRWDZBQOSA-N 2 1 355.295 4.137 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125771 1087730624 /nfs/dbraw/zinc/73/06/24/1087730624.db2.gz CFKRPKPSBDJSBZ-AUSIDOKSSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125771 1087730629 /nfs/dbraw/zinc/73/06/29/1087730629.db2.gz CFKRPKPSBDJSBZ-AUSIDOKSSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125774 1087731352 /nfs/dbraw/zinc/73/13/52/1087731352.db2.gz CFKRPKPSBDJSBZ-CVDCTZTESA-N 2 1 359.517 4.278 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125774 1087731359 /nfs/dbraw/zinc/73/13/59/1087731359.db2.gz CFKRPKPSBDJSBZ-CVDCTZTESA-N 2 1 359.517 4.278 20 0 FIADMP CCCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658141738 1087733762 /nfs/dbraw/zinc/73/37/62/1087733762.db2.gz UKWXQBOTAHKLDG-GOTSBHOMSA-N 2 1 352.522 4.274 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(Cl)cc3)C3CC3)cc2)C1 ZINC000658137308 1087741464 /nfs/dbraw/zinc/74/14/64/1087741464.db2.gz GLCRBVPOYFJVAR-VXKWHMMOSA-N 2 1 370.924 4.148 20 0 FIADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139910 1087743280 /nfs/dbraw/zinc/74/32/80/1087743280.db2.gz NZXVBPPOEODDBD-YLJYHZDGSA-N 2 1 364.489 4.159 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189437 1087778652 /nfs/dbraw/zinc/77/86/52/1087778652.db2.gz SVRPMTTZALDGQQ-QGZVFWFLSA-N 2 1 369.372 4.201 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414787661 1087987203 /nfs/dbraw/zinc/98/72/03/1087987203.db2.gz VSFQMCXWUGXRRC-RTWAWAEBSA-N 2 1 350.506 4.184 20 0 FIADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000423233541 1088076862 /nfs/dbraw/zinc/07/68/62/1088076862.db2.gz DQCXVFRYTRLTEQ-ZRBLBEILSA-N 2 1 351.538 4.235 20 0 FIADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000423233540 1088077709 /nfs/dbraw/zinc/07/77/09/1088077709.db2.gz DQCXVFRYTRLTEQ-ZLNRFVROSA-N 2 1 351.538 4.235 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311196761 1088345640 /nfs/dbraw/zinc/34/56/40/1088345640.db2.gz ILTIAQJWAOZQQP-GOSISDBHSA-N 2 1 358.913 4.350 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311196761 1088345656 /nfs/dbraw/zinc/34/56/56/1088345656.db2.gz ILTIAQJWAOZQQP-GOSISDBHSA-N 2 1 358.913 4.350 20 0 FIADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647938486 1088453140 /nfs/dbraw/zinc/45/31/40/1088453140.db2.gz OLXVMDPKFIWWDK-CSODHUTKSA-N 2 1 351.494 4.059 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)C[C@H](C)O1 ZINC000513859849 1088455093 /nfs/dbraw/zinc/45/50/93/1088455093.db2.gz QMBYOWGDEIOFGA-MFEFFIJZSA-N 2 1 368.496 4.212 20 0 FIADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000311395654 1088619647 /nfs/dbraw/zinc/61/96/47/1088619647.db2.gz OVWADUDAWLKEAT-XXBNENTESA-N 2 1 352.522 4.128 20 0 FIADMP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311546342 1088720739 /nfs/dbraw/zinc/72/07/39/1088720739.db2.gz VBVZHOFERXHKBX-NRFANRHFSA-N 2 1 366.534 4.140 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCc3ccc(F)cc3)CCCC2)CC1 ZINC000468557879 1089026180 /nfs/dbraw/zinc/02/61/80/1089026180.db2.gz YNXGCZIVOIYSAG-GOSISDBHSA-N 2 1 362.533 4.160 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000312390442 1089060756 /nfs/dbraw/zinc/06/07/56/1089060756.db2.gz CTQUTUVUNQEUCI-AZUAARDMSA-N 2 1 366.505 4.021 20 0 FIADMP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000425230879 1089101516 /nfs/dbraw/zinc/10/15/16/1089101516.db2.gz DINVTDYRZKYCLI-OAHLLOKOSA-N 2 1 366.896 4.343 20 0 FIADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415093550 1089158108 /nfs/dbraw/zinc/15/81/08/1089158108.db2.gz VQZAIBHIQZDOMP-ZEWNOJEFSA-N 2 1 358.913 4.499 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000435041541 1089218916 /nfs/dbraw/zinc/21/89/16/1089218916.db2.gz JOQKLURLHLTZOX-ZPMCFJSWSA-N 2 1 365.521 4.004 20 0 FIADMP COc1ccccc1/C=C\C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435061088 1089249921 /nfs/dbraw/zinc/24/99/21/1089249921.db2.gz NZRQLNPCKQVRCI-VURMDHGXSA-N 2 1 351.494 4.121 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000549236936 1089310610 /nfs/dbraw/zinc/31/06/10/1089310610.db2.gz IQBLJMBOHYODJC-NFVALVNTSA-N 2 1 356.554 4.080 20 0 FIADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1cccs1 ZINC000435375839 1089568149 /nfs/dbraw/zinc/56/81/49/1089568149.db2.gz XCNQVMFUSZARQV-JWTNVVGKSA-N 2 1 372.534 4.051 20 0 FIADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1cccs1 ZINC000435375839 1089568166 /nfs/dbraw/zinc/56/81/66/1089568166.db2.gz XCNQVMFUSZARQV-JWTNVVGKSA-N 2 1 372.534 4.051 20 0 FIADMP C[N@H+](Cc1ccc(Cl)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000515017432 1089721770 /nfs/dbraw/zinc/72/17/70/1089721770.db2.gz AMRMOEAAMVIPRV-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000515017432 1089721784 /nfs/dbraw/zinc/72/17/84/1089721784.db2.gz AMRMOEAAMVIPRV-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP C[NH+](Cc1ccc(Cl)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000515017432 1089721799 /nfs/dbraw/zinc/72/17/99/1089721799.db2.gz AMRMOEAAMVIPRV-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP C[NH+](Cc1ccc(Cl)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000515017432 1089721812 /nfs/dbraw/zinc/72/18/12/1089721812.db2.gz AMRMOEAAMVIPRV-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1)CC(C)C ZINC000415983182 1090061214 /nfs/dbraw/zinc/06/12/14/1090061214.db2.gz NAIIPMFUEAMZIV-UHFFFAOYSA-N 2 1 374.573 4.018 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000163909023 1090194501 /nfs/dbraw/zinc/19/45/01/1090194501.db2.gz LFUSSWQYAJCKSM-UHFFFAOYSA-N 2 1 369.509 4.235 20 0 FIADMP C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000467198496 1090194588 /nfs/dbraw/zinc/19/45/88/1090194588.db2.gz UCQGPFWYOIAJKV-OAQYLSRUSA-N 2 1 357.542 4.112 20 0 FIADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180611168 1090222853 /nfs/dbraw/zinc/22/28/53/1090222853.db2.gz DTOQKQRNWIXJRQ-HRAATJIYSA-N 2 1 369.484 4.213 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1 ZINC000378403190 1090343335 /nfs/dbraw/zinc/34/33/35/1090343335.db2.gz NNVPNOWINPKWSP-KRWDZBQOSA-N 2 1 371.488 4.432 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000511595882 1090611305 /nfs/dbraw/zinc/61/13/05/1090611305.db2.gz TYNIMWVAKYWLMO-BGYRXZFFSA-N 2 1 366.549 4.204 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366473 1090626889 /nfs/dbraw/zinc/62/68/89/1090626889.db2.gz AJEKEVHFDFVFEF-CTNGQTDRSA-N 2 1 360.505 4.045 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366473 1090626894 /nfs/dbraw/zinc/62/68/94/1090626894.db2.gz AJEKEVHFDFVFEF-CTNGQTDRSA-N 2 1 360.505 4.045 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000417365643 1090847183 /nfs/dbraw/zinc/84/71/83/1090847183.db2.gz OBYODQQDSMDMAX-BBHUYCHWSA-N 2 1 350.506 4.291 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)cc1 ZINC000584844697 1090941003 /nfs/dbraw/zinc/94/10/03/1090941003.db2.gz JAEQBZKGQVZZEJ-UHFFFAOYSA-N 2 1 356.363 4.076 20 0 FIADMP CCC[N@@H+](CCC1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC001207486821 1090993517 /nfs/dbraw/zinc/99/35/17/1090993517.db2.gz NTETXWIJDMWXCJ-UHFFFAOYSA-N 2 1 353.348 4.393 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000236864526 1090995981 /nfs/dbraw/zinc/99/59/81/1090995981.db2.gz ZNNKSJYPMXSBQL-KSSFIOAISA-N 2 1 359.341 4.220 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000236864526 1090995985 /nfs/dbraw/zinc/99/59/85/1090995985.db2.gz ZNNKSJYPMXSBQL-KSSFIOAISA-N 2 1 359.341 4.220 20 0 FIADMP CCn1cncc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000418042484 1091035673 /nfs/dbraw/zinc/03/56/73/1091035673.db2.gz LSWJHIYQQQKOKC-VZKPYBMVSA-N 2 1 372.944 4.260 20 0 FIADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500129807 1091056087 /nfs/dbraw/zinc/05/60/87/1091056087.db2.gz BRZIEETXJVXOFS-NRFANRHFSA-N 2 1 365.993 4.385 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525828 1091182443 /nfs/dbraw/zinc/18/24/43/1091182443.db2.gz IYXDJGQIIOCBCY-XUZZJYLKSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551003 1091245268 /nfs/dbraw/zinc/24/52/68/1091245268.db2.gz KCGCMNGZXRCDHD-FRVYCDFKSA-N 2 1 355.570 4.082 20 0 FIADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390551003 1091245277 /nfs/dbraw/zinc/24/52/77/1091245277.db2.gz KCGCMNGZXRCDHD-FRVYCDFKSA-N 3 1 355.570 4.082 20 0 FIADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551003 1091245287 /nfs/dbraw/zinc/24/52/87/1091245287.db2.gz KCGCMNGZXRCDHD-FRVYCDFKSA-N 3 1 355.570 4.082 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556036 1091248276 /nfs/dbraw/zinc/24/82/76/1091248276.db2.gz LJVHSRNKZAARIU-JOCHJYFZSA-N 2 1 365.521 4.035 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556036 1091248288 /nfs/dbraw/zinc/24/82/88/1091248288.db2.gz LJVHSRNKZAARIU-JOCHJYFZSA-N 2 1 365.521 4.035 20 0 FIADMP CN(C)c1cc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000500414433 1091467937 /nfs/dbraw/zinc/46/79/37/1091467937.db2.gz CENWJWDJQNTHNR-UHFFFAOYSA-N 2 1 374.488 4.032 20 0 FIADMP CN(C)c1cc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000500414433 1091467940 /nfs/dbraw/zinc/46/79/40/1091467940.db2.gz CENWJWDJQNTHNR-UHFFFAOYSA-N 2 1 374.488 4.032 20 0 FIADMP C[C@@H](c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474367 1091592271 /nfs/dbraw/zinc/59/22/71/1091592271.db2.gz IDDUSTUFLFTNHK-QFBILLFUSA-N 2 1 370.459 4.039 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC001167765284 1091596148 /nfs/dbraw/zinc/59/61/48/1091596148.db2.gz DCLXCHSOTWEDME-UHFFFAOYSA-N 2 1 362.315 4.399 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC001167765284 1091596154 /nfs/dbraw/zinc/59/61/54/1091596154.db2.gz DCLXCHSOTWEDME-UHFFFAOYSA-N 2 1 362.315 4.399 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](C)c3ccccc3)CC2)cs1 ZINC000194450664 1091704998 /nfs/dbraw/zinc/70/49/98/1091704998.db2.gz DGIDZYKRHNRGNP-QGZVFWFLSA-N 2 1 357.567 4.311 20 0 FIADMP C[C@@H](c1nc2ccccc2o1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236291 1091945253 /nfs/dbraw/zinc/94/52/53/1091945253.db2.gz GJJOHFLJARPCAI-MBSDFSHPSA-N 2 1 361.489 4.487 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000512248135 1091960067 /nfs/dbraw/zinc/96/00/67/1091960067.db2.gz DBWFNJCGDPCJDT-UHFFFAOYSA-N 2 1 359.558 4.066 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000512248135 1091960069 /nfs/dbraw/zinc/96/00/69/1091960069.db2.gz DBWFNJCGDPCJDT-UHFFFAOYSA-N 2 1 359.558 4.066 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-n2cccn2)cc1 ZINC000512317911 1092028541 /nfs/dbraw/zinc/02/85/41/1092028541.db2.gz HDSVJUKWNIPNKW-CMKODMSKSA-N 2 1 352.526 4.176 20 0 FIADMP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000428166783 1092220078 /nfs/dbraw/zinc/22/00/78/1092220078.db2.gz STHQMSRRQKCQLQ-KDOFPFPSSA-N 2 1 361.436 4.065 20 0 FIADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000093088744 1092230665 /nfs/dbraw/zinc/23/06/65/1092230665.db2.gz AVKXCQJZIRPVEX-UHFFFAOYSA-N 2 1 367.537 4.051 20 0 FIADMP CCOc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc(Cl)c1OC ZINC000520950463 1092375671 /nfs/dbraw/zinc/37/56/71/1092375671.db2.gz WBOOJQUDPPSOJV-MRXNPFEDSA-N 2 1 368.949 4.492 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000665271633 1092421269 /nfs/dbraw/zinc/42/12/69/1092421269.db2.gz PMMPUFPVFVSJGG-CDIGIKMISA-N 2 1 361.533 4.146 20 0 FIADMP COc1ccc([C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665273984 1092440561 /nfs/dbraw/zinc/44/05/61/1092440561.db2.gz HERWSIPNRLTERM-KNCVXQGMSA-N 2 1 350.453 4.046 20 0 FIADMP CC(C)CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccoc1 ZINC000428245684 1092463012 /nfs/dbraw/zinc/46/30/12/1092463012.db2.gz MHQZXBJGKZQYGU-JOCHJYFZSA-N 2 1 356.510 4.379 20 0 FIADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000428248512 1092574594 /nfs/dbraw/zinc/57/45/94/1092574594.db2.gz LXAAIIDQNFNGDM-HLAWJBBLSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000521229850 1092578937 /nfs/dbraw/zinc/57/89/37/1092578937.db2.gz JRUNTVBZOOIINU-FQEVSTJZSA-N 2 1 360.505 4.429 20 0 FIADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000521229850 1092578948 /nfs/dbraw/zinc/57/89/48/1092578948.db2.gz JRUNTVBZOOIINU-FQEVSTJZSA-N 2 1 360.505 4.429 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000549709471 1092715417 /nfs/dbraw/zinc/71/54/17/1092715417.db2.gz FGLWQMQQZZQCLK-UHFFFAOYSA-N 2 1 363.505 4.395 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000549709471 1092715424 /nfs/dbraw/zinc/71/54/24/1092715424.db2.gz FGLWQMQQZZQCLK-UHFFFAOYSA-N 2 1 363.505 4.395 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442790294 1092768700 /nfs/dbraw/zinc/76/87/00/1092768700.db2.gz LMGBPVAOOUVQFK-VQIMIIECSA-N 2 1 370.459 4.042 20 0 FIADMP Cc1ccc(C)c([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2)c1 ZINC000442893251 1092845895 /nfs/dbraw/zinc/84/58/95/1092845895.db2.gz XFKNQCCJJRLDLJ-HSZRJFAPSA-N 2 1 365.565 4.008 20 0 FIADMP C[N@H+](Cc1nc2ccc(F)cc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000432919356 1092951303 /nfs/dbraw/zinc/95/13/03/1092951303.db2.gz UDHVHRYSDZEHAU-UHFFFAOYSA-N 2 1 370.497 4.179 20 0 FIADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)CC1 ZINC000512636961 1093056214 /nfs/dbraw/zinc/05/62/14/1093056214.db2.gz QEABCGVVPJVQOE-RMRNXIRCSA-N 2 1 368.565 4.301 20 0 FIADMP COC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512648504 1093069483 /nfs/dbraw/zinc/06/94/83/1093069483.db2.gz NQPZAFHXJZZFDZ-KICKQETISA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3cn(C)nc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168016306 1093081989 /nfs/dbraw/zinc/08/19/89/1093081989.db2.gz UTRDNHCSBFNCQR-OPMZPASUSA-N 2 1 362.521 4.105 20 0 FIADMP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512660445 1093096641 /nfs/dbraw/zinc/09/66/41/1093096641.db2.gz NGNBYEBUKUSXJH-FDFHNCONSA-N 2 1 358.570 4.066 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sc1C ZINC000512666369 1093105734 /nfs/dbraw/zinc/10/57/34/1093105734.db2.gz KFBQXQHTJHVQMR-PCCBWWKXSA-N 2 1 369.578 4.193 20 0 FIADMP C[C@@H]1CC([NH2+][C@@H]2CCc3ccc(O)cc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020323 1093205269 /nfs/dbraw/zinc/20/52/69/1093205269.db2.gz LZCCJLLJARFPMN-SEPYTNNBSA-N 2 1 350.506 4.411 20 0 FIADMP C[C@H]1CC([NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168020385 1093211998 /nfs/dbraw/zinc/21/19/98/1093211998.db2.gz MUAFSTKDJYBUGY-SFTDATJTSA-N 2 1 357.586 4.284 20 0 FIADMP CC(=O)c1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168020474 1093212708 /nfs/dbraw/zinc/21/27/08/1093212708.db2.gz NCNSYFZXGOZKAS-ROUUACIJSA-N 2 1 350.506 4.420 20 0 FIADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512772584 1093315951 /nfs/dbraw/zinc/31/59/51/1093315951.db2.gz CDJPORCYRWCUKK-OXJNMPFZSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512772584 1093315960 /nfs/dbraw/zinc/31/59/60/1093315960.db2.gz CDJPORCYRWCUKK-OXJNMPFZSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000512772584 1093315968 /nfs/dbraw/zinc/31/59/68/1093315968.db2.gz CDJPORCYRWCUKK-OXJNMPFZSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000512772584 1093315975 /nfs/dbraw/zinc/31/59/75/1093315975.db2.gz CDJPORCYRWCUKK-OXJNMPFZSA-N 2 1 355.913 4.337 20 0 FIADMP Cc1ccc2ncc(CN(C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cc2c1 ZINC000411585565 1093376105 /nfs/dbraw/zinc/37/61/05/1093376105.db2.gz TUYOVMGDKUZHCG-REWPJTCUSA-N 2 1 360.505 4.063 20 0 FIADMP Cc1ccc2ncc(CN(C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cc2c1 ZINC000411585565 1093376115 /nfs/dbraw/zinc/37/61/15/1093376115.db2.gz TUYOVMGDKUZHCG-REWPJTCUSA-N 2 1 360.505 4.063 20 0 FIADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000443646766 1093386571 /nfs/dbraw/zinc/38/65/71/1093386571.db2.gz WSEBJRDWUGSVEN-REWPJTCUSA-N 2 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646766 1093386577 /nfs/dbraw/zinc/38/65/77/1093386577.db2.gz WSEBJRDWUGSVEN-REWPJTCUSA-N 3 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646766 1093386586 /nfs/dbraw/zinc/38/65/86/1093386586.db2.gz WSEBJRDWUGSVEN-REWPJTCUSA-N 3 1 361.618 4.107 20 0 FIADMP CCOc1cc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)ccc1O ZINC001168026890 1093495959 /nfs/dbraw/zinc/49/59/59/1093495959.db2.gz LXDXUEVXFJUNAM-QZTJIDSGSA-N 2 1 368.521 4.322 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[N@H+]1Cc1ccccc1 ZINC000433310821 1093565655 /nfs/dbraw/zinc/56/56/55/1093565655.db2.gz JRLAMZDTQVPBMZ-IEBWSBKVSA-N 2 1 364.493 4.060 20 0 FIADMP Cc1ccc(CCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000474269805 1093640158 /nfs/dbraw/zinc/64/01/58/1093640158.db2.gz BRFCHICACWPCJV-UHFFFAOYSA-N 2 1 351.538 4.167 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032150 1093655621 /nfs/dbraw/zinc/65/56/21/1093655621.db2.gz FOUIWGDMTPTRGO-RMFSNUHRSA-N 2 1 367.512 4.284 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(O)cc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031820 1093655735 /nfs/dbraw/zinc/65/57/35/1093655735.db2.gz CLPBRVIPCLDAES-HATOLVCRSA-N 2 1 364.533 4.499 20 0 FIADMP CCC(CC)[N@H+]1CC[C@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168033367 1093713255 /nfs/dbraw/zinc/71/32/55/1093713255.db2.gz KRTQPGLOORYSOS-SBHAEUEKSA-N 2 1 357.586 4.281 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000067222991 1093718791 /nfs/dbraw/zinc/71/87/91/1093718791.db2.gz GACPETNIIIACKD-GOSISDBHSA-N 2 1 374.550 4.157 20 0 FIADMP C[C@@H]1C[C@@H](N(CC[NH3+])c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034063 1093735087 /nfs/dbraw/zinc/73/50/87/1093735087.db2.gz OEMDPWWNWOMVQT-OPMZPASUSA-N 2 1 355.501 4.032 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474427224 1093766509 /nfs/dbraw/zinc/76/65/09/1093766509.db2.gz NZLPDCIGSADLMA-MRXNPFEDSA-N 2 1 356.341 4.036 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000474480202 1093826402 /nfs/dbraw/zinc/82/64/02/1093826402.db2.gz ZOMDBWKNXGJTCK-GUDVDZBRSA-N 2 1 362.558 4.440 20 0 FIADMP C[N@H+](Cc1cccc(OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513159691 1093936385 /nfs/dbraw/zinc/93/63/85/1093936385.db2.gz MHSOBNNWFPJIKU-CBQGHPETSA-N 2 1 350.506 4.323 20 0 FIADMP C[N@@H+](Cc1cccc(OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513159691 1093936387 /nfs/dbraw/zinc/93/63/87/1093936387.db2.gz MHSOBNNWFPJIKU-CBQGHPETSA-N 2 1 350.506 4.323 20 0 FIADMP C[NH+](Cc1cccc(OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513159691 1093936390 /nfs/dbraw/zinc/93/63/90/1093936390.db2.gz MHSOBNNWFPJIKU-CBQGHPETSA-N 2 1 350.506 4.323 20 0 FIADMP C[NH+](Cc1cccc(OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513159691 1093936391 /nfs/dbraw/zinc/93/63/91/1093936391.db2.gz MHSOBNNWFPJIKU-CBQGHPETSA-N 2 1 350.506 4.323 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000513232178 1094014543 /nfs/dbraw/zinc/01/45/43/1094014543.db2.gz GLWJFMKKLCBWCB-LAUBAEHRSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@H+]1Cc1ccccc1 ZINC000513232178 1094014547 /nfs/dbraw/zinc/01/45/47/1094014547.db2.gz GLWJFMKKLCBWCB-LAUBAEHRSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494781 1094163548 /nfs/dbraw/zinc/16/35/48/1094163548.db2.gz JRLNZVOTHZLVBI-CTNGQTDRSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000513494781 1094163552 /nfs/dbraw/zinc/16/35/52/1094163552.db2.gz JRLNZVOTHZLVBI-CTNGQTDRSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@H+]1Cc1ccccc1 ZINC000513494781 1094163559 /nfs/dbraw/zinc/16/35/59/1094163559.db2.gz JRLNZVOTHZLVBI-CTNGQTDRSA-N 2 1 374.532 4.467 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513487305 1094165984 /nfs/dbraw/zinc/16/59/84/1094165984.db2.gz BAHDJNXHDOFFOR-WIYYLYMNSA-N 2 1 362.521 4.033 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513500013 1094172948 /nfs/dbraw/zinc/17/29/48/1094172948.db2.gz KKGFZXOORXKSNV-GCJKJVERSA-N 2 1 365.521 4.035 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(C(C)(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000513544977 1094205994 /nfs/dbraw/zinc/20/59/94/1094205994.db2.gz NNUDMEJHNGOFQJ-ICSRJNTNSA-N 2 1 354.542 4.028 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000513665930 1094263191 /nfs/dbraw/zinc/26/31/91/1094263191.db2.gz INMHQSFRKJARLE-UHFFFAOYSA-N 2 1 374.532 4.405 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@H]2CCC[C@H]21 ZINC000513667012 1094263706 /nfs/dbraw/zinc/26/37/06/1094263706.db2.gz PFTMIWSXYNXPLW-BHIFYINESA-N 2 1 369.553 4.168 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000513697636 1094351533 /nfs/dbraw/zinc/35/15/33/1094351533.db2.gz PZKOCGDEBXPEFH-YUXAGFNASA-N 2 1 353.485 4.001 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000513697636 1094351546 /nfs/dbraw/zinc/35/15/46/1094351546.db2.gz PZKOCGDEBXPEFH-YUXAGFNASA-N 2 1 353.485 4.001 20 0 FIADMP C[N@H+](Cc1ncc(-c2ccccc2)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501070296 1094482945 /nfs/dbraw/zinc/48/29/45/1094482945.db2.gz SLVZWMOXLMHTKX-UHFFFAOYSA-N 2 1 362.477 4.085 20 0 FIADMP CCOC(=O)C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039984 1094483374 /nfs/dbraw/zinc/48/33/74/1094483374.db2.gz JJSUWNLTJYZJFD-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039984 1094483380 /nfs/dbraw/zinc/48/33/80/1094483380.db2.gz JJSUWNLTJYZJFD-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039984 1094483387 /nfs/dbraw/zinc/48/33/87/1094483387.db2.gz JJSUWNLTJYZJFD-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP COCC[C@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501092901 1094500976 /nfs/dbraw/zinc/50/09/76/1094500976.db2.gz XZSNAWRAIMNWDV-JOCHJYFZSA-N 2 1 353.510 4.008 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000474709473 1094533579 /nfs/dbraw/zinc/53/35/79/1094533579.db2.gz HAVYPWIJPKSBCX-UHFFFAOYSA-N 2 1 365.290 4.330 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000474709473 1094533584 /nfs/dbraw/zinc/53/35/84/1094533584.db2.gz HAVYPWIJPKSBCX-UHFFFAOYSA-N 2 1 365.290 4.330 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000474734125 1094547337 /nfs/dbraw/zinc/54/73/37/1094547337.db2.gz ZQHISCNFSONIKZ-QRGRWYIGSA-N 2 1 372.553 4.314 20 0 FIADMP O[C@H]1CC[N@H+](Cc2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)C1 ZINC000664238657 1094613432 /nfs/dbraw/zinc/61/34/32/1094613432.db2.gz JFDVNJRDGJQYHC-SFHVURJKSA-N 2 1 367.880 4.067 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)C1 ZINC000664238657 1094613441 /nfs/dbraw/zinc/61/34/41/1094613441.db2.gz JFDVNJRDGJQYHC-SFHVURJKSA-N 2 1 367.880 4.067 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000474797347 1094616727 /nfs/dbraw/zinc/61/67/27/1094616727.db2.gz ZCTXHPASSOINBR-HYVNUMGLSA-N 2 1 370.990 4.373 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1 ZINC000474799239 1094618610 /nfs/dbraw/zinc/61/86/10/1094618610.db2.gz ODAVQANIDUXGQY-MOPGFXCFSA-N 2 1 374.569 4.200 20 0 FIADMP Cc1cc(N2CCC([NH2+]C[C@H](CC(C)C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000474878935 1094825823 /nfs/dbraw/zinc/82/58/23/1094825823.db2.gz OWGQOAKRAPNUTC-NRFANRHFSA-N 2 1 366.553 4.482 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297688 1094856152 /nfs/dbraw/zinc/85/61/52/1094856152.db2.gz ZDJDWUXSHUPAHA-CECAUBDESA-N 2 1 361.489 4.151 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297688 1094856172 /nfs/dbraw/zinc/85/61/72/1094856172.db2.gz ZDJDWUXSHUPAHA-CECAUBDESA-N 2 1 361.489 4.151 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000420299834 1094868783 /nfs/dbraw/zinc/86/87/83/1094868783.db2.gz JNGLETVLAVWJLZ-GDBMZVCRSA-N 2 1 355.507 4.040 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000420299834 1094868800 /nfs/dbraw/zinc/86/88/00/1094868800.db2.gz JNGLETVLAVWJLZ-GDBMZVCRSA-N 2 1 355.507 4.040 20 0 FIADMP Clc1ccc(CCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000420313754 1094878113 /nfs/dbraw/zinc/87/81/13/1094878113.db2.gz PVUSAXUAVSTZKU-OAQYLSRUSA-N 2 1 357.929 4.312 20 0 FIADMP Cc1nc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000420316159 1094879096 /nfs/dbraw/zinc/87/90/96/1094879096.db2.gz XZETYZARHDLIOK-PLYYQAHHSA-N 2 1 359.901 4.424 20 0 FIADMP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000501935882 1095018010 /nfs/dbraw/zinc/01/80/10/1095018010.db2.gz QSAZBELBTVPRSU-QGZVFWFLSA-N 2 1 358.913 4.066 20 0 FIADMP C[C@@H]1C[C@@]1([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000420927665 1095171545 /nfs/dbraw/zinc/17/15/45/1095171545.db2.gz ADPLMPNKJZAEMS-VGSWGCGISA-N 2 1 370.924 4.197 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000502279869 1095299276 /nfs/dbraw/zinc/29/92/76/1095299276.db2.gz FRMJMRAICJBJIV-DENIHFKCSA-N 2 1 356.554 4.357 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709343 1095747188 /nfs/dbraw/zinc/74/71/88/1095747188.db2.gz WQSFRXCGLWHSJF-TZIWHRDSSA-N 2 1 366.553 4.213 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709343 1095747202 /nfs/dbraw/zinc/74/72/02/1095747202.db2.gz WQSFRXCGLWHSJF-TZIWHRDSSA-N 2 1 366.553 4.213 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051039 1095768724 /nfs/dbraw/zinc/76/87/24/1095768724.db2.gz FNWXLIYUFFVCMZ-SFTDATJTSA-N 3 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[N@H+](C)C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051039 1095768738 /nfs/dbraw/zinc/76/87/38/1095768738.db2.gz FNWXLIYUFFVCMZ-SFTDATJTSA-N 2 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051039 1095768748 /nfs/dbraw/zinc/76/87/48/1095768748.db2.gz FNWXLIYUFFVCMZ-SFTDATJTSA-N 2 1 371.613 4.480 20 0 FIADMP C[C@@H]1CC([N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051052 1095770720 /nfs/dbraw/zinc/77/07/20/1095770720.db2.gz FRJBCFMRNTWGPJ-GGPKGHCWSA-N 2 1 372.553 4.092 20 0 FIADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001279144952 1095886057 /nfs/dbraw/zinc/88/60/57/1095886057.db2.gz RPOCHHJUMJZLQL-UHFFFAOYSA-N 2 1 359.514 4.079 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccncc1Cl ZINC000421820815 1095934599 /nfs/dbraw/zinc/93/45/99/1095934599.db2.gz NZIKAHSCYCGHIP-MRXNPFEDSA-N 2 1 361.917 4.306 20 0 FIADMP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000503382583 1096381407 /nfs/dbraw/zinc/38/14/07/1096381407.db2.gz JCPUFQWTKNKOGZ-SFHVURJKSA-N 2 1 362.477 4.254 20 0 FIADMP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000503382583 1096381414 /nfs/dbraw/zinc/38/14/14/1096381414.db2.gz JCPUFQWTKNKOGZ-SFHVURJKSA-N 2 1 362.477 4.254 20 0 FIADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000503439439 1096401921 /nfs/dbraw/zinc/40/19/21/1096401921.db2.gz VNMOBEDQUXWIPV-QGZVFWFLSA-N 2 1 368.525 4.171 20 0 FIADMP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000503439437 1096402538 /nfs/dbraw/zinc/40/25/38/1096402538.db2.gz VNMOBEDQUXWIPV-KRWDZBQOSA-N 2 1 368.525 4.171 20 0 FIADMP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422695314 1096453744 /nfs/dbraw/zinc/45/37/44/1096453744.db2.gz PJUZAKDGMYEBLZ-UTKZUKDTSA-N 2 1 369.509 4.140 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422698030 1096453920 /nfs/dbraw/zinc/45/39/20/1096453920.db2.gz XHRHYODOBHRUDG-QZTJIDSGSA-N 2 1 355.482 4.022 20 0 FIADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC000422723300 1096471770 /nfs/dbraw/zinc/47/17/70/1096471770.db2.gz QUXKHAZISRFMBS-ROUUACIJSA-N 2 1 372.394 4.126 20 0 FIADMP FC(F)Oc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422763030 1096490855 /nfs/dbraw/zinc/49/08/55/1096490855.db2.gz IRNNXVDSTKTANE-WMWLNJEOSA-N 2 1 358.432 4.250 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000422761324 1096491146 /nfs/dbraw/zinc/49/11/46/1096491146.db2.gz RBRMZYQUFKOYNV-YHJVDBJQSA-N 2 1 360.860 4.386 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(O[C@H](C)CC(C)C)c1 ZINC000422871179 1096517150 /nfs/dbraw/zinc/51/71/50/1096517150.db2.gz CPYFYTDSDNKJAI-PSWRPDDJSA-N 2 1 374.569 4.055 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422925094 1096526352 /nfs/dbraw/zinc/52/63/52/1096526352.db2.gz VBVHYYSJBCSRJU-DLBZAZTESA-N 2 1 352.526 4.396 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1Cl ZINC000422917434 1096532732 /nfs/dbraw/zinc/53/27/32/1096532732.db2.gz DWBNGYFQFRXAAP-WSXQUGQNSA-N 2 1 360.860 4.386 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NCC1([NH3+])CCCCC1)C1CCCCC1 ZINC000414711729 1096549475 /nfs/dbraw/zinc/54/94/75/1096549475.db2.gz MQCUHAGFKLYQPQ-UHFFFAOYSA-N 2 1 372.557 4.234 20 0 FIADMP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414712180 1096553139 /nfs/dbraw/zinc/55/31/39/1096553139.db2.gz NGWQYDGSHXVBRO-SFHVURJKSA-N 2 1 360.546 4.090 20 0 FIADMP C[C@H]([NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1c[nH+]ccc1N ZINC000423059069 1096560590 /nfs/dbraw/zinc/56/05/90/1096560590.db2.gz KXKYKIKLFZNFMF-NSHDSACASA-N 2 1 353.363 4.034 20 0 FIADMP CCc1ccc([C@H](CN[C@H](C)c2ccc(C[NH3+])nc2C)[NH+](CC)CC)cc1 ZINC000423121683 1096578678 /nfs/dbraw/zinc/57/86/78/1096578678.db2.gz BAPXNGWXRBXUCD-HXOBKFHXSA-N 2 1 368.569 4.145 20 0 FIADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122105 1096578746 /nfs/dbraw/zinc/57/87/46/1096578746.db2.gz KESWBENDVBKENL-ZCNNSNEGSA-N 2 1 362.439 4.491 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503909254 1096593143 /nfs/dbraw/zinc/59/31/43/1096593143.db2.gz LEIKDJJSYKQBRF-NXWXRZEISA-N 2 1 352.469 4.037 20 0 FIADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423173135 1096603247 /nfs/dbraw/zinc/60/32/47/1096603247.db2.gz XAZHKFIUQPAHQM-VHDGCEQUSA-N 2 1 357.723 4.113 20 0 FIADMP Clc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCS2 ZINC000423181907 1096607266 /nfs/dbraw/zinc/60/72/66/1096607266.db2.gz DHNMWYHOMGUWGJ-GOSISDBHSA-N 2 1 361.942 4.432 20 0 FIADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)cs2)cs1 ZINC000423189321 1096610610 /nfs/dbraw/zinc/61/06/10/1096610610.db2.gz PDAPEQCNIBNSTG-CQSZACIVSA-N 2 1 372.563 4.406 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265779 1096626942 /nfs/dbraw/zinc/62/69/42/1096626942.db2.gz RIYVRMKNABSRGU-JXFKEZNVSA-N 2 1 360.546 4.119 20 0 FIADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2ccccc2)s1 ZINC000423506957 1096700811 /nfs/dbraw/zinc/70/08/11/1096700811.db2.gz JAXNYYRRKAVNIH-KKXNLOMOSA-N 2 1 369.578 4.282 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423512607 1096710369 /nfs/dbraw/zinc/71/03/69/1096710369.db2.gz KUZSEGKCARKLLC-KGLIPLIRSA-N 2 1 350.915 4.098 20 0 FIADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000504561307 1096809703 /nfs/dbraw/zinc/80/97/03/1096809703.db2.gz QEHXJOLGJMJAKL-JOCHJYFZSA-N 2 1 371.569 4.055 20 0 FIADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000504561307 1096809712 /nfs/dbraw/zinc/80/97/12/1096809712.db2.gz QEHXJOLGJMJAKL-JOCHJYFZSA-N 2 1 371.569 4.055 20 0 FIADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000504561307 1096809721 /nfs/dbraw/zinc/80/97/21/1096809721.db2.gz QEHXJOLGJMJAKL-JOCHJYFZSA-N 2 1 371.569 4.055 20 0 FIADMP Fc1cc(Br)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960096 1098632035 /nfs/dbraw/zinc/63/20/35/1098632035.db2.gz WDJMBMVSLWYIKQ-ALOPSCKCSA-N 2 1 367.306 4.083 20 0 FIADMP FC(F)(F)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960165 1098695793 /nfs/dbraw/zinc/69/57/93/1098695793.db2.gz WPBGIRBTKCZMKA-YQQQUEKLSA-N 2 1 352.444 4.243 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650113 1098806454 /nfs/dbraw/zinc/80/64/54/1098806454.db2.gz JFMUTVYOWHAATP-LEWJYISDSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650113 1098806468 /nfs/dbraw/zinc/80/64/68/1098806468.db2.gz JFMUTVYOWHAATP-LEWJYISDSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]([N@@H+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650113 1098806482 /nfs/dbraw/zinc/80/64/82/1098806482.db2.gz JFMUTVYOWHAATP-LEWJYISDSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]([N@H+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650113 1098806496 /nfs/dbraw/zinc/80/64/96/1098806496.db2.gz JFMUTVYOWHAATP-LEWJYISDSA-N 2 1 356.579 4.403 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288033 1098903632 /nfs/dbraw/zinc/90/36/32/1098903632.db2.gz DNISEZHZTMEHJA-UZLBHIALSA-N 2 1 366.534 4.281 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288033 1098903634 /nfs/dbraw/zinc/90/36/34/1098903634.db2.gz DNISEZHZTMEHJA-UZLBHIALSA-N 2 1 366.534 4.281 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000533271797 1098922340 /nfs/dbraw/zinc/92/23/40/1098922340.db2.gz ZPTNQFWUZVFGCH-GOSISDBHSA-N 2 1 367.537 4.219 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000533310610 1098946451 /nfs/dbraw/zinc/94/64/51/1098946451.db2.gz CPVQZTLISUAYCY-UTKZUKDTSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000533310610 1098946453 /nfs/dbraw/zinc/94/64/53/1098946453.db2.gz CPVQZTLISUAYCY-UTKZUKDTSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310610 1098946456 /nfs/dbraw/zinc/94/64/56/1098946456.db2.gz CPVQZTLISUAYCY-UTKZUKDTSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310610 1098946458 /nfs/dbraw/zinc/94/64/58/1098946458.db2.gz CPVQZTLISUAYCY-UTKZUKDTSA-N 2 1 356.485 4.319 20 0 FIADMP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534664 1099161747 /nfs/dbraw/zinc/16/17/47/1099161747.db2.gz ARTBFBLRCDTAGY-MGPUTAFESA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534664 1099161754 /nfs/dbraw/zinc/16/17/54/1099161754.db2.gz ARTBFBLRCDTAGY-MGPUTAFESA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000533534664 1099161768 /nfs/dbraw/zinc/16/17/68/1099161768.db2.gz ARTBFBLRCDTAGY-MGPUTAFESA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000533534664 1099161776 /nfs/dbraw/zinc/16/17/76/1099161776.db2.gz ARTBFBLRCDTAGY-MGPUTAFESA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534666 1099163130 /nfs/dbraw/zinc/16/31/30/1099163130.db2.gz ARTBFBLRCDTAGY-YWZLYKJASA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534666 1099163136 /nfs/dbraw/zinc/16/31/36/1099163136.db2.gz ARTBFBLRCDTAGY-YWZLYKJASA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000533534666 1099163148 /nfs/dbraw/zinc/16/31/48/1099163148.db2.gz ARTBFBLRCDTAGY-YWZLYKJASA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000533534666 1099163153 /nfs/dbraw/zinc/16/31/53/1099163153.db2.gz ARTBFBLRCDTAGY-YWZLYKJASA-N 2 1 355.913 4.337 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000247132244 1099385226 /nfs/dbraw/zinc/38/52/26/1099385226.db2.gz ASWNEWYGHYDTCT-UQASEVPWSA-N 2 1 371.550 4.440 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000247132244 1099385236 /nfs/dbraw/zinc/38/52/36/1099385236.db2.gz ASWNEWYGHYDTCT-UQASEVPWSA-N 2 1 371.550 4.440 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4ccccc43)CC2)cs1 ZINC000161773613 1099534912 /nfs/dbraw/zinc/53/49/12/1099534912.db2.gz AMYKSLDFIHHILP-HXUWFJFHSA-N 2 1 355.551 4.195 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(OC)cc3)CC2)cs1 ZINC000161791543 1099538280 /nfs/dbraw/zinc/53/82/80/1099538280.db2.gz RTYHPBVIXSPLOP-INIZCTEOSA-N 2 1 373.566 4.277 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542643 1099564815 /nfs/dbraw/zinc/56/48/15/1099564815.db2.gz GLNXZSPHRLFCOY-ROUUACIJSA-N 2 1 353.510 4.027 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542643 1099564825 /nfs/dbraw/zinc/56/48/25/1099564825.db2.gz GLNXZSPHRLFCOY-ROUUACIJSA-N 2 1 353.510 4.027 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542643 1099564833 /nfs/dbraw/zinc/56/48/33/1099564833.db2.gz GLNXZSPHRLFCOY-ROUUACIJSA-N 2 1 353.510 4.027 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542643 1099564843 /nfs/dbraw/zinc/56/48/43/1099564843.db2.gz GLNXZSPHRLFCOY-ROUUACIJSA-N 2 1 353.510 4.027 20 0 FIADMP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000261893961 1099673938 /nfs/dbraw/zinc/67/39/38/1099673938.db2.gz VUWUMQXEJIKHTN-NRFANRHFSA-N 2 1 374.912 4.098 20 0 FIADMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000261893961 1099673943 /nfs/dbraw/zinc/67/39/43/1099673943.db2.gz VUWUMQXEJIKHTN-NRFANRHFSA-N 2 1 374.912 4.098 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(C)c(F)c(C)c3)CC2)nc(C)[nH+]1 ZINC000162321496 1099690153 /nfs/dbraw/zinc/69/01/53/1099690153.db2.gz MTZYMIDZTHEXOL-INIZCTEOSA-N 2 1 356.489 4.169 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516815623 1099823081 /nfs/dbraw/zinc/82/30/81/1099823081.db2.gz ZIDQXYMPIYPHTJ-UHFFFAOYSA-N 2 1 355.404 4.098 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516815623 1099823092 /nfs/dbraw/zinc/82/30/92/1099823092.db2.gz ZIDQXYMPIYPHTJ-UHFFFAOYSA-N 2 1 355.404 4.098 20 0 FIADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693253 1099826849 /nfs/dbraw/zinc/82/68/49/1099826849.db2.gz CQOQVFOKGYJMOR-LGVFNWMJSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693253 1099826861 /nfs/dbraw/zinc/82/68/61/1099826861.db2.gz CQOQVFOKGYJMOR-LGVFNWMJSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693253 1099826870 /nfs/dbraw/zinc/82/68/70/1099826870.db2.gz CQOQVFOKGYJMOR-LGVFNWMJSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693253 1099826878 /nfs/dbraw/zinc/82/68/78/1099826878.db2.gz CQOQVFOKGYJMOR-LGVFNWMJSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693253 1099826890 /nfs/dbraw/zinc/82/68/90/1099826890.db2.gz CQOQVFOKGYJMOR-LGVFNWMJSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702682 1099857965 /nfs/dbraw/zinc/85/79/65/1099857965.db2.gz WHKNJEUQZNNMDK-GHTZIAJQSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714130 1099883340 /nfs/dbraw/zinc/88/33/40/1099883340.db2.gz URYPLNOZYSXPLR-WIYYLYMNSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713932 1099886018 /nfs/dbraw/zinc/88/60/18/1099886018.db2.gz AQHMRHPIGYHDDE-PXNSSMCTSA-N 2 1 374.475 4.331 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709955 1099899781 /nfs/dbraw/zinc/89/97/81/1099899781.db2.gz KMABGVMTWSFDSH-UGKGYDQZSA-N 2 1 351.538 4.379 20 0 FIADMP COc1cc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000508717885 1099908466 /nfs/dbraw/zinc/90/84/66/1099908466.db2.gz MQRAWUKTVMYHBN-KNQAVFIVSA-N 2 1 352.522 4.046 20 0 FIADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000508720924 1099939514 /nfs/dbraw/zinc/93/95/14/1099939514.db2.gz NWSOJSNYWGPJPN-HFMPRLQTSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720924 1099939516 /nfs/dbraw/zinc/93/95/16/1099939516.db2.gz NWSOJSNYWGPJPN-HFMPRLQTSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720924 1099939519 /nfs/dbraw/zinc/93/95/19/1099939519.db2.gz NWSOJSNYWGPJPN-HFMPRLQTSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000508720924 1099939521 /nfs/dbraw/zinc/93/95/21/1099939521.db2.gz NWSOJSNYWGPJPN-HFMPRLQTSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000508720924 1099939524 /nfs/dbraw/zinc/93/95/24/1099939524.db2.gz NWSOJSNYWGPJPN-HFMPRLQTSA-N 2 1 365.565 4.007 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722899 1099943644 /nfs/dbraw/zinc/94/36/44/1099943644.db2.gz YQTRHQVGUUTNIR-FPOVZHCZSA-N 2 1 364.533 4.227 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722914 1099943733 /nfs/dbraw/zinc/94/37/33/1099943733.db2.gz YXOWVJJDWMAJFH-URXFXBBRSA-N 3 1 371.613 4.245 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000508722914 1099943736 /nfs/dbraw/zinc/94/37/36/1099943736.db2.gz YXOWVJJDWMAJFH-URXFXBBRSA-N 2 1 371.613 4.245 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437489247 1099952331 /nfs/dbraw/zinc/95/23/31/1099952331.db2.gz ZAJMXQZISZICCC-NRFANRHFSA-N 2 1 373.585 4.012 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)(C)c3ccccc3)CC2)oc1C ZINC000162723929 1099975758 /nfs/dbraw/zinc/97/57/58/1099975758.db2.gz FPGXIRUXQMBNAP-IBGZPJMESA-N 2 1 369.553 4.459 20 0 FIADMP C[C@@H](Nc1ccc(N2CCCC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998735 1099978399 /nfs/dbraw/zinc/97/83/99/1099978399.db2.gz XLSLOKSOUMTZRS-QUCCMNQESA-N 2 1 350.510 4.004 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000536664486 1100136236 /nfs/dbraw/zinc/13/62/36/1100136236.db2.gz FJIIBEWNFLEUIP-HXUWFJFHSA-N 2 1 370.585 4.158 20 0 FIADMP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665610 1100138636 /nfs/dbraw/zinc/13/86/36/1100138636.db2.gz UBTGQVCAOVYEQB-PGRDOPGGSA-N 2 1 373.585 4.031 20 0 FIADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665611 1100139589 /nfs/dbraw/zinc/13/95/89/1100139589.db2.gz UBTGQVCAOVYEQB-XMSQKQJNSA-N 2 1 373.585 4.031 20 0 FIADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000437760389 1100152547 /nfs/dbraw/zinc/15/25/47/1100152547.db2.gz DUCAHKKUHBVXSQ-VXKWHMMOSA-N 2 1 356.554 4.122 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628413 1100244541 /nfs/dbraw/zinc/24/45/41/1100244541.db2.gz IXHGKJJKKQZJSB-DXIQSLLYSA-N 2 1 352.522 4.356 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628413 1100244556 /nfs/dbraw/zinc/24/45/56/1100244556.db2.gz IXHGKJJKKQZJSB-DXIQSLLYSA-N 2 1 352.522 4.356 20 0 FIADMP Fc1cc(Br)cc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000459507649 1100262264 /nfs/dbraw/zinc/26/22/64/1100262264.db2.gz WIQQNPZPHQIQSF-SFHVURJKSA-N 2 1 367.306 4.256 20 0 FIADMP C[N@@H+](CCCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC1 ZINC000459582956 1100308497 /nfs/dbraw/zinc/30/84/97/1100308497.db2.gz GHSGGFFFPXFZJL-UHFFFAOYSA-N 2 1 367.541 4.024 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459571867 1100318575 /nfs/dbraw/zinc/31/85/75/1100318575.db2.gz OPOZHLGIVMCGOO-SEJPIABJSA-N 2 1 350.506 4.385 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459571867 1100318591 /nfs/dbraw/zinc/31/85/91/1100318591.db2.gz OPOZHLGIVMCGOO-SEJPIABJSA-N 2 1 350.506 4.385 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834948 1100346317 /nfs/dbraw/zinc/34/63/17/1100346317.db2.gz YUAWAHMAUFSGAA-QUCCMNQESA-N 2 1 354.542 4.199 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000536849379 1100361675 /nfs/dbraw/zinc/36/16/75/1100361675.db2.gz BVPNXBMKEACTDV-WMZHIEFXSA-N 2 1 352.522 4.128 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000536849379 1100361683 /nfs/dbraw/zinc/36/16/83/1100361683.db2.gz BVPNXBMKEACTDV-WMZHIEFXSA-N 2 1 352.522 4.128 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000536853087 1100366050 /nfs/dbraw/zinc/36/60/50/1100366050.db2.gz PRBDNBAURUGOMJ-FXAWDEMLSA-N 2 1 364.961 4.098 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000536857656 1100372713 /nfs/dbraw/zinc/37/27/13/1100372713.db2.gz LSVBYFLMPRIDOD-XHSDSOJGSA-N 2 1 358.448 4.245 20 0 FIADMP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000459656318 1100401811 /nfs/dbraw/zinc/40/18/11/1100401811.db2.gz VUKXTQQBLLEGIM-IBGZPJMESA-N 2 1 369.528 4.229 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195285 1100506469 /nfs/dbraw/zinc/50/64/69/1100506469.db2.gz BROBUOLTAHLEMB-SZVBFZGTSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195285 1100506475 /nfs/dbraw/zinc/50/64/75/1100506475.db2.gz BROBUOLTAHLEMB-SZVBFZGTSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195284 1100507316 /nfs/dbraw/zinc/50/73/16/1100507316.db2.gz BROBUOLTAHLEMB-SUMDDJOVSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195284 1100507325 /nfs/dbraw/zinc/50/73/25/1100507325.db2.gz BROBUOLTAHLEMB-SUMDDJOVSA-N 2 1 370.459 4.105 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)c1 ZINC000517629925 1100571365 /nfs/dbraw/zinc/57/13/65/1100571365.db2.gz BLGIRFPIEPKVSA-WMZHIEFXSA-N 2 1 364.533 4.227 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)c1 ZINC000517629927 1100571612 /nfs/dbraw/zinc/57/16/12/1100571612.db2.gz BLGIRFPIEPKVSA-XXBNENTESA-N 2 1 364.533 4.227 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000426036146 1100694282 /nfs/dbraw/zinc/69/42/82/1100694282.db2.gz OYKBQPWVKCRGTB-BVYCBKJFSA-N 2 1 364.533 4.195 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000426036146 1100694284 /nfs/dbraw/zinc/69/42/84/1100694284.db2.gz OYKBQPWVKCRGTB-BVYCBKJFSA-N 2 1 364.533 4.195 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC000426062578 1100756888 /nfs/dbraw/zinc/75/68/88/1100756888.db2.gz XZCGMDFJLSWASW-UZLBHIALSA-N 2 1 361.489 4.397 20 0 FIADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438829244 1100949173 /nfs/dbraw/zinc/94/91/73/1100949173.db2.gz ZJZTVZWMSMDEQF-PLYUQDFWSA-N 2 1 358.570 4.470 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000438838655 1100956125 /nfs/dbraw/zinc/95/61/25/1100956125.db2.gz FXBZEHYPVKCXBV-XPPIMPSXSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOCCc2ccccc2)C1 ZINC000506474787 1101111025 /nfs/dbraw/zinc/11/10/25/1101111025.db2.gz PPFKYGICIASALG-FYYLOGMGSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000506474787 1101111030 /nfs/dbraw/zinc/11/10/30/1101111030.db2.gz PPFKYGICIASALG-FYYLOGMGSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000506474787 1101111035 /nfs/dbraw/zinc/11/10/35/1101111035.db2.gz PPFKYGICIASALG-FYYLOGMGSA-N 2 1 358.570 4.222 20 0 FIADMP Clc1ccc(SCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964080 1101253430 /nfs/dbraw/zinc/25/34/30/1101253430.db2.gz NABLZGUVMXGKQL-AYHJJNSGSA-N 2 1 350.959 4.427 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426326518 1101274569 /nfs/dbraw/zinc/27/45/69/1101274569.db2.gz ZMBIQJQTWKLOPJ-NJDAHSKKSA-N 2 1 367.537 4.326 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426326518 1101274574 /nfs/dbraw/zinc/27/45/74/1101274574.db2.gz ZMBIQJQTWKLOPJ-NJDAHSKKSA-N 2 1 367.537 4.326 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640507 1101371340 /nfs/dbraw/zinc/37/13/40/1101371340.db2.gz LGWJDMCQCLQUOY-XMSQKQJNSA-N 2 1 365.521 4.160 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640507 1101371356 /nfs/dbraw/zinc/37/13/56/1101371356.db2.gz LGWJDMCQCLQUOY-XMSQKQJNSA-N 2 1 365.521 4.160 20 0 FIADMP O[C@@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000537014267 1101396308 /nfs/dbraw/zinc/39/63/08/1101396308.db2.gz ILZOFEFYHORCQK-FCHUYYIVSA-N 2 1 370.924 4.018 20 0 FIADMP O[C@@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000537014267 1101396318 /nfs/dbraw/zinc/39/63/18/1101396318.db2.gz ILZOFEFYHORCQK-FCHUYYIVSA-N 2 1 370.924 4.018 20 0 FIADMP COc1cccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC(C)C ZINC000518763514 1101519153 /nfs/dbraw/zinc/51/91/53/1101519153.db2.gz RTFMRJUAGMCLAY-KDURUIRLSA-N 2 1 362.558 4.330 20 0 FIADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1F ZINC000192682037 1101528311 /nfs/dbraw/zinc/52/83/11/1101528311.db2.gz GLUZBOSFRZIKDE-IHWFROFDSA-N 2 1 354.469 4.120 20 0 FIADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1F ZINC000192682037 1101528323 /nfs/dbraw/zinc/52/83/23/1101528323.db2.gz GLUZBOSFRZIKDE-IHWFROFDSA-N 2 1 354.469 4.120 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000537309156 1101634880 /nfs/dbraw/zinc/63/48/80/1101634880.db2.gz SSPULXNDHKLECZ-YSSFQJQWSA-N 2 1 356.510 4.024 20 0 FIADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000537308527 1101636907 /nfs/dbraw/zinc/63/69/07/1101636907.db2.gz RWKFQMCJLSHDHF-KRWDZBQOSA-N 2 1 354.469 4.317 20 0 FIADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000537355713 1101691261 /nfs/dbraw/zinc/69/12/61/1101691261.db2.gz AXWRGEDXWCASDF-IRFCIJBXSA-N 2 1 352.522 4.130 20 0 FIADMP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426508203 1101815306 /nfs/dbraw/zinc/81/53/06/1101815306.db2.gz HEVPONSEUGFSOL-FQEVSTJZSA-N 2 1 370.884 4.049 20 0 FIADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426508203 1101815318 /nfs/dbraw/zinc/81/53/18/1101815318.db2.gz HEVPONSEUGFSOL-FQEVSTJZSA-N 2 1 370.884 4.049 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168167700 1101819436 /nfs/dbraw/zinc/81/94/36/1101819436.db2.gz NWHCFFDKQSOTAW-ATZDWAIDSA-N 2 1 350.934 4.022 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399551 1102171059 /nfs/dbraw/zinc/17/10/59/1102171059.db2.gz UAHHTPJNUBAYOQ-GHTZIAJQSA-N 2 1 350.506 4.110 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399551 1102171063 /nfs/dbraw/zinc/17/10/63/1102171063.db2.gz UAHHTPJNUBAYOQ-GHTZIAJQSA-N 2 1 350.506 4.110 20 0 FIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C4CC4)c(C)c3)CC2)CC1 ZINC000519422577 1102187554 /nfs/dbraw/zinc/18/75/54/1102187554.db2.gz ZISLMMHUWKTPHC-UHFFFAOYSA-N 2 1 369.553 4.007 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440343144 1102218445 /nfs/dbraw/zinc/21/84/45/1102218445.db2.gz PARWIBGGMYYALR-UHFFFAOYSA-N 2 1 366.534 4.335 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@@H](C)C1 ZINC000467399100 1102229836 /nfs/dbraw/zinc/22/98/36/1102229836.db2.gz CYLUZKLHCNGIGD-QFBILLFUSA-N 2 1 372.475 4.240 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000120914899 1102279638 /nfs/dbraw/zinc/27/96/38/1102279638.db2.gz IQNQDYNAIMXSII-MRXNPFEDSA-N 3 1 366.484 4.232 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000532441729 1102329686 /nfs/dbraw/zinc/32/96/86/1102329686.db2.gz FZHKJDXWGQUDSK-CRAIPNDOSA-N 2 1 363.596 4.066 20 0 FIADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797546 1102329763 /nfs/dbraw/zinc/32/97/63/1102329763.db2.gz RXVRJZKYRODOAK-UCLAIMLFSA-N 2 1 374.326 4.330 20 0 FIADMP COc1ccc(OCCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000532467970 1102382019 /nfs/dbraw/zinc/38/20/19/1102382019.db2.gz UUMKYTVVSDKHPK-QGZVFWFLSA-N 2 1 365.477 4.309 20 0 FIADMP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121572896 1102418262 /nfs/dbraw/zinc/41/82/62/1102418262.db2.gz RBDUXVHZSUWEMU-MRXNPFEDSA-N 2 1 374.554 4.447 20 0 FIADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000532479639 1102423779 /nfs/dbraw/zinc/42/37/79/1102423779.db2.gz LJHLELNHPRDGFZ-PBHICJAKSA-N 2 1 364.942 4.176 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485514 1102426731 /nfs/dbraw/zinc/42/67/31/1102426731.db2.gz SQTLPMXQBGSCJD-CTNGQTDRSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485514 1102426739 /nfs/dbraw/zinc/42/67/39/1102426739.db2.gz SQTLPMXQBGSCJD-CTNGQTDRSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485514 1102426749 /nfs/dbraw/zinc/42/67/49/1102426749.db2.gz SQTLPMXQBGSCJD-CTNGQTDRSA-N 2 1 352.522 4.219 20 0 FIADMP Oc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc2)cc1 ZINC001167973127 1102525352 /nfs/dbraw/zinc/52/53/52/1102525352.db2.gz HHMAGBQLANNKKV-PQFKCJEGSA-N 2 1 362.517 4.477 20 0 FIADMP Oc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc2)cc1 ZINC001167973127 1102525357 /nfs/dbraw/zinc/52/53/57/1102525357.db2.gz HHMAGBQLANNKKV-PQFKCJEGSA-N 2 1 362.517 4.477 20 0 FIADMP c1csc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)co2)c1 ZINC000122152373 1102536344 /nfs/dbraw/zinc/53/63/44/1102536344.db2.gz VWNHNWGQBGWNJL-UHFFFAOYSA-N 2 1 359.539 4.491 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782519 1102563156 /nfs/dbraw/zinc/56/31/56/1102563156.db2.gz STNWOJGYJQFMSN-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782519 1102563162 /nfs/dbraw/zinc/56/31/62/1102563162.db2.gz STNWOJGYJQFMSN-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782519 1102563165 /nfs/dbraw/zinc/56/31/65/1102563165.db2.gz STNWOJGYJQFMSN-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782519 1102563172 /nfs/dbraw/zinc/56/31/72/1102563172.db2.gz STNWOJGYJQFMSN-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000122409478 1102574544 /nfs/dbraw/zinc/57/45/44/1102574544.db2.gz BWIUMEVWPXMYLL-AVRDEDQJSA-N 2 1 372.553 4.114 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000550882056 1102653272 /nfs/dbraw/zinc/65/32/72/1102653272.db2.gz HPYKZMUOLWBWHY-VAPSRWTKSA-N 2 1 370.581 4.330 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887729 1102658269 /nfs/dbraw/zinc/65/82/69/1102658269.db2.gz ZFQBEMGUCRXEAO-QUCCMNQESA-N 2 1 370.562 4.328 20 0 FIADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc2ccccc12 ZINC000532641855 1102658401 /nfs/dbraw/zinc/65/84/01/1102658401.db2.gz QTKWDLYYKFOQEB-SFHVURJKSA-N 2 1 366.553 4.415 20 0 FIADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc2ccccc12 ZINC000532641855 1102658403 /nfs/dbraw/zinc/65/84/03/1102658403.db2.gz QTKWDLYYKFOQEB-SFHVURJKSA-N 2 1 366.553 4.415 20 0 FIADMP CN(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cccs1 ZINC000550886563 1102658552 /nfs/dbraw/zinc/65/85/52/1102658552.db2.gz HVBAGCFEZMYCQP-XVAXZDLZSA-N 2 1 371.594 4.384 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1N(C)C ZINC000537648292 1102664984 /nfs/dbraw/zinc/66/49/84/1102664984.db2.gz YNLPAUWULDYMBO-DYXWJJEUSA-N 2 1 351.538 4.456 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1N(C)C ZINC000537648292 1102664992 /nfs/dbraw/zinc/66/49/92/1102664992.db2.gz YNLPAUWULDYMBO-DYXWJJEUSA-N 2 1 351.538 4.456 20 0 FIADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257506 1102675801 /nfs/dbraw/zinc/67/58/01/1102675801.db2.gz LSLMDHQMYHFSFQ-YPAWHYETSA-N 2 1 368.496 4.074 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000550920877 1102693038 /nfs/dbraw/zinc/69/30/38/1102693038.db2.gz KNXFAHPULJPWOS-GPVXHPMSSA-N 2 1 368.565 4.367 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000111684408 1102702467 /nfs/dbraw/zinc/70/24/67/1102702467.db2.gz QLIWFSXBCJCZFK-UHFFFAOYSA-N 2 1 358.555 4.149 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000111684408 1102702475 /nfs/dbraw/zinc/70/24/75/1102702475.db2.gz QLIWFSXBCJCZFK-UHFFFAOYSA-N 2 1 358.555 4.149 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000111684408 1102702487 /nfs/dbraw/zinc/70/24/87/1102702487.db2.gz QLIWFSXBCJCZFK-UHFFFAOYSA-N 2 1 358.555 4.149 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000537652436 1102728149 /nfs/dbraw/zinc/72/81/49/1102728149.db2.gz UXRWEUPQOAIUMZ-UYAOXDASSA-N 2 1 368.569 4.108 20 0 FIADMP FC(F)(F)C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(F)(F)F ZINC001167981880 1102773814 /nfs/dbraw/zinc/77/38/14/1102773814.db2.gz NUYOQKYSSXMEKQ-YHWZYXNKSA-N 2 1 358.370 4.112 20 0 FIADMP c1ccc2c(c1)nc(C1CC[NH2+]CC1)n2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167983361 1102884098 /nfs/dbraw/zinc/88/40/98/1102884098.db2.gz GPWKINPQMLLBOZ-YOFSQIOKSA-N 2 1 364.537 4.081 20 0 FIADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269992 1102894245 /nfs/dbraw/zinc/89/42/45/1102894245.db2.gz DSIXPJMPYNOAPN-YMPZKCBVSA-N 2 1 370.581 4.331 20 0 FIADMP CCC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550270762 1102901596 /nfs/dbraw/zinc/90/15/96/1102901596.db2.gz BRHBUOCCZNANJB-APKLWFBNSA-N 2 1 370.581 4.474 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC000551086695 1102906084 /nfs/dbraw/zinc/90/60/84/1102906084.db2.gz ARNFEWTYCMDCBO-VFUGHAIPSA-N 2 1 372.553 4.312 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC000551086695 1102906089 /nfs/dbraw/zinc/90/60/89/1102906089.db2.gz ARNFEWTYCMDCBO-VFUGHAIPSA-N 2 1 372.553 4.312 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Cl)c(F)c3)CC2)nc(C)[nH+]1 ZINC000536624555 1102929093 /nfs/dbraw/zinc/92/90/93/1102929093.db2.gz OMMNHHVDWBTSDZ-CYBMUJFWSA-N 2 1 362.880 4.206 20 0 FIADMP CCOc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(Cl)c1OC ZINC000506910167 1102948363 /nfs/dbraw/zinc/94/83/63/1102948363.db2.gz SAFXLZKENDGDOG-UHFFFAOYSA-N 2 1 366.933 4.055 20 0 FIADMP CCCC(CCC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265662 1103024931 /nfs/dbraw/zinc/02/49/31/1103024931.db2.gz YCIGFRMVHZYGKI-OAQYLSRUSA-N 2 1 358.570 4.474 20 0 FIADMP COc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c(OC)c1 ZINC000551266187 1103025235 /nfs/dbraw/zinc/02/52/35/1103025235.db2.gz XOZCBQPXNXFGAI-UHFFFAOYSA-N 2 1 368.521 4.237 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc2O1 ZINC000729678567 1103028016 /nfs/dbraw/zinc/02/80/16/1103028016.db2.gz NRIRVCDIXWRWSX-UHFFFAOYSA-N 2 1 364.533 4.197 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000666995748 1103335967 /nfs/dbraw/zinc/33/59/67/1103335967.db2.gz YUERCAAPCQVNJO-AWEZNQCLSA-N 2 1 366.349 4.489 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnc(C(C)(C)C)nc1 ZINC000551547820 1103344329 /nfs/dbraw/zinc/34/43/29/1103344329.db2.gz XSCIKCLAQQHBQA-SFHVURJKSA-N 2 1 366.553 4.438 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551547820 1103344344 /nfs/dbraw/zinc/34/43/44/1103344344.db2.gz XSCIKCLAQQHBQA-SFHVURJKSA-N 2 1 366.553 4.438 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551547820 1103344359 /nfs/dbraw/zinc/34/43/59/1103344359.db2.gz XSCIKCLAQQHBQA-SFHVURJKSA-N 2 1 366.553 4.438 20 0 FIADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995194 1103351224 /nfs/dbraw/zinc/35/12/24/1103351224.db2.gz FUUFSPQVBWVRFJ-AWEZNQCLSA-N 2 1 353.491 4.321 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cc1 ZINC000507446908 1103393866 /nfs/dbraw/zinc/39/38/66/1103393866.db2.gz GLAHNUKCMCNUHX-ZDUSSCGKSA-N 2 1 359.395 4.491 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1COc2ccccc21 ZINC000507485316 1103433847 /nfs/dbraw/zinc/43/38/47/1103433847.db2.gz LKOTXXATFBUPDU-YZMLUHFISA-N 2 1 362.517 4.051 20 0 FIADMP c1cc([C@H]2CCCN2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694061 1103519675 /nfs/dbraw/zinc/51/96/75/1103519675.db2.gz MEHWZFHOXSPPQN-NHCUHLMSSA-N 2 1 356.535 4.176 20 0 FIADMP c1cc([C@H]2CCCN2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694061 1103519690 /nfs/dbraw/zinc/51/96/90/1103519690.db2.gz MEHWZFHOXSPPQN-NHCUHLMSSA-N 2 1 356.535 4.176 20 0 FIADMP Clc1cc(Cl)c(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246828350 1103714052 /nfs/dbraw/zinc/71/40/52/1103714052.db2.gz QEFOKVMJPRCDIC-OLZOCXBDSA-N 2 1 363.716 4.242 20 0 FIADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)C1 ZINC000519777761 1103865654 /nfs/dbraw/zinc/86/56/54/1103865654.db2.gz WSCKNQAVNCCTJZ-HXUWFJFHSA-N 2 1 374.532 4.197 20 0 FIADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)C1 ZINC000519777761 1103865661 /nfs/dbraw/zinc/86/56/61/1103865661.db2.gz WSCKNQAVNCCTJZ-HXUWFJFHSA-N 2 1 374.532 4.197 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000519863492 1103912234 /nfs/dbraw/zinc/91/22/34/1103912234.db2.gz TXSFJQKDAJRARH-RTWAWAEBSA-N 2 1 354.542 4.076 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266198 1104071193 /nfs/dbraw/zinc/07/11/93/1104071193.db2.gz WBWVHUCLJZDSKX-VQTJNVASSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266198 1104071206 /nfs/dbraw/zinc/07/12/06/1104071206.db2.gz WBWVHUCLJZDSKX-VQTJNVASSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266198 1104071219 /nfs/dbraw/zinc/07/12/19/1104071219.db2.gz WBWVHUCLJZDSKX-VQTJNVASSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266198 1104071230 /nfs/dbraw/zinc/07/12/30/1104071230.db2.gz WBWVHUCLJZDSKX-VQTJNVASSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266197 1104072163 /nfs/dbraw/zinc/07/21/63/1104072163.db2.gz WBWVHUCLJZDSKX-UXHICEINSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266197 1104072174 /nfs/dbraw/zinc/07/21/74/1104072174.db2.gz WBWVHUCLJZDSKX-UXHICEINSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266197 1104072187 /nfs/dbraw/zinc/07/21/87/1104072187.db2.gz WBWVHUCLJZDSKX-UXHICEINSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266197 1104072197 /nfs/dbraw/zinc/07/21/97/1104072197.db2.gz WBWVHUCLJZDSKX-UXHICEINSA-N 2 1 366.553 4.174 20 0 FIADMP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394962 1104329784 /nfs/dbraw/zinc/32/97/84/1104329784.db2.gz QFBIAHQGEOXWAT-IIBYNOLFSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394962 1104329792 /nfs/dbraw/zinc/32/97/92/1104329792.db2.gz QFBIAHQGEOXWAT-IIBYNOLFSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394962 1104329803 /nfs/dbraw/zinc/32/98/03/1104329803.db2.gz QFBIAHQGEOXWAT-IIBYNOLFSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394962 1104329815 /nfs/dbraw/zinc/32/98/15/1104329815.db2.gz QFBIAHQGEOXWAT-IIBYNOLFSA-N 2 1 371.912 4.444 20 0 FIADMP C[C@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000427561397 1104358618 /nfs/dbraw/zinc/35/86/18/1104358618.db2.gz BTUKNOGZQQCDEZ-PBHICJAKSA-N 2 1 355.448 4.189 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419874 1104381948 /nfs/dbraw/zinc/38/19/48/1104381948.db2.gz YFDRUTRGUOWKNY-DNVCBOLYSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419874 1104381959 /nfs/dbraw/zinc/38/19/59/1104381959.db2.gz YFDRUTRGUOWKNY-DNVCBOLYSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419874 1104381970 /nfs/dbraw/zinc/38/19/70/1104381970.db2.gz YFDRUTRGUOWKNY-DNVCBOLYSA-N 2 1 368.443 4.033 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000188445484 1104446042 /nfs/dbraw/zinc/44/60/42/1104446042.db2.gz VRWZETWYIYLZKB-FGZHOGPDSA-N 2 1 356.485 4.023 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167994943 1104483986 /nfs/dbraw/zinc/48/39/86/1104483986.db2.gz QVMLZSPWPITJAB-JIMIUWDKSA-N 2 1 364.537 4.312 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167994943 1104483991 /nfs/dbraw/zinc/48/39/91/1104483991.db2.gz QVMLZSPWPITJAB-JIMIUWDKSA-N 2 1 364.537 4.312 20 0 FIADMP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976683 1104484923 /nfs/dbraw/zinc/48/49/23/1104484923.db2.gz RZXJLUBFSBBHOK-SJORKVTESA-N 2 1 359.901 4.207 20 0 FIADMP Cc1cccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167995297 1104507897 /nfs/dbraw/zinc/50/78/97/1104507897.db2.gz ZMAJTOUCCVGDAY-WCRBZPEASA-N 2 1 354.538 4.244 20 0 FIADMP COCCC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCC1 ZINC000189135435 1104782075 /nfs/dbraw/zinc/78/20/75/1104782075.db2.gz DQLCYKSKFVFBMY-QFIPXVFZSA-N 2 1 358.570 4.128 20 0 FIADMP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2n1 ZINC000189314717 1104794462 /nfs/dbraw/zinc/79/44/62/1104794462.db2.gz ALGULKLKRJGNKW-JOCHJYFZSA-N 2 1 359.517 4.197 20 0 FIADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001613 1104931268 /nfs/dbraw/zinc/93/12/68/1104931268.db2.gz DXTJOXGQFHCTLC-JWTNVVGKSA-N 2 1 368.443 4.422 20 0 FIADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001613 1104931271 /nfs/dbraw/zinc/93/12/71/1104931271.db2.gz DXTJOXGQFHCTLC-JWTNVVGKSA-N 2 1 368.443 4.422 20 0 FIADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001613 1104931274 /nfs/dbraw/zinc/93/12/74/1104931274.db2.gz DXTJOXGQFHCTLC-JWTNVVGKSA-N 2 1 368.443 4.422 20 0 FIADMP C[NH+](Cc1cccc(OC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001613 1104931276 /nfs/dbraw/zinc/93/12/76/1104931276.db2.gz DXTJOXGQFHCTLC-JWTNVVGKSA-N 2 1 368.443 4.422 20 0 FIADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001168001660 1104936005 /nfs/dbraw/zinc/93/60/05/1104936005.db2.gz FXPGPBMVLMMDKH-IUPYZPJSSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001168001660 1104936008 /nfs/dbraw/zinc/93/60/08/1104936008.db2.gz FXPGPBMVLMMDKH-IUPYZPJSSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001168001660 1104936011 /nfs/dbraw/zinc/93/60/11/1104936011.db2.gz FXPGPBMVLMMDKH-IUPYZPJSSA-N 2 1 368.521 4.016 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190599142 1104947136 /nfs/dbraw/zinc/94/71/36/1104947136.db2.gz PDFGRXJTQQWAPA-MEDUHNTESA-N 2 1 368.344 4.393 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000388829659 1105045100 /nfs/dbraw/zinc/04/51/00/1105045100.db2.gz WZJIUXFKGGPFMS-ZWOKBUDYSA-N 2 1 356.485 4.396 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000152378673 1105060336 /nfs/dbraw/zinc/06/03/36/1105060336.db2.gz VAUUBJJVCUWLNK-MRXNPFEDSA-N 2 1 357.567 4.398 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000152378673 1105060343 /nfs/dbraw/zinc/06/03/43/1105060343.db2.gz VAUUBJJVCUWLNK-MRXNPFEDSA-N 2 1 357.567 4.398 20 0 FIADMP COc1cc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC001168005163 1105072129 /nfs/dbraw/zinc/07/21/29/1105072129.db2.gz HDLGRZKDLOZUIN-ROUUACIJSA-N 2 1 368.521 4.235 20 0 FIADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406518 1105088075 /nfs/dbraw/zinc/08/80/75/1105088075.db2.gz AIKTVXSDKUICLE-ROUUACIJSA-N 2 1 350.506 4.497 20 0 FIADMP C[C@H](C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000189825158 1105095436 /nfs/dbraw/zinc/09/54/36/1105095436.db2.gz UKEIKBGCYWYYSP-GOSISDBHSA-N 2 1 371.956 4.477 20 0 FIADMP Cc1ccc2ncc(C[NH2+]C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC001168007934 1105148033 /nfs/dbraw/zinc/14/80/33/1105148033.db2.gz VPJACHBWYARXMJ-OALUTQOASA-N 2 1 362.521 4.174 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834402 1105240863 /nfs/dbraw/zinc/24/08/63/1105240863.db2.gz UPTNRNGDGHWFCB-VQTJNVASSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834402 1105240866 /nfs/dbraw/zinc/24/08/66/1105240866.db2.gz UPTNRNGDGHWFCB-VQTJNVASSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834402 1105240872 /nfs/dbraw/zinc/24/08/72/1105240872.db2.gz UPTNRNGDGHWFCB-VQTJNVASSA-N 2 1 366.553 4.174 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000301274194 1106978283 /nfs/dbraw/zinc/97/82/83/1106978283.db2.gz RPMWMJFXUSJDKA-HNNXBMFYSA-N 2 1 360.299 4.062 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000530460251 1107055495 /nfs/dbraw/zinc/05/54/95/1107055495.db2.gz CODGXBNXHIRNPL-MRXNPFEDSA-N 2 1 368.706 4.119 20 0 FIADMP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000302051953 1107276098 /nfs/dbraw/zinc/27/60/98/1107276098.db2.gz ONALLALQQQHYDZ-GOSISDBHSA-N 2 1 367.880 4.067 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000302051953 1107276118 /nfs/dbraw/zinc/27/61/18/1107276118.db2.gz ONALLALQQQHYDZ-GOSISDBHSA-N 2 1 367.880 4.067 20 0 FIADMP CCC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1cc(C)ccn1 ZINC000631579053 1107710007 /nfs/dbraw/zinc/71/00/07/1107710007.db2.gz BZOACWNKJDOMGB-FQEVSTJZSA-N 2 1 370.541 4.338 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000531381886 1107828823 /nfs/dbraw/zinc/82/88/23/1107828823.db2.gz YIBUCRATAXAPPS-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000531381886 1107828839 /nfs/dbraw/zinc/82/88/39/1107828839.db2.gz YIBUCRATAXAPPS-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000531700365 1108081249 /nfs/dbraw/zinc/08/12/49/1108081249.db2.gz KOGJSCZMLYMQCD-HSZRJFAPSA-N 2 1 352.522 4.061 20 0 FIADMP CC(C[NH+]1CC[C@H](CC(F)(F)F)C1)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444714763 1108088100 /nfs/dbraw/zinc/08/81/00/1108088100.db2.gz KSZILCIPCHAYBN-ZIAGYGMSSA-N 2 1 360.386 4.171 20 0 FIADMP C[C@H](CC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)[N@@H+](C)Cc1ccccc1 ZINC000531725756 1108098089 /nfs/dbraw/zinc/09/80/89/1108098089.db2.gz BVGTZUNCEDYKDZ-QZTJIDSGSA-N 2 1 365.521 4.133 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054944 1108131419 /nfs/dbraw/zinc/13/14/19/1108131419.db2.gz CYFVFIVZJYFFJE-OALUTQOASA-N 2 1 354.542 4.250 20 0 FIADMP CC1CC[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000453063252 1108140821 /nfs/dbraw/zinc/14/08/21/1108140821.db2.gz RRPYDZRJNWGMLX-HXUWFJFHSA-N 2 1 374.960 4.265 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000453138503 1108213436 /nfs/dbraw/zinc/21/34/36/1108213436.db2.gz AFVIVGRUHJIDJM-CCSDVLNMSA-N 2 1 356.554 4.223 20 0 FIADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453169885 1108244375 /nfs/dbraw/zinc/24/43/75/1108244375.db2.gz KRMCEKXEQBNLFW-VJBWXMMDSA-N 2 1 374.532 4.138 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2sccc21 ZINC000453198630 1108266943 /nfs/dbraw/zinc/26/69/43/1108266943.db2.gz QHUUNOIGCCPYCJ-ZTNFWEORSA-N 2 1 356.535 4.043 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208583 1108278367 /nfs/dbraw/zinc/27/83/67/1108278367.db2.gz CHGGIICGGLSGCJ-FPOVZHCZSA-N 2 1 374.532 4.260 20 0 FIADMP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213577 1108282522 /nfs/dbraw/zinc/28/25/22/1108282522.db2.gz APFMPANFOGJRHN-XZOQPEGZSA-N 2 1 370.581 4.474 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC4(CCC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453331658 1108388718 /nfs/dbraw/zinc/38/87/18/1108388718.db2.gz ZQCFLUHLEUHZHB-LDVJMBRRSA-N 2 1 368.565 4.369 20 0 FIADMP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453311748 1108398205 /nfs/dbraw/zinc/39/82/05/1108398205.db2.gz BIZASZCWHMPEGP-FADBTOOJSA-N 2 1 356.554 4.223 20 0 FIADMP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453311749 1108399277 /nfs/dbraw/zinc/39/92/77/1108399277.db2.gz BIZASZCWHMPEGP-HPAIXVDQSA-N 2 1 356.554 4.223 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939139 1108415614 /nfs/dbraw/zinc/41/56/14/1108415614.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939139 1108415617 /nfs/dbraw/zinc/41/56/17/1108415617.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939139 1108415625 /nfs/dbraw/zinc/41/56/25/1108415625.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939139 1108415629 /nfs/dbraw/zinc/41/56/29/1108415629.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939139 1108415633 /nfs/dbraw/zinc/41/56/33/1108415633.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939139 1108415641 /nfs/dbraw/zinc/41/56/41/1108415641.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939139 1108415646 /nfs/dbraw/zinc/41/56/46/1108415646.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939139 1108415654 /nfs/dbraw/zinc/41/56/54/1108415654.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939139 1108415657 /nfs/dbraw/zinc/41/56/57/1108415657.db2.gz XOKDIVRYBJYSGO-DNVFCKCGSA-N 2 1 357.586 4.269 20 0 FIADMP Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cccc(Cl)c1 ZINC000453338419 1108432221 /nfs/dbraw/zinc/43/22/21/1108432221.db2.gz FXQXOPWIKYAIAB-TZUVLKIQSA-N 2 1 358.917 4.110 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cccc(Cl)c1 ZINC000453338419 1108432233 /nfs/dbraw/zinc/43/22/33/1108432233.db2.gz FXQXOPWIKYAIAB-TZUVLKIQSA-N 2 1 358.917 4.110 20 0 FIADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453353302 1108454535 /nfs/dbraw/zinc/45/45/35/1108454535.db2.gz NQMPXXNSRVRYOF-ZYJGPIPZSA-N 2 1 350.506 4.194 20 0 FIADMP COc1cccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)c1 ZINC000453354155 1108456754 /nfs/dbraw/zinc/45/67/54/1108456754.db2.gz OFEUJPHDFPTCEQ-VYTWWXLVSA-N 2 1 350.506 4.194 20 0 FIADMP COc1cccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)c1 ZINC000453354159 1108457542 /nfs/dbraw/zinc/45/75/42/1108457542.db2.gz OFEUJPHDFPTCEQ-ZYJGPIPZSA-N 2 1 350.506 4.194 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)C1CC1 ZINC000453386245 1108471890 /nfs/dbraw/zinc/47/18/90/1108471890.db2.gz ALBNZRZEFQTJRB-NRFANRHFSA-N 2 1 357.929 4.483 20 0 FIADMP C[N@@H+](CCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)C1CC1 ZINC000453593620 1108629978 /nfs/dbraw/zinc/62/99/78/1108629978.db2.gz HAKVUZMTOOYQQH-UHFFFAOYSA-N 2 1 366.553 4.189 20 0 FIADMP c1snnc1C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453594028 1108649827 /nfs/dbraw/zinc/64/98/27/1108649827.db2.gz DMCSOYRROJLKTG-NRFANRHFSA-N 2 1 370.566 4.195 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000532192543 1108701268 /nfs/dbraw/zinc/70/12/68/1108701268.db2.gz UXSKRKNOLPITTE-LJQANCHMSA-N 3 1 354.542 4.343 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@H](C)C1 ZINC000524551018 1109066315 /nfs/dbraw/zinc/06/63/15/1109066315.db2.gz SJWDKFIUDDTMBO-DYESRHJHSA-N 2 1 374.500 4.312 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@H](C)C1 ZINC000524551018 1109066319 /nfs/dbraw/zinc/06/63/19/1109066319.db2.gz SJWDKFIUDDTMBO-DYESRHJHSA-N 2 1 374.500 4.312 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446837786 1109348757 /nfs/dbraw/zinc/34/87/57/1109348757.db2.gz AUVRQPRARKDTSG-KGLIPLIRSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446837786 1109348759 /nfs/dbraw/zinc/34/87/59/1109348759.db2.gz AUVRQPRARKDTSG-KGLIPLIRSA-N 2 1 357.311 4.359 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446831790 1109354440 /nfs/dbraw/zinc/35/44/40/1109354440.db2.gz IVXKGTVAZSLZOI-MRXNPFEDSA-N 2 1 368.706 4.348 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446831789 1109354503 /nfs/dbraw/zinc/35/45/03/1109354503.db2.gz IVXKGTVAZSLZOI-INIZCTEOSA-N 2 1 368.706 4.348 20 0 FIADMP CN(c1ccccc1C[N@@H+](C)Cc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000446975414 1109408379 /nfs/dbraw/zinc/40/83/79/1109408379.db2.gz RAEUSJVJPHZDAX-UHFFFAOYSA-N 2 1 373.491 4.127 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@@H+]1C ZINC000525708912 1109489080 /nfs/dbraw/zinc/48/90/80/1109489080.db2.gz SFSROETWGKZTBH-WBVHZDCISA-N 2 1 371.912 4.165 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@H+]1C ZINC000525708912 1109489085 /nfs/dbraw/zinc/48/90/85/1109489085.db2.gz SFSROETWGKZTBH-WBVHZDCISA-N 2 1 371.912 4.165 20 0 FIADMP CCCOc1ccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000525997927 1109578428 /nfs/dbraw/zinc/57/84/28/1109578428.db2.gz ZDSQBNZHFQBZDY-UHFFFAOYSA-N 2 1 370.459 4.370 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000447563633 1109582761 /nfs/dbraw/zinc/58/27/61/1109582761.db2.gz RGFZIARSSUODCI-QGZVFWFLSA-N 2 1 370.493 4.149 20 0 FIADMP Fc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1F ZINC000447590412 1109589485 /nfs/dbraw/zinc/58/94/85/1109589485.db2.gz CLPYMHGCBIZNTP-LDLYASANSA-N 2 1 374.450 4.432 20 0 FIADMP COC1CCC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447600251 1109599213 /nfs/dbraw/zinc/59/92/13/1109599213.db2.gz LLKQOLQPKWGKIX-KHBUQGBSSA-N 2 1 356.554 4.367 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1 ZINC000447955017 1109686411 /nfs/dbraw/zinc/68/64/11/1109686411.db2.gz PDXCFRDRUZHPOL-UHFFFAOYSA-N 2 1 361.449 4.283 20 0 FIADMP C[C@H](N[C@H]1CCOc2c(F)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197744 1109717952 /nfs/dbraw/zinc/71/79/52/1109717952.db2.gz ZSDIKLDKLJXOMM-MDKPJZGXSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527197744 1109717955 /nfs/dbraw/zinc/71/79/55/1109717955.db2.gz ZSDIKLDKLJXOMM-MDKPJZGXSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197744 1109717958 /nfs/dbraw/zinc/71/79/58/1109717958.db2.gz ZSDIKLDKLJXOMM-MDKPJZGXSA-N 2 1 354.469 4.150 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097867 1109723702 /nfs/dbraw/zinc/72/37/02/1109723702.db2.gz RCPLERQPWSQHOT-UYAOXDASSA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097867 1109723704 /nfs/dbraw/zinc/72/37/04/1109723704.db2.gz RCPLERQPWSQHOT-UYAOXDASSA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097867 1109723707 /nfs/dbraw/zinc/72/37/07/1109723707.db2.gz RCPLERQPWSQHOT-UYAOXDASSA-N 2 1 362.521 4.306 20 0 FIADMP CC[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000527871509 1109845616 /nfs/dbraw/zinc/84/56/16/1109845616.db2.gz PWPJYCSMVBMXLE-FQEVSTJZSA-N 2 1 352.526 4.063 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCN2C2CCCC2)CC1 ZINC000527999160 1109881443 /nfs/dbraw/zinc/88/14/43/1109881443.db2.gz FOAIMIZCOASFDK-BBHUYCHWSA-N 3 1 355.570 4.036 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)cn1 ZINC000528044117 1109897306 /nfs/dbraw/zinc/89/73/06/1109897306.db2.gz RDSIZRRGCCKJGQ-OYHNWAKOSA-N 2 1 362.477 4.386 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000449173333 1109988434 /nfs/dbraw/zinc/98/84/34/1109988434.db2.gz FPBLHMQODFXKHO-AVRDEDQJSA-N 2 1 368.569 4.193 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449164670 1109990343 /nfs/dbraw/zinc/99/03/43/1109990343.db2.gz QKYUJZUBFVZDSD-INIZCTEOSA-N 2 1 366.278 4.150 20 0 FIADMP Clc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000528426724 1109991114 /nfs/dbraw/zinc/99/11/14/1109991114.db2.gz GIVUNSUXCKBKSB-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP Clc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000528426724 1109991116 /nfs/dbraw/zinc/99/11/16/1109991116.db2.gz GIVUNSUXCKBKSB-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP CNC(=O)C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccccc1 ZINC000449302311 1110021484 /nfs/dbraw/zinc/02/14/84/1110021484.db2.gz USGIEZVYNHXTFP-HXUWFJFHSA-N 2 1 373.585 4.133 20 0 FIADMP CC(C)c1nnc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000450494001 1110306415 /nfs/dbraw/zinc/30/64/15/1110306415.db2.gz IBGKSBKASOYFKN-MRXNPFEDSA-N 2 1 350.576 4.138 20 0 FIADMP C[C@H](c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1)C(F)(F)F ZINC000450599901 1110318688 /nfs/dbraw/zinc/31/86/88/1110318688.db2.gz LXSCPGWJCAMUJQ-ZWQIFLOQSA-N 2 1 370.459 4.036 20 0 FIADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664221 1111232421 /nfs/dbraw/zinc/23/24/21/1111232421.db2.gz ODNDTAMTEQRDPH-LJQANCHMSA-N 2 1 370.545 4.017 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664221 1111232424 /nfs/dbraw/zinc/23/24/24/1111232424.db2.gz ODNDTAMTEQRDPH-LJQANCHMSA-N 2 1 370.545 4.017 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)cs1 ZINC000538795881 1111293945 /nfs/dbraw/zinc/29/39/45/1111293945.db2.gz BOOIXUMFJGNSGM-NRSPTQNISA-N 2 1 356.535 4.099 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)cs1 ZINC000538795880 1111294218 /nfs/dbraw/zinc/29/42/18/1111294218.db2.gz BOOIXUMFJGNSGM-HMXCVIKNSA-N 2 1 356.535 4.099 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000539055071 1111403243 /nfs/dbraw/zinc/40/32/43/1111403243.db2.gz UPPFIJPFESQIQH-OAHLLOKOSA-N 2 1 366.534 4.409 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060179 1111406550 /nfs/dbraw/zinc/40/65/50/1111406550.db2.gz PZAVOMHUYCQTJP-IGNZVWTISA-N 2 1 357.325 4.022 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000539045027 1111409906 /nfs/dbraw/zinc/40/99/06/1111409906.db2.gz ZAVNLMPCWNDJNH-FXAWDEMLSA-N 2 1 371.594 4.483 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000539047841 1111411684 /nfs/dbraw/zinc/41/16/84/1111411684.db2.gz XRMXTBQWHKNRRP-CVEARBPZSA-N 2 1 368.949 4.376 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000539047841 1111411686 /nfs/dbraw/zinc/41/16/86/1111411686.db2.gz XRMXTBQWHKNRRP-CVEARBPZSA-N 2 1 368.949 4.376 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)c1 ZINC000539071970 1111418650 /nfs/dbraw/zinc/41/86/50/1111418650.db2.gz ZITRIMKRTCJZLH-QGZVFWFLSA-N 2 1 371.500 4.173 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1)CC(C)C ZINC000539099068 1111431990 /nfs/dbraw/zinc/43/19/90/1111431990.db2.gz SOVZMPZRGTYSEL-QGZVFWFLSA-N 2 1 367.603 4.431 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1)CC(C)C ZINC000539099068 1111431993 /nfs/dbraw/zinc/43/19/93/1111431993.db2.gz SOVZMPZRGTYSEL-QGZVFWFLSA-N 2 1 367.603 4.431 20 0 FIADMP Cc1nc2ccccc2nc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000253295633 1111512951 /nfs/dbraw/zinc/51/29/51/1111512951.db2.gz HEBAUWADRMWWLY-PFWHTEFJSA-N 2 1 374.532 4.184 20 0 FIADMP Cc1nc2ccccc2nc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000253295633 1111512955 /nfs/dbraw/zinc/51/29/55/1111512955.db2.gz HEBAUWADRMWWLY-PFWHTEFJSA-N 2 1 374.532 4.184 20 0 FIADMP CC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000552062518 1111562799 /nfs/dbraw/zinc/56/27/99/1111562799.db2.gz ZZXNOASOXDEVDS-YPAWHYETSA-N 2 1 356.554 4.084 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000552272925 1111654619 /nfs/dbraw/zinc/65/46/19/1111654619.db2.gz IVBLPQMMPUIAHL-UHFFFAOYSA-N 2 1 355.551 4.248 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552338234 1111678850 /nfs/dbraw/zinc/67/88/50/1111678850.db2.gz BSSSJJRBSPYJSX-RCCFBDPRSA-N 2 1 352.444 4.219 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055372 1111937937 /nfs/dbraw/zinc/93/79/37/1111937937.db2.gz FICPBTQCSNDUSM-MRRJBJDNSA-N 2 1 351.332 4.244 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055372 1111937939 /nfs/dbraw/zinc/93/79/39/1111937939.db2.gz FICPBTQCSNDUSM-MRRJBJDNSA-N 2 1 351.332 4.244 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479071661 1111940536 /nfs/dbraw/zinc/94/05/36/1111940536.db2.gz SQWQBCILVDMWMK-GOSISDBHSA-N 2 1 362.315 4.401 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290016 1111986562 /nfs/dbraw/zinc/98/65/62/1111986562.db2.gz XFGXJRFNDLCHCK-NVXWUHKLSA-N 2 1 353.348 4.090 20 0 FIADMP CC[N@@H+](CCNc1cc[nH+]c2cc(F)c(OC)cc12)CCC(F)(F)F ZINC000479329878 1111993904 /nfs/dbraw/zinc/99/39/04/1111993904.db2.gz ZNXHSQUQASKYGS-UHFFFAOYSA-N 2 1 359.367 4.069 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000479344001 1112001316 /nfs/dbraw/zinc/00/13/16/1112001316.db2.gz KYHIBPPZMGFDMP-SVMVAKDDSA-N 2 1 366.553 4.065 20 0 FIADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367203 1112002029 /nfs/dbraw/zinc/00/20/29/1112002029.db2.gz WEEBUOHCQHLBOQ-ACJLOTCBSA-N 2 1 363.343 4.245 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479397393 1112012635 /nfs/dbraw/zinc/01/26/35/1112012635.db2.gz XPSCVOLOIDEVAW-FQEVSTJZSA-N 2 1 352.526 4.102 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)C2)cc1 ZINC000479462538 1112032978 /nfs/dbraw/zinc/03/29/78/1112032978.db2.gz GHJDIKSZNREOAQ-CQOQZXRMSA-N 2 1 364.533 4.266 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000479535723 1112060134 /nfs/dbraw/zinc/06/01/34/1112060134.db2.gz IUBNQSUBOMGGHZ-KRZXBLKESA-N 2 1 364.961 4.313 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000479537321 1112061799 /nfs/dbraw/zinc/06/17/99/1112061799.db2.gz BNZPRJNBYHRPII-GOSISDBHSA-N 2 1 353.510 4.111 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000479537321 1112061804 /nfs/dbraw/zinc/06/18/04/1112061804.db2.gz BNZPRJNBYHRPII-GOSISDBHSA-N 2 1 353.510 4.111 20 0 FIADMP CCCc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000479562280 1112073359 /nfs/dbraw/zinc/07/33/59/1112073359.db2.gz XOWUKXBNLKJNHZ-LJQANCHMSA-N 2 1 352.522 4.150 20 0 FIADMP CCCc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000479562280 1112073364 /nfs/dbraw/zinc/07/33/64/1112073364.db2.gz XOWUKXBNLKJNHZ-LJQANCHMSA-N 2 1 352.522 4.150 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(F)cn1 ZINC000554047829 1112174160 /nfs/dbraw/zinc/17/41/60/1112174160.db2.gz IZFNOGIXEHPUTA-MRXNPFEDSA-N 2 1 357.473 4.066 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000479897323 1112180452 /nfs/dbraw/zinc/18/04/52/1112180452.db2.gz BNTGMTQZSXYRIA-QHCPKHFHSA-N 2 1 352.522 4.396 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000479899911 1112181272 /nfs/dbraw/zinc/18/12/72/1112181272.db2.gz HFJXRRPMMDWMGV-OAQYLSRUSA-N 2 1 358.913 4.413 20 0 FIADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000479892723 1112188309 /nfs/dbraw/zinc/18/83/09/1112188309.db2.gz UYVHFYJTLVMOEU-HXUWFJFHSA-N 2 1 352.522 4.295 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000479929842 1112201955 /nfs/dbraw/zinc/20/19/55/1112201955.db2.gz WPXYMLWJFSRZPJ-LJQANCHMSA-N 2 1 364.533 4.248 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554349382 1112311349 /nfs/dbraw/zinc/31/13/49/1112311349.db2.gz KTWBMRTYDJJZOM-MNEFBYGVSA-N 2 1 370.459 4.118 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)c1)C1CCOCC1 ZINC000554362673 1112318179 /nfs/dbraw/zinc/31/81/79/1112318179.db2.gz XNAUFRVSKAQYJI-VXKWHMMOSA-N 2 1 374.569 4.091 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000480196527 1112322248 /nfs/dbraw/zinc/32/22/48/1112322248.db2.gz PJWKVTCEVNJIBX-HNNXBMFYSA-N 2 1 357.361 4.306 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000480196527 1112322253 /nfs/dbraw/zinc/32/22/53/1112322253.db2.gz PJWKVTCEVNJIBX-HNNXBMFYSA-N 2 1 357.361 4.306 20 0 FIADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000667681606 1112446393 /nfs/dbraw/zinc/44/63/93/1112446393.db2.gz MRKCQAZIJFTFAY-LJQANCHMSA-N 2 1 355.551 4.282 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681606 1112446395 /nfs/dbraw/zinc/44/63/95/1112446395.db2.gz MRKCQAZIJFTFAY-LJQANCHMSA-N 2 1 355.551 4.282 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681606 1112446396 /nfs/dbraw/zinc/44/63/96/1112446396.db2.gz MRKCQAZIJFTFAY-LJQANCHMSA-N 2 1 355.551 4.282 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000480610037 1112500453 /nfs/dbraw/zinc/50/04/53/1112500453.db2.gz NFSXGSVCKLNXTF-ZCNNSNEGSA-N 2 1 354.542 4.281 20 0 FIADMP CCC[N@@H+](C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccc(Cl)cc1 ZINC000667733359 1112564455 /nfs/dbraw/zinc/56/44/55/1112564455.db2.gz AURPDBLQYVJZPU-LJQANCHMSA-N 2 1 374.916 4.003 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480752481 1112578457 /nfs/dbraw/zinc/57/84/57/1112578457.db2.gz YHHGULOORCVIGJ-QGZVFWFLSA-N 2 1 355.295 4.113 20 0 FIADMP Brc1ccc2c(NC3CC([NH+]4CCCCC4)C3)cc[nH+]c2c1 ZINC000480829579 1112619731 /nfs/dbraw/zinc/61/97/31/1112619731.db2.gz NWLLMYKDSOKUGI-UHFFFAOYSA-N 2 1 360.299 4.426 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2ccccc2c1 ZINC000480888682 1112649639 /nfs/dbraw/zinc/64/96/39/1112649639.db2.gz IRRUSFDGIUBZMR-HXUWFJFHSA-N 2 1 373.544 4.438 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000480879155 1112651648 /nfs/dbraw/zinc/65/16/48/1112651648.db2.gz GTSJJGZYQLYZKE-XLIONFOSSA-N 2 1 366.977 4.344 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC000480923475 1112676315 /nfs/dbraw/zinc/67/63/15/1112676315.db2.gz ZXSZTMVPPVSPGM-JOCHJYFZSA-N 2 1 371.956 4.328 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)[C@@H](C)C1 ZINC000481421641 1112937878 /nfs/dbraw/zinc/93/78/78/1112937878.db2.gz IYXVJBXQOZCBCD-KKSFZXQISA-N 2 1 357.542 4.011 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539035 1112973105 /nfs/dbraw/zinc/97/31/05/1112973105.db2.gz XNWRJBNFBOZRSC-UTKZUKDTSA-N 2 1 368.521 4.304 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539035 1112973107 /nfs/dbraw/zinc/97/31/07/1112973107.db2.gz XNWRJBNFBOZRSC-UTKZUKDTSA-N 2 1 368.521 4.304 20 0 FIADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000481555075 1112980474 /nfs/dbraw/zinc/98/04/74/1112980474.db2.gz CUSOUIJJYSKNHM-YGKZAACZSA-N 2 1 368.496 4.070 20 0 FIADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000481555075 1112980475 /nfs/dbraw/zinc/98/04/75/1112980475.db2.gz CUSOUIJJYSKNHM-YGKZAACZSA-N 2 1 368.496 4.070 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000481580540 1112988804 /nfs/dbraw/zinc/98/88/04/1112988804.db2.gz KFCAJUZYPCFRIG-RBUKOAKNSA-N 2 1 352.522 4.321 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000481580540 1112988805 /nfs/dbraw/zinc/98/88/05/1112988805.db2.gz KFCAJUZYPCFRIG-RBUKOAKNSA-N 2 1 352.522 4.321 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915222 1113130990 /nfs/dbraw/zinc/13/09/90/1113130990.db2.gz CJJOMJJCQIBMBZ-LAUBAEHRSA-N 2 1 355.551 4.486 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915222 1113130993 /nfs/dbraw/zinc/13/09/93/1113130993.db2.gz CJJOMJJCQIBMBZ-LAUBAEHRSA-N 2 1 355.551 4.486 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943038 1113135796 /nfs/dbraw/zinc/13/57/96/1113135796.db2.gz DYASQBIGVUHUCK-ILWGZMRPSA-N 2 1 369.553 4.163 20 0 FIADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCO2)cc1 ZINC000481951861 1113140571 /nfs/dbraw/zinc/14/05/71/1113140571.db2.gz IJRAUFBRZCIAQJ-FCHUYYIVSA-N 2 1 360.517 4.433 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114835 1113177699 /nfs/dbraw/zinc/17/76/99/1113177699.db2.gz OSFJOUZEOJQTKB-JTSKRJEESA-N 2 1 365.496 4.350 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114835 1113177703 /nfs/dbraw/zinc/17/77/03/1113177703.db2.gz OSFJOUZEOJQTKB-JTSKRJEESA-N 2 1 365.496 4.350 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC[N@H+]1C ZINC000482121605 1113181821 /nfs/dbraw/zinc/18/18/21/1113181821.db2.gz DCSBZUIGEAFHPB-VGSWGCGISA-N 2 1 350.506 4.251 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244271 1113208685 /nfs/dbraw/zinc/20/86/85/1113208685.db2.gz XANXPFAUKKAMLY-WMZHIEFXSA-N 2 1 364.533 4.054 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244271 1113208687 /nfs/dbraw/zinc/20/86/87/1113208687.db2.gz XANXPFAUKKAMLY-WMZHIEFXSA-N 2 1 364.533 4.054 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000482309658 1113221794 /nfs/dbraw/zinc/22/17/94/1113221794.db2.gz CBSVMUQJNAXIFU-OAHLLOKOSA-N 2 1 360.473 4.145 20 0 FIADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2cccs2)cc1 ZINC000482361522 1113232792 /nfs/dbraw/zinc/23/27/92/1113232792.db2.gz UTZVNPDCPVMBNC-SFHVURJKSA-N 2 1 371.594 4.339 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000482438627 1113255677 /nfs/dbraw/zinc/25/56/77/1113255677.db2.gz MTPPNJBBWAZZIL-ICSRJNTNSA-N 2 1 369.528 4.107 20 0 FIADMP COc1ccc2cc([C@@H](C)[NH2+]CC3([NH+]4CCCC4)CCOCC3)ccc2c1 ZINC000482553199 1113293089 /nfs/dbraw/zinc/29/30/89/1113293089.db2.gz GMPDNYQGAJHCTA-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000482547860 1113293937 /nfs/dbraw/zinc/29/39/37/1113293937.db2.gz BEIQTZBGYJTONL-KPRXVCGWSA-N 2 1 369.553 4.063 20 0 FIADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000482547860 1113293938 /nfs/dbraw/zinc/29/39/38/1113293938.db2.gz BEIQTZBGYJTONL-KPRXVCGWSA-N 2 1 369.553 4.063 20 0 FIADMP CCC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1 ZINC000482561530 1113295747 /nfs/dbraw/zinc/29/57/47/1113295747.db2.gz BNOQGUQAZFUTGI-IBGZPJMESA-N 2 1 350.934 4.416 20 0 FIADMP COc1ccc2cc([C@H](C)[NH2+]CC3([NH+]4CCCC4)CCOCC3)ccc2c1 ZINC000482554129 1113297981 /nfs/dbraw/zinc/29/79/81/1113297981.db2.gz GMPDNYQGAJHCTA-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000482873126 1113385300 /nfs/dbraw/zinc/38/53/00/1113385300.db2.gz KELPWFXHHMLAIO-NHCUHLMSSA-N 2 1 372.578 4.167 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(OCCCc2ccccc2)c1 ZINC000482906911 1113396668 /nfs/dbraw/zinc/39/66/68/1113396668.db2.gz WPMKRSDLBDXZNQ-YKSBVNFPSA-N 2 1 366.549 4.171 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)c2C1 ZINC000483208073 1113465534 /nfs/dbraw/zinc/46/55/34/1113465534.db2.gz YCSKLXDMKFFARC-GOSISDBHSA-N 2 1 355.526 4.005 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)c2C1 ZINC000483208073 1113465539 /nfs/dbraw/zinc/46/55/39/1113465539.db2.gz YCSKLXDMKFFARC-GOSISDBHSA-N 2 1 355.526 4.005 20 0 FIADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2C1 ZINC000483208073 1113465543 /nfs/dbraw/zinc/46/55/43/1113465543.db2.gz YCSKLXDMKFFARC-GOSISDBHSA-N 2 1 355.526 4.005 20 0 FIADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2C1 ZINC000483208073 1113465548 /nfs/dbraw/zinc/46/55/48/1113465548.db2.gz YCSKLXDMKFFARC-GOSISDBHSA-N 2 1 355.526 4.005 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483264693 1113476362 /nfs/dbraw/zinc/47/63/62/1113476362.db2.gz GLTAMNJGCCIWEN-UHFFFAOYSA-N 2 1 371.431 4.413 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000483276400 1113478514 /nfs/dbraw/zinc/47/85/14/1113478514.db2.gz NAAJYYYSENOOFV-GHTZIAJQSA-N 2 1 357.542 4.264 20 0 FIADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000483276400 1113478516 /nfs/dbraw/zinc/47/85/16/1113478516.db2.gz NAAJYYYSENOOFV-GHTZIAJQSA-N 2 1 357.542 4.264 20 0 FIADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000483276400 1113478518 /nfs/dbraw/zinc/47/85/18/1113478518.db2.gz NAAJYYYSENOOFV-GHTZIAJQSA-N 2 1 357.542 4.264 20 0 FIADMP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486461859 1113572635 /nfs/dbraw/zinc/57/26/35/1113572635.db2.gz PQAOILFBWFSTDI-VOLZKQTNSA-N 2 1 350.506 4.209 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489868 1113577221 /nfs/dbraw/zinc/57/72/21/1113577221.db2.gz PFPCJMJRTUMCPP-CVDCTZTESA-N 2 1 374.532 4.087 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486708758 1113627232 /nfs/dbraw/zinc/62/72/32/1113627232.db2.gz KHDXSYZFXXNAEB-IERDGZPVSA-N 2 1 351.469 4.307 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717113 1113628194 /nfs/dbraw/zinc/62/81/94/1113628194.db2.gz MZQHMMYSCUNQFB-OXQOHEQNSA-N 2 1 351.469 4.450 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489524338 1114124183 /nfs/dbraw/zinc/12/41/83/1114124183.db2.gz VCLGGPAQBCGLGD-KBPBESRZSA-N 2 1 357.311 4.359 20 0 FIADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](CC3CC3)CC1)CCCC2 ZINC000489581482 1114135514 /nfs/dbraw/zinc/13/55/14/1114135514.db2.gz GJHQUOMFGNUOEK-QFIPXVFZSA-N 2 1 354.538 4.243 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)c(F)c1 ZINC000489611994 1114144053 /nfs/dbraw/zinc/14/40/53/1114144053.db2.gz QXGGHWAKHAAGMO-LBPRGKRZSA-N 2 1 355.295 4.256 20 0 FIADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(Br)c1 ZINC000570603872 1114201498 /nfs/dbraw/zinc/20/14/98/1114201498.db2.gz ITDKCSWKNDAWMG-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(C(F)(F)F)c1 ZINC001212145019 1114416807 /nfs/dbraw/zinc/41/68/07/1114416807.db2.gz JLXJPSXBXHHCGH-HNNXBMFYSA-N 2 1 370.419 4.232 20 0 FIADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000571006382 1114427789 /nfs/dbraw/zinc/42/77/89/1114427789.db2.gz ROBYWWQJAMIWCM-QXAHSBQVSA-N 2 1 356.460 4.323 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c(F)cn1 ZINC000571711079 1114493746 /nfs/dbraw/zinc/49/37/46/1114493746.db2.gz SYIBXLJJTNRONP-MRXNPFEDSA-N 2 1 357.473 4.066 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)c1 ZINC000589837938 1114847243 /nfs/dbraw/zinc/84/72/43/1114847243.db2.gz KLFIVBMZYAHDRE-FGZHOGPDSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)c1 ZINC000589837938 1114847248 /nfs/dbraw/zinc/84/72/48/1114847248.db2.gz KLFIVBMZYAHDRE-FGZHOGPDSA-N 2 1 354.469 4.121 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611272 1114952719 /nfs/dbraw/zinc/95/27/19/1114952719.db2.gz DXJYVBYPDMUPEP-ISKFKSNPSA-N 2 1 359.517 4.406 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611272 1114952721 /nfs/dbraw/zinc/95/27/21/1114952721.db2.gz DXJYVBYPDMUPEP-ISKFKSNPSA-N 2 1 359.517 4.406 20 0 FIADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)CCO2 ZINC000646103474 1114968150 /nfs/dbraw/zinc/96/81/50/1114968150.db2.gz VMRQDHQZKWCAEF-NRFANRHFSA-N 2 1 370.924 4.226 20 0 FIADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)CCO2 ZINC000646103474 1114968155 /nfs/dbraw/zinc/96/81/55/1114968155.db2.gz VMRQDHQZKWCAEF-NRFANRHFSA-N 2 1 370.924 4.226 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000590787068 1114973899 /nfs/dbraw/zinc/97/38/99/1114973899.db2.gz VWEPBLUHNMMRCS-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000590787068 1114973901 /nfs/dbraw/zinc/97/39/01/1114973901.db2.gz VWEPBLUHNMMRCS-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001168400310 1115033251 /nfs/dbraw/zinc/03/32/51/1115033251.db2.gz MBNUCMNKLJMXPA-XQUALCHDSA-N 2 1 364.508 4.468 20 0 FIADMP C[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000574081822 1115285248 /nfs/dbraw/zinc/28/52/48/1115285248.db2.gz NHAAQJIDXVYRNV-MRXNPFEDSA-N 2 1 370.459 4.044 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC000574062424 1115288378 /nfs/dbraw/zinc/28/83/78/1115288378.db2.gz TZZIUVHSOJESPB-FIKGOQFSSA-N 2 1 368.512 4.013 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593685894 1115339142 /nfs/dbraw/zinc/33/91/42/1115339142.db2.gz BUCSQQXWCTTWPI-PMACEKPBSA-N 2 1 358.526 4.021 20 0 FIADMP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000574395583 1115359783 /nfs/dbraw/zinc/35/97/83/1115359783.db2.gz CGXZRMMUEPSFGC-LAUBAEHRSA-N 2 1 351.494 4.008 20 0 FIADMP FC(F)(F)[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000761049515 1115405032 /nfs/dbraw/zinc/40/50/32/1115405032.db2.gz HWYYWNKAPHDNIB-ZIAGYGMSSA-N 2 1 360.386 4.315 20 0 FIADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000574624089 1115429928 /nfs/dbraw/zinc/42/99/28/1115429928.db2.gz HOQPEPGMJRQEHT-GGAORHGYSA-N 2 1 355.570 4.209 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Br)cn1 ZINC000574811641 1115496922 /nfs/dbraw/zinc/49/69/22/1115496922.db2.gz LSQUIZZYCPZDLZ-GJZGRUSLSA-N 2 1 354.336 4.007 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000669614185 1115665873 /nfs/dbraw/zinc/66/58/73/1115665873.db2.gz CTEQNYKJCMBZHJ-VQTJNVASSA-N 2 1 359.517 4.137 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000669614184 1115666021 /nfs/dbraw/zinc/66/60/21/1115666021.db2.gz CTEQNYKJCMBZHJ-UXHICEINSA-N 2 1 359.517 4.137 20 0 FIADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614550 1115668124 /nfs/dbraw/zinc/66/81/24/1115668124.db2.gz YLSRVWJVXMPCTO-NFBKMPQASA-N 2 1 364.533 4.227 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccc(O)c1 ZINC000669617958 1115673050 /nfs/dbraw/zinc/67/30/50/1115673050.db2.gz MIRPLCFMBPGTRZ-HQAQVQPGSA-N 2 1 350.506 4.344 20 0 FIADMP COc1cccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1F ZINC000669683282 1115779130 /nfs/dbraw/zinc/77/91/30/1115779130.db2.gz OTJUDYMITVBZSF-IAGOWNOFSA-N 2 1 356.485 4.081 20 0 FIADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000599333839 1115808688 /nfs/dbraw/zinc/80/86/88/1115808688.db2.gz ZYJQRMNMBAWOGS-IBGZPJMESA-N 2 1 373.585 4.159 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061483 1116079843 /nfs/dbraw/zinc/07/98/43/1116079843.db2.gz FMQIQWJMYVKTHX-LPHOPBHVSA-N 2 1 358.913 4.491 20 0 FIADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)s1 ZINC000534229672 1116170996 /nfs/dbraw/zinc/17/09/96/1116170996.db2.gz HVXYJFUWSQIARA-UHFFFAOYSA-N 2 1 355.551 4.248 20 0 FIADMP C[N@@H+](CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Cc1ccccc1 ZINC000534354020 1116188136 /nfs/dbraw/zinc/18/81/36/1116188136.db2.gz XCCIWSHIFYVRDX-JTHBVZDNSA-N 2 1 352.522 4.266 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000509449415 1116198476 /nfs/dbraw/zinc/19/84/76/1116198476.db2.gz PPCRZUPXVZYFND-HSZRJFAPSA-N 2 1 374.532 4.263 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000509449415 1116198477 /nfs/dbraw/zinc/19/84/77/1116198477.db2.gz PPCRZUPXVZYFND-HSZRJFAPSA-N 2 1 374.532 4.263 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000509449419 1116198565 /nfs/dbraw/zinc/19/85/65/1116198565.db2.gz PPCRZUPXVZYFND-QHCPKHFHSA-N 2 1 374.532 4.263 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000509449419 1116198566 /nfs/dbraw/zinc/19/85/66/1116198566.db2.gz PPCRZUPXVZYFND-QHCPKHFHSA-N 2 1 374.532 4.263 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000534453971 1116200740 /nfs/dbraw/zinc/20/07/40/1116200740.db2.gz ZLUBOOUXWXXLBY-UHFFFAOYSA-N 2 1 356.558 4.385 20 0 FIADMP Cc1nc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758298 1116235209 /nfs/dbraw/zinc/23/52/09/1116235209.db2.gz YBHLEBZIQBYRBG-OAHLLOKOSA-N 2 1 356.857 4.026 20 0 FIADMP Cc1nc(CN2CC[C@@H](c3nccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758298 1116235212 /nfs/dbraw/zinc/23/52/12/1116235212.db2.gz YBHLEBZIQBYRBG-OAHLLOKOSA-N 2 1 356.857 4.026 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000539405570 1116331985 /nfs/dbraw/zinc/33/19/85/1116331985.db2.gz CYFXCLGKMPSVNH-GOSISDBHSA-N 2 1 354.542 4.050 20 0 FIADMP CSCc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000508853551 1116338641 /nfs/dbraw/zinc/33/86/41/1116338641.db2.gz AFCAVSODBSDNSG-UHFFFAOYSA-N 2 1 353.601 4.094 20 0 FIADMP Brc1cccc(C2([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000539653199 1116359048 /nfs/dbraw/zinc/35/90/48/1116359048.db2.gz OYLBMRHACPWUEQ-UHFFFAOYSA-N 2 1 363.343 4.435 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835170 1116388929 /nfs/dbraw/zinc/38/89/29/1116388929.db2.gz HSUCKNYYWSUSRN-YCRPNKLZSA-N 2 1 374.960 4.305 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000462690330 1116391284 /nfs/dbraw/zinc/39/12/84/1116391284.db2.gz ZHGHTSLWCCKMPH-IYBDPMFKSA-N 2 1 358.448 4.085 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000462690330 1116391285 /nfs/dbraw/zinc/39/12/85/1116391285.db2.gz ZHGHTSLWCCKMPH-IYBDPMFKSA-N 2 1 358.448 4.085 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000462808192 1117789169 /nfs/dbraw/zinc/78/91/69/1117789169.db2.gz NZMLSRZKWZRTFV-JUXOCIIHSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000462808192 1117789173 /nfs/dbraw/zinc/78/91/73/1117789173.db2.gz NZMLSRZKWZRTFV-JUXOCIIHSA-N 2 1 350.506 4.412 20 0 FIADMP c1cc2[nH+]ccc(NCc3ccc(OCC[NH+]4CCCC4)cc3)c2s1 ZINC000462839775 1117807762 /nfs/dbraw/zinc/80/77/62/1117807762.db2.gz KPKBAZYAOFWGMJ-UHFFFAOYSA-N 2 1 353.491 4.383 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152731 1117906842 /nfs/dbraw/zinc/90/68/42/1117906842.db2.gz NQLAIYROWSTSPV-HKUYNNGSSA-N 2 1 372.532 4.338 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152731 1117906843 /nfs/dbraw/zinc/90/68/43/1117906843.db2.gz NQLAIYROWSTSPV-HKUYNNGSSA-N 2 1 372.532 4.338 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000540262759 1117962949 /nfs/dbraw/zinc/96/29/49/1117962949.db2.gz HTPBALLKZWMMTA-XMMPIXPASA-N 2 1 363.549 4.065 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000463109394 1117967845 /nfs/dbraw/zinc/96/78/45/1117967845.db2.gz QWNKVUACQVMJGM-OAQYLSRUSA-N 2 1 368.569 4.323 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000463112205 1117969732 /nfs/dbraw/zinc/96/97/32/1117969732.db2.gz TUNQLRSYZAQSIQ-REWPJTCUSA-N 2 1 374.532 4.058 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1Cc1ccccc1 ZINC000463112205 1117969734 /nfs/dbraw/zinc/96/97/34/1117969734.db2.gz TUNQLRSYZAQSIQ-REWPJTCUSA-N 2 1 374.532 4.058 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000463113271 1117969822 /nfs/dbraw/zinc/96/98/22/1117969822.db2.gz BIIXSBUWKDGXCU-HKUYNNGSSA-N 2 1 357.567 4.452 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000463113271 1117969824 /nfs/dbraw/zinc/96/98/24/1117969824.db2.gz BIIXSBUWKDGXCU-HKUYNNGSSA-N 2 1 357.567 4.452 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4c3cccc4F)CC2)cc1 ZINC000463115068 1117970139 /nfs/dbraw/zinc/97/01/39/1117970139.db2.gz IMUNNRMWFNGKBM-QFIPXVFZSA-N 2 1 356.460 4.249 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124310 1117973335 /nfs/dbraw/zinc/97/33/35/1117973335.db2.gz MUMRYZSQTRHSIF-HNAYVOBHSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124310 1117973339 /nfs/dbraw/zinc/97/33/39/1117973339.db2.gz MUMRYZSQTRHSIF-HNAYVOBHSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130463 1117976408 /nfs/dbraw/zinc/97/64/08/1117976408.db2.gz WNWLUKXCYQRGBI-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130463 1117976413 /nfs/dbraw/zinc/97/64/13/1117976413.db2.gz WNWLUKXCYQRGBI-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000540302771 1117977231 /nfs/dbraw/zinc/97/72/31/1117977231.db2.gz UCDKWQHFFJNOTG-SFHVURJKSA-N 2 1 359.341 4.391 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C[C@H](C)O1 ZINC000540320795 1117983448 /nfs/dbraw/zinc/98/34/48/1117983448.db2.gz NBCVVPQVYKWUJS-YRNRMSPPSA-N 2 1 350.934 4.270 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463134155 1117984337 /nfs/dbraw/zinc/98/43/37/1117984337.db2.gz XQFBEYHXRXSUSZ-DENIHFKCSA-N 2 1 352.522 4.189 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463134155 1117984339 /nfs/dbraw/zinc/98/43/39/1117984339.db2.gz XQFBEYHXRXSUSZ-DENIHFKCSA-N 2 1 352.522 4.189 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3(c4ccccc4)CC3)CC2)cc1 ZINC000463137461 1117985595 /nfs/dbraw/zinc/98/55/95/1117985595.db2.gz KTZWKUCKTHLSGB-UHFFFAOYSA-N 2 1 352.497 4.154 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000463150701 1117993266 /nfs/dbraw/zinc/99/32/66/1117993266.db2.gz XMIREHFMXWXMTB-MSOLQXFVSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000463150701 1117993270 /nfs/dbraw/zinc/99/32/70/1117993270.db2.gz XMIREHFMXWXMTB-MSOLQXFVSA-N 2 1 363.977 4.157 20 0 FIADMP COc1ccc([C@@H](C)CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463190673 1118008109 /nfs/dbraw/zinc/00/81/09/1118008109.db2.gz KOXVOIQVZMCXMF-FQEVSTJZSA-N 2 1 366.549 4.486 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463204031 1118019495 /nfs/dbraw/zinc/01/94/95/1118019495.db2.gz IDCIGBCOQZDPIU-ZVDOUQERSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463204031 1118019504 /nfs/dbraw/zinc/01/95/04/1118019504.db2.gz IDCIGBCOQZDPIU-ZVDOUQERSA-N 2 1 368.521 4.105 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)C1 ZINC000540409273 1118037423 /nfs/dbraw/zinc/03/74/23/1118037423.db2.gz UZFOLHSJSAKFIN-OGHNNQOOSA-N 2 1 369.372 4.163 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279886 1118067102 /nfs/dbraw/zinc/06/71/02/1118067102.db2.gz KIIMKFKCLGHTJJ-OUJCMCIWSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279886 1118067105 /nfs/dbraw/zinc/06/71/05/1118067105.db2.gz KIIMKFKCLGHTJJ-OUJCMCIWSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279886 1118067147 /nfs/dbraw/zinc/06/71/47/1118067147.db2.gz KIIMKFKCLGHTJJ-OUJCMCIWSA-N 2 1 363.549 4.075 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC000463285602 1118070391 /nfs/dbraw/zinc/07/03/91/1118070391.db2.gz GFUQOTDLGKJIHX-JLMWRMLUSA-N 2 1 366.505 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC000463285602 1118070394 /nfs/dbraw/zinc/07/03/94/1118070394.db2.gz GFUQOTDLGKJIHX-JLMWRMLUSA-N 2 1 366.505 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC000463285605 1118070407 /nfs/dbraw/zinc/07/04/07/1118070407.db2.gz GFUQOTDLGKJIHX-JUXOCIIHSA-N 2 1 366.505 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC000463285605 1118070415 /nfs/dbraw/zinc/07/04/15/1118070415.db2.gz GFUQOTDLGKJIHX-JUXOCIIHSA-N 2 1 366.505 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC000463285607 1118070578 /nfs/dbraw/zinc/07/05/78/1118070578.db2.gz GFUQOTDLGKJIHX-KPLVRAHFSA-N 2 1 366.505 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCO2 ZINC000463285607 1118070582 /nfs/dbraw/zinc/07/05/82/1118070582.db2.gz GFUQOTDLGKJIHX-KPLVRAHFSA-N 2 1 366.505 4.162 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000463284507 1118070816 /nfs/dbraw/zinc/07/08/16/1118070816.db2.gz DQQIZGOVLZBOJA-FXAWDEMLSA-N 2 1 355.551 4.336 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000463284507 1118070821 /nfs/dbraw/zinc/07/08/21/1118070821.db2.gz DQQIZGOVLZBOJA-FXAWDEMLSA-N 2 1 355.551 4.336 20 0 FIADMP CC(C)CSCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463288263 1118084399 /nfs/dbraw/zinc/08/43/99/1118084399.db2.gz ZVQHAIRGBQDJAE-UHFFFAOYSA-N 2 1 352.563 4.202 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCNc3cccc(F)c3)CC2)cc1 ZINC000463288101 1118084886 /nfs/dbraw/zinc/08/48/86/1118084886.db2.gz LKVMRQDVBQFTDH-UHFFFAOYSA-N 2 1 373.491 4.064 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000540494461 1118091950 /nfs/dbraw/zinc/09/19/50/1118091950.db2.gz BFGAAUDVQRMJTO-XLIONFOSSA-N 2 1 368.525 4.103 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645826 1118172428 /nfs/dbraw/zinc/17/24/28/1118172428.db2.gz LITWJRXMBDJTHM-VGSWGCGISA-N 2 1 356.510 4.220 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540748029 1118231758 /nfs/dbraw/zinc/23/17/58/1118231758.db2.gz NWCVFWRBRLCMEX-CVDCTZTESA-N 2 1 351.538 4.379 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000540988115 1118340036 /nfs/dbraw/zinc/34/00/36/1118340036.db2.gz GKEMNGJJZGSXCX-BJKOFHAPSA-N 2 1 364.533 4.274 20 0 FIADMP CCCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000540990145 1118340982 /nfs/dbraw/zinc/34/09/82/1118340982.db2.gz DOHYCVOUZAJYIY-DVECYGJZSA-N 2 1 366.549 4.447 20 0 FIADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000540992370 1118342035 /nfs/dbraw/zinc/34/20/35/1118342035.db2.gz VTPMGSYITYDTFY-UGKGYDQZSA-N 2 1 352.522 4.111 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000464056331 1118427334 /nfs/dbraw/zinc/42/73/34/1118427334.db2.gz XWVWCWGTOFBQCZ-INIZCTEOSA-N 2 1 350.934 4.483 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000464056331 1118427336 /nfs/dbraw/zinc/42/73/36/1118427336.db2.gz XWVWCWGTOFBQCZ-INIZCTEOSA-N 2 1 350.934 4.483 20 0 FIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599919 1118574986 /nfs/dbraw/zinc/57/49/86/1118574986.db2.gz QGTHYHJAJMJZIR-ZWKOTPCHSA-N 2 1 371.569 4.165 20 0 FIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599919 1118574990 /nfs/dbraw/zinc/57/49/90/1118574990.db2.gz QGTHYHJAJMJZIR-ZWKOTPCHSA-N 2 1 371.569 4.165 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000541914737 1118699213 /nfs/dbraw/zinc/69/92/13/1118699213.db2.gz IXBJQEQHXFUOIN-GQIGUUNPSA-N 2 1 354.485 4.141 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916188 1118707069 /nfs/dbraw/zinc/70/70/69/1118707069.db2.gz FDZPVNSOZPVQGH-RHSMWYFYSA-N 2 1 360.489 4.431 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916188 1118707071 /nfs/dbraw/zinc/70/70/71/1118707071.db2.gz FDZPVNSOZPVQGH-RHSMWYFYSA-N 2 1 360.489 4.431 20 0 FIADMP C[N@H+](CCc1cccc(F)c1F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000542256949 1118871120 /nfs/dbraw/zinc/87/11/20/1118871120.db2.gz CRIOGTVPAVWEBI-UHFFFAOYSA-N 2 1 359.464 4.141 20 0 FIADMP C[N@@H+]1CCCC12CC[NH+](CC/C=C\c1ccc(Br)cc1)CC2 ZINC000542265268 1118875725 /nfs/dbraw/zinc/87/57/25/1118875725.db2.gz HKPJBERGWVIEKA-DJWKRKHSSA-N 2 1 363.343 4.413 20 0 FIADMP C[N@H+]1CCCC12CC[NH+](CC/C=C\c1ccc(Br)cc1)CC2 ZINC000542265268 1118875728 /nfs/dbraw/zinc/87/57/28/1118875728.db2.gz HKPJBERGWVIEKA-DJWKRKHSSA-N 2 1 363.343 4.413 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2Br)C[C@@H]1C ZINC000542279467 1118879548 /nfs/dbraw/zinc/87/95/48/1118879548.db2.gz XWBWSVOORDZIFE-DOTOQJQBSA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2Br)C[C@@H]1C ZINC000542279467 1118879554 /nfs/dbraw/zinc/87/95/54/1118879554.db2.gz XWBWSVOORDZIFE-DOTOQJQBSA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2Br)C[C@@H]1C ZINC000542279467 1118879560 /nfs/dbraw/zinc/87/95/60/1118879560.db2.gz XWBWSVOORDZIFE-DOTOQJQBSA-N 2 1 353.348 4.186 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000492259567 1119056003 /nfs/dbraw/zinc/05/60/03/1119056003.db2.gz QEXBXOFEECWZSW-PXAZEXFGSA-N 2 1 362.315 4.176 20 0 FIADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445916 1119176813 /nfs/dbraw/zinc/17/68/13/1119176813.db2.gz NALVNILEQFZZDH-QHCPKHFHSA-N 2 1 370.487 4.419 20 0 FIADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445916 1119176815 /nfs/dbraw/zinc/17/68/15/1119176815.db2.gz NALVNILEQFZZDH-QHCPKHFHSA-N 2 1 370.487 4.419 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000542464995 1119304099 /nfs/dbraw/zinc/30/40/99/1119304099.db2.gz YTDIADPLMOFMAJ-OAQYLSRUSA-N 2 1 364.518 4.174 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000542464995 1119304102 /nfs/dbraw/zinc/30/41/02/1119304102.db2.gz YTDIADPLMOFMAJ-OAQYLSRUSA-N 2 1 364.518 4.174 20 0 FIADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000311072870 1119357099 /nfs/dbraw/zinc/35/70/99/1119357099.db2.gz KLIAHLOXIYVSHG-APWZRJJASA-N 2 1 358.913 4.349 20 0 FIADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000311803564 1119389928 /nfs/dbraw/zinc/38/99/28/1119389928.db2.gz NXBDADUTKBHUEY-QGZVFWFLSA-N 2 1 366.402 4.456 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000311821914 1119390789 /nfs/dbraw/zinc/39/07/89/1119390789.db2.gz QOIJKFPAGQKHEI-MSYCTHLASA-N 2 1 352.522 4.126 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000178695515 1119403588 /nfs/dbraw/zinc/40/35/88/1119403588.db2.gz JYUDNMRINAKRSU-OAQYLSRUSA-N 2 1 350.510 4.120 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000178786340 1119409127 /nfs/dbraw/zinc/40/91/27/1119409127.db2.gz JRKZCENGJZWIML-GFCCVEGCSA-N 2 1 354.267 4.224 20 0 FIADMP COc1ccc2cc(C[N@@H+](C)Cc3cn(-c4cc[nH+]cc4)nc3C)ccc2c1 ZINC000542466442 1119451224 /nfs/dbraw/zinc/45/12/24/1119451224.db2.gz KDNHRSZNOWSVCH-UHFFFAOYSA-N 2 1 372.472 4.370 20 0 FIADMP C[C@H]([NH2+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1)c1ccccc1 ZINC000493869983 1119500907 /nfs/dbraw/zinc/50/09/07/1119500907.db2.gz CXWCNSXYVJRYRQ-FYZZASKESA-N 2 1 354.538 4.197 20 0 FIADMP CCCc1csc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000494177104 1119551402 /nfs/dbraw/zinc/55/14/02/1119551402.db2.gz UNCODCHYXALAQJ-PKOBYXMFSA-N 2 1 357.567 4.486 20 0 FIADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183155286 1119567283 /nfs/dbraw/zinc/56/72/83/1119567283.db2.gz GSSAIRGZWAVIIX-YPVJZLTNSA-N 2 1 367.537 4.285 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000542475640 1119597575 /nfs/dbraw/zinc/59/75/75/1119597575.db2.gz CIVRBELCZMIYEO-WQCNXYOZSA-N 2 1 370.459 4.245 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000542475640 1119597580 /nfs/dbraw/zinc/59/75/80/1119597580.db2.gz CIVRBELCZMIYEO-WQCNXYOZSA-N 2 1 370.459 4.245 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000494464311 1119869198 /nfs/dbraw/zinc/86/91/98/1119869198.db2.gz PYDRYGFOPVFLDP-UHFFFAOYSA-N 2 1 357.473 4.366 20 0 FIADMP c1cn(-c2ccccc2)c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000190707122 1119945429 /nfs/dbraw/zinc/94/54/29/1119945429.db2.gz UNGQOANHJADHRO-UHFFFAOYSA-N 2 1 360.505 4.148 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191188419 1119964109 /nfs/dbraw/zinc/96/41/09/1119964109.db2.gz OSAPQOUKBCVVJU-UHFFFAOYSA-N 2 1 362.724 4.239 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191295282 1119969896 /nfs/dbraw/zinc/96/98/96/1119969896.db2.gz FGVRRZGFCAASRT-KNQAVFIVSA-N 2 1 366.553 4.069 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191295282 1119969897 /nfs/dbraw/zinc/96/98/97/1119969897.db2.gz FGVRRZGFCAASRT-KNQAVFIVSA-N 2 1 366.553 4.069 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3csc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000191329306 1119971554 /nfs/dbraw/zinc/97/15/54/1119971554.db2.gz VNVNNDYPAITHSC-LBPRGKRZSA-N 2 1 350.919 4.128 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CCS2 ZINC000191547258 1119983363 /nfs/dbraw/zinc/98/33/63/1119983363.db2.gz JPOVLYGLMQDKSX-TWOQFEAHSA-N 2 1 360.567 4.475 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000191571197 1119985097 /nfs/dbraw/zinc/98/50/97/1119985097.db2.gz ABTDOMDKHDNJSH-HSZRJFAPSA-N 2 1 368.569 4.111 20 0 FIADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192727647 1120078807 /nfs/dbraw/zinc/07/88/07/1120078807.db2.gz JZJUYAZFAHHKKK-DHIUTWEWSA-N 2 1 357.586 4.061 20 0 FIADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000192918018 1120090751 /nfs/dbraw/zinc/09/07/51/1120090751.db2.gz LOGYDZLGZSKIOM-LJQANCHMSA-N 2 1 356.535 4.029 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000192935405 1120091480 /nfs/dbraw/zinc/09/14/80/1120091480.db2.gz JHHSCCURISSMBP-SFLYRZDNSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000192935405 1120091485 /nfs/dbraw/zinc/09/14/85/1120091485.db2.gz JHHSCCURISSMBP-SFLYRZDNSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000192935405 1120091489 /nfs/dbraw/zinc/09/14/89/1120091489.db2.gz JHHSCCURISSMBP-SFLYRZDNSA-N 3 1 369.597 4.141 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132428 1120119370 /nfs/dbraw/zinc/11/93/70/1120119370.db2.gz JRXJOOUDBYLEMS-XLIONFOSSA-N 2 1 354.542 4.119 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530231 1120408986 /nfs/dbraw/zinc/40/89/86/1120408986.db2.gz CPTICDNVQGKBEB-HIFRSBDPSA-N 2 1 369.322 4.331 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530231 1120408988 /nfs/dbraw/zinc/40/89/88/1120408988.db2.gz CPTICDNVQGKBEB-HIFRSBDPSA-N 2 1 369.322 4.331 20 0 FIADMP C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534264 1120435872 /nfs/dbraw/zinc/43/58/72/1120435872.db2.gz RNHNTTUBGLLMTL-IAGOWNOFSA-N 2 1 350.934 4.352 20 0 FIADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000228927307 1120454741 /nfs/dbraw/zinc/45/47/41/1120454741.db2.gz BBUSTTIOUWKNMR-IXDOHACOSA-N 2 1 350.934 4.222 20 0 FIADMP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000495261130 1120596543 /nfs/dbraw/zinc/59/65/43/1120596543.db2.gz UTUTXEBEDHZOEY-LAUBAEHRSA-N 2 1 355.913 4.093 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495443816 1120817914 /nfs/dbraw/zinc/81/79/14/1120817914.db2.gz FHZXCRXAFPTHML-RZUBCFFCSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(Br)ncc1F ZINC000762736734 1120956716 /nfs/dbraw/zinc/95/67/16/1120956716.db2.gz RRFLNDBMTBEWCX-UONOGXRCSA-N 2 1 372.326 4.288 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000237585885 1120979930 /nfs/dbraw/zinc/97/99/30/1120979930.db2.gz SIAJOPRRHKMDGW-QGZVFWFLSA-N 2 1 367.468 4.336 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000762926871 1120998960 /nfs/dbraw/zinc/99/89/60/1120998960.db2.gz WXOSPOFQBFJAMH-HSZRJFAPSA-N 2 1 363.505 4.126 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000762926871 1120998962 /nfs/dbraw/zinc/99/89/62/1120998962.db2.gz WXOSPOFQBFJAMH-HSZRJFAPSA-N 2 1 363.505 4.126 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000915682827 1121020685 /nfs/dbraw/zinc/02/06/85/1121020685.db2.gz RUXLGPHBIWCSBU-WOJBJXKFSA-N 2 1 360.542 4.371 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000915682827 1121020694 /nfs/dbraw/zinc/02/06/94/1121020694.db2.gz RUXLGPHBIWCSBU-WOJBJXKFSA-N 2 1 360.542 4.371 20 0 FIADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2)s1 ZINC000542666114 1121025386 /nfs/dbraw/zinc/02/53/86/1121025386.db2.gz JKNXKKLZWXGSFE-GOSISDBHSA-N 2 1 371.594 4.339 20 0 FIADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Br)s3)s2)C1 ZINC001235750973 1121116029 /nfs/dbraw/zinc/11/60/29/1121116029.db2.gz TXXYXMRPHGSZIZ-SNVBAGLBSA-N 2 1 357.342 4.020 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000542669120 1121165805 /nfs/dbraw/zinc/16/58/05/1121165805.db2.gz VLKDMMJRTSNOFP-OAQYLSRUSA-N 2 1 354.542 4.426 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000542669120 1121165808 /nfs/dbraw/zinc/16/58/08/1121165808.db2.gz VLKDMMJRTSNOFP-OAQYLSRUSA-N 2 1 354.542 4.426 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc(Cl)c1OC ZINC000061029134 1121504370 /nfs/dbraw/zinc/50/43/70/1121504370.db2.gz BPRGUZFILPDMBO-OAHLLOKOSA-N 2 1 354.922 4.101 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc(Cl)c1OC ZINC000061029134 1121504380 /nfs/dbraw/zinc/50/43/80/1121504380.db2.gz BPRGUZFILPDMBO-OAHLLOKOSA-N 2 1 354.922 4.101 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)CC1 ZINC000061070069 1121507021 /nfs/dbraw/zinc/50/70/21/1121507021.db2.gz RLPCTNJHTQSFED-UHFFFAOYSA-N 2 1 373.544 4.267 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000123458994 1121577305 /nfs/dbraw/zinc/57/73/05/1121577305.db2.gz DOZOKASRVSEEGR-KNQAVFIVSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000123458994 1121577311 /nfs/dbraw/zinc/57/73/11/1121577311.db2.gz DOZOKASRVSEEGR-KNQAVFIVSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123458994 1121577316 /nfs/dbraw/zinc/57/73/16/1121577316.db2.gz DOZOKASRVSEEGR-KNQAVFIVSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123458994 1121577325 /nfs/dbraw/zinc/57/73/25/1121577325.db2.gz DOZOKASRVSEEGR-KNQAVFIVSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763410969 1121580039 /nfs/dbraw/zinc/58/00/39/1121580039.db2.gz PRQMQCOFHUADGC-VNHKHXMHSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763410969 1121580045 /nfs/dbraw/zinc/58/00/45/1121580045.db2.gz PRQMQCOFHUADGC-VNHKHXMHSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763416163 1121581456 /nfs/dbraw/zinc/58/14/56/1121581456.db2.gz URZIVNLVNOQQDM-FKKSXTGDSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763416163 1121581466 /nfs/dbraw/zinc/58/14/66/1121581466.db2.gz URZIVNLVNOQQDM-FKKSXTGDSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744588 1121649557 /nfs/dbraw/zinc/64/95/57/1121649557.db2.gz NMBVCNQCXCYIOX-WMZOPIPTSA-N 2 1 365.477 4.096 20 0 FIADMP COc1ccc2oc(C[NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)cc2c1 ZINC000124289327 1121679991 /nfs/dbraw/zinc/67/99/91/1121679991.db2.gz GXXSEOYMYULDGQ-UHFFFAOYSA-N 2 1 365.408 4.364 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125183385 1121754102 /nfs/dbraw/zinc/75/41/02/1121754102.db2.gz YVNKMZIRSOTVBU-OALUTQOASA-N 2 1 354.542 4.281 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125183385 1121754106 /nfs/dbraw/zinc/75/41/06/1121754106.db2.gz YVNKMZIRSOTVBU-OALUTQOASA-N 2 1 354.542 4.281 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125183385 1121754108 /nfs/dbraw/zinc/75/41/08/1121754108.db2.gz YVNKMZIRSOTVBU-OALUTQOASA-N 2 1 354.542 4.281 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000125190114 1121754931 /nfs/dbraw/zinc/75/49/31/1121754931.db2.gz AKCZBPAPVJQGFF-SJORKVTESA-N 2 1 352.478 4.292 20 0 FIADMP Brc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)s1 ZINC000671764911 1121815339 /nfs/dbraw/zinc/81/53/39/1121815339.db2.gz UYKYVFXNUGVICK-KBPBESRZSA-N 2 1 369.372 4.149 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000126081088 1121918078 /nfs/dbraw/zinc/91/80/78/1121918078.db2.gz YYANIZUFBJDFNW-UHFFFAOYSA-N 2 1 369.484 4.042 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000126710281 1121978832 /nfs/dbraw/zinc/97/88/32/1121978832.db2.gz HFOBAWUCHLIZMF-GCJKJVERSA-N 2 1 372.553 4.114 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126802456 1121998221 /nfs/dbraw/zinc/99/82/21/1121998221.db2.gz MIDPGQJYHZUYSP-HZPDHXFCSA-N 2 1 362.514 4.459 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126802456 1121998223 /nfs/dbraw/zinc/99/82/23/1121998223.db2.gz MIDPGQJYHZUYSP-HZPDHXFCSA-N 2 1 362.514 4.459 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3cccc(F)c3)cc2)C1 ZINC000917006229 1121999350 /nfs/dbraw/zinc/99/93/50/1121999350.db2.gz MLCUDSVNYZZXHS-IXFSTUDKSA-N 2 1 370.512 4.127 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000917008228 1122000707 /nfs/dbraw/zinc/00/07/07/1122000707.db2.gz HKXZEZNXUSBREA-OPAMFIHVSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837560 1122015470 /nfs/dbraw/zinc/01/54/70/1122015470.db2.gz CRFSNDLUTXDSDK-IAGOWNOFSA-N 2 1 372.534 4.082 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837560 1122015478 /nfs/dbraw/zinc/01/54/78/1122015478.db2.gz CRFSNDLUTXDSDK-IAGOWNOFSA-N 2 1 372.534 4.082 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000126841821 1122016397 /nfs/dbraw/zinc/01/63/97/1122016397.db2.gz UFIPHDNJNAIRRG-QGZVFWFLSA-N 2 1 363.509 4.273 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897796 1122025632 /nfs/dbraw/zinc/02/56/32/1122025632.db2.gz QPNGAUWOCLDJJS-CVEARBPZSA-N 2 1 358.507 4.040 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897796 1122025661 /nfs/dbraw/zinc/02/56/61/1122025661.db2.gz QPNGAUWOCLDJJS-CVEARBPZSA-N 2 1 358.507 4.040 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000765805934 1122067365 /nfs/dbraw/zinc/06/73/65/1122067365.db2.gz AULBGMLDMMRKCV-ZPMCFJSWSA-N 2 1 372.940 4.048 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([N@H+](Cc3ccccc3)C[C@@H](C)C[NH3+])CCO2)cc1 ZINC001168615493 1122069649 /nfs/dbraw/zinc/06/96/49/1122069649.db2.gz OFDINLDFYPIIFB-ZEYPLWLESA-N 2 1 368.521 4.012 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000127290687 1122074691 /nfs/dbraw/zinc/07/46/91/1122074691.db2.gz DSZZZBYLDGQBKT-DLBZAZTESA-N 2 1 359.489 4.281 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000127289989 1122074721 /nfs/dbraw/zinc/07/47/21/1122074721.db2.gz DSZZZBYLDGQBKT-SJORKVTESA-N 2 1 359.489 4.281 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127742346 1122141579 /nfs/dbraw/zinc/14/15/79/1122141579.db2.gz KYHOKSGRYDWLLH-UHFFFAOYSA-N 2 1 350.506 4.422 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497387236 1122199618 /nfs/dbraw/zinc/19/96/18/1122199618.db2.gz QTELJIRKRUWCAA-HCUBDLJJSA-N 2 1 364.533 4.264 20 0 FIADMP C[C@@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000497593055 1122301094 /nfs/dbraw/zinc/30/10/94/1122301094.db2.gz WNPKVYUKGWPVLX-CTNGQTDRSA-N 2 1 371.569 4.031 20 0 FIADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC000401088544 1122318508 /nfs/dbraw/zinc/31/85/08/1122318508.db2.gz SVWUFVVOQRXMLJ-JOCHJYFZSA-N 2 1 351.538 4.131 20 0 FIADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC000401088544 1122318514 /nfs/dbraw/zinc/31/85/14/1122318514.db2.gz SVWUFVVOQRXMLJ-JOCHJYFZSA-N 2 1 351.538 4.131 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000556058721 1122628291 /nfs/dbraw/zinc/62/82/91/1122628291.db2.gz NNBDCXFKGGSJKO-SFHVURJKSA-N 2 1 357.517 4.047 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556076913 1122639049 /nfs/dbraw/zinc/63/90/49/1122639049.db2.gz RFFVNRJDRHDTBW-RTBURBONSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556076913 1122639051 /nfs/dbraw/zinc/63/90/51/1122639051.db2.gz RFFVNRJDRHDTBW-RTBURBONSA-N 2 1 359.311 4.374 20 0 FIADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000556089802 1122643709 /nfs/dbraw/zinc/64/37/09/1122643709.db2.gz MKWVMGISOCEJHT-GOSISDBHSA-N 2 1 372.557 4.009 20 0 FIADMP C[C@@H]1CC[NH+](C)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000556089802 1122643710 /nfs/dbraw/zinc/64/37/10/1122643710.db2.gz MKWVMGISOCEJHT-GOSISDBHSA-N 2 1 372.557 4.009 20 0 FIADMP C[C@@H]1CC[NH+](C)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000556089802 1122643715 /nfs/dbraw/zinc/64/37/15/1122643715.db2.gz MKWVMGISOCEJHT-GOSISDBHSA-N 2 1 372.557 4.009 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000556206160 1122730259 /nfs/dbraw/zinc/73/02/59/1122730259.db2.gz JMVYHEHHVBDSLL-IAGOWNOFSA-N 2 1 372.532 4.086 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000556228697 1122745605 /nfs/dbraw/zinc/74/56/05/1122745605.db2.gz DJEOUPBNTXESJZ-JSGCOSHPSA-N 2 1 373.766 4.452 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000130412633 1122843661 /nfs/dbraw/zinc/84/36/61/1122843661.db2.gz IWWHXTJAIQPTCP-WDSOQIARSA-N 2 1 370.459 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000130412633 1122843668 /nfs/dbraw/zinc/84/36/68/1122843668.db2.gz IWWHXTJAIQPTCP-WDSOQIARSA-N 2 1 370.459 4.103 20 0 FIADMP Cc1n[nH]cc1C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000556608734 1123003043 /nfs/dbraw/zinc/00/30/43/1123003043.db2.gz NNZYBNAMFKKRJF-UHFFFAOYSA-N 2 1 354.542 4.056 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000131610536 1123135086 /nfs/dbraw/zinc/13/50/86/1123135086.db2.gz PQLBJLMIBANUML-UHFFFAOYSA-N 2 1 368.344 4.460 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000131610536 1123135087 /nfs/dbraw/zinc/13/50/87/1123135087.db2.gz PQLBJLMIBANUML-UHFFFAOYSA-N 2 1 368.344 4.460 20 0 FIADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556871808 1123152788 /nfs/dbraw/zinc/15/27/88/1123152788.db2.gz MXXHRQKNRHDLBI-JMJGKCIBSA-N 2 1 358.570 4.066 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556890735 1123176318 /nfs/dbraw/zinc/17/63/18/1123176318.db2.gz VMCZYFFMKBSXIF-SQNIBIBYSA-N 2 1 360.542 4.316 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000556926412 1123228214 /nfs/dbraw/zinc/22/82/14/1123228214.db2.gz LCSAEDILSBQQJH-IBGZPJMESA-N 2 1 365.521 4.179 20 0 FIADMP C[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925944 1123237370 /nfs/dbraw/zinc/23/73/70/1123237370.db2.gz OEGLLRBMLAGMHK-NVXWUHKLSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925944 1123237372 /nfs/dbraw/zinc/23/73/72/1123237372.db2.gz OEGLLRBMLAGMHK-NVXWUHKLSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925944 1123237376 /nfs/dbraw/zinc/23/73/76/1123237376.db2.gz OEGLLRBMLAGMHK-NVXWUHKLSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925944 1123237377 /nfs/dbraw/zinc/23/73/77/1123237377.db2.gz OEGLLRBMLAGMHK-NVXWUHKLSA-N 2 1 365.359 4.216 20 0 FIADMP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000132327074 1123242776 /nfs/dbraw/zinc/24/27/76/1123242776.db2.gz JIPHKSBLHQUVMX-LJQANCHMSA-N 2 1 368.521 4.027 20 0 FIADMP C[N@@H+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499141161 1123282542 /nfs/dbraw/zinc/28/25/42/1123282542.db2.gz ZIBUREWRPJOVML-MUSUJDOFSA-N 2 1 355.570 4.036 20 0 FIADMP C[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499141161 1123282544 /nfs/dbraw/zinc/28/25/44/1123282544.db2.gz ZIBUREWRPJOVML-MUSUJDOFSA-N 2 1 355.570 4.036 20 0 FIADMP C[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499141161 1123282549 /nfs/dbraw/zinc/28/25/49/1123282549.db2.gz ZIBUREWRPJOVML-MUSUJDOFSA-N 2 1 355.570 4.036 20 0 FIADMP Fc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1F ZINC000499218920 1123333914 /nfs/dbraw/zinc/33/39/14/1123333914.db2.gz ZIZCTOMDVNGEJX-ACDBMABISA-N 2 1 356.460 4.293 20 0 FIADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232946 1123341543 /nfs/dbraw/zinc/34/15/43/1123341543.db2.gz ZFUNUWZLYUSKAJ-MVWVFHAYSA-N 2 1 368.496 4.378 20 0 FIADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232944 1123341637 /nfs/dbraw/zinc/34/16/37/1123341637.db2.gz ZFUNUWZLYUSKAJ-CIQXWFTPSA-N 2 1 368.496 4.378 20 0 FIADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000152638130 1123433589 /nfs/dbraw/zinc/43/35/89/1123433589.db2.gz ZHRDEQUKVZZHKU-PGRDOPGGSA-N 2 1 350.506 4.165 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000237075225 1123593331 /nfs/dbraw/zinc/59/33/31/1123593331.db2.gz UJSPUORPKSDQAI-FQEVSTJZSA-N 2 1 374.532 4.279 20 0 FIADMP COc1c(C)cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C ZINC000064615812 1123870347 /nfs/dbraw/zinc/87/03/47/1123870347.db2.gz LNWOUBJUNMOXON-GOSISDBHSA-N 2 1 358.551 4.375 20 0 FIADMP COc1c(C)cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C ZINC000064615812 1123870349 /nfs/dbraw/zinc/87/03/49/1123870349.db2.gz LNWOUBJUNMOXON-GOSISDBHSA-N 2 1 358.551 4.375 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416062 1124026056 /nfs/dbraw/zinc/02/60/56/1124026056.db2.gz DVIQIKIALVBBON-PGRDOPGGSA-N 2 1 365.521 4.101 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416062 1124026061 /nfs/dbraw/zinc/02/60/61/1124026061.db2.gz DVIQIKIALVBBON-PGRDOPGGSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416062 1124026066 /nfs/dbraw/zinc/02/60/66/1124026066.db2.gz DVIQIKIALVBBON-PGRDOPGGSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416062 1124026070 /nfs/dbraw/zinc/02/60/70/1124026070.db2.gz DVIQIKIALVBBON-PGRDOPGGSA-N 2 1 365.521 4.101 20 0 FIADMP c1ccc(COc2cccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000245618296 1124145792 /nfs/dbraw/zinc/14/57/92/1124145792.db2.gz VZJVCWSIMCLKNG-VXKWHMMOSA-N 2 1 350.506 4.025 20 0 FIADMP CCO[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C12CCC2 ZINC000179955879 1124162770 /nfs/dbraw/zinc/16/27/70/1124162770.db2.gz OYFMLYYHBBRZIH-FGZHOGPDSA-N 2 1 371.569 4.224 20 0 FIADMP Cc1cc(Br)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458102 1124183554 /nfs/dbraw/zinc/18/35/54/1124183554.db2.gz UJRZWZIBRIVUNZ-UHFFFAOYSA-N 2 1 353.348 4.358 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2[C@@H]4CCO[C@H]4C24CCCC4)C3)cc1 ZINC000245695095 1124204080 /nfs/dbraw/zinc/20/40/80/1124204080.db2.gz KYRYLTQLEWPNSF-BRXKOZLESA-N 2 1 366.549 4.119 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245750751 1124238842 /nfs/dbraw/zinc/23/88/42/1124238842.db2.gz TZHHCWDQVWYPKN-TWDDROGUSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245750751 1124238849 /nfs/dbraw/zinc/23/88/49/1124238849.db2.gz TZHHCWDQVWYPKN-TWDDROGUSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245750751 1124238857 /nfs/dbraw/zinc/23/88/57/1124238857.db2.gz TZHHCWDQVWYPKN-TWDDROGUSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750751 1124238870 /nfs/dbraw/zinc/23/88/70/1124238870.db2.gz TZHHCWDQVWYPKN-TWDDROGUSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750751 1124238875 /nfs/dbraw/zinc/23/88/75/1124238875.db2.gz TZHHCWDQVWYPKN-TWDDROGUSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180130814 1124239325 /nfs/dbraw/zinc/23/93/25/1124239325.db2.gz ZCCGVRSWTPZUOB-LMDPOFIKSA-N 2 1 367.578 4.067 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245756036 1124241303 /nfs/dbraw/zinc/24/13/03/1124241303.db2.gz UWDSUTWGZVLODV-BKFWDETESA-N 3 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245756036 1124241308 /nfs/dbraw/zinc/24/13/08/1124241308.db2.gz UWDSUTWGZVLODV-BKFWDETESA-N 2 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245756036 1124241314 /nfs/dbraw/zinc/24/13/14/1124241314.db2.gz UWDSUTWGZVLODV-BKFWDETESA-N 2 1 363.549 4.033 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cn1 ZINC000180177188 1124256263 /nfs/dbraw/zinc/25/62/63/1124256263.db2.gz QIYXRPAHYADVCO-GOSISDBHSA-N 2 1 371.488 4.013 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H](c3nccn3C)C3CC3)cc2)C1 ZINC000245843372 1124260905 /nfs/dbraw/zinc/26/09/05/1124260905.db2.gz DEJQXSYCYXFPDL-HMFYCAOWSA-N 2 1 366.553 4.139 20 0 FIADMP CCCO[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000108392868 1124306667 /nfs/dbraw/zinc/30/66/67/1124306667.db2.gz YJVXXAKTHGWQHL-WKEQBZBWSA-N 2 1 366.590 4.105 20 0 FIADMP CCCO[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000108392868 1124306674 /nfs/dbraw/zinc/30/66/74/1124306674.db2.gz YJVXXAKTHGWQHL-WKEQBZBWSA-N 2 1 366.590 4.105 20 0 FIADMP CCCO[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000108392868 1124306700 /nfs/dbraw/zinc/30/67/00/1124306700.db2.gz YJVXXAKTHGWQHL-WKEQBZBWSA-N 2 1 366.590 4.105 20 0 FIADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163033 1124377110 /nfs/dbraw/zinc/37/71/10/1124377110.db2.gz UQRTVQXYKGGQMI-TWOQFEAHSA-N 2 1 368.550 4.369 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163033 1124377114 /nfs/dbraw/zinc/37/71/14/1124377114.db2.gz UQRTVQXYKGGQMI-TWOQFEAHSA-N 2 1 368.550 4.369 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C)c(C)cc3C)cc2)CC1 ZINC000642627043 1124531325 /nfs/dbraw/zinc/53/13/25/1124531325.db2.gz KCQZLBNJJGUBCX-UHFFFAOYSA-N 2 1 365.565 4.039 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCCOc4ccccc43)C2)cc1 ZINC000246971844 1124577033 /nfs/dbraw/zinc/57/70/33/1124577033.db2.gz JNVYZAQGPKMMES-IRLDBZIGSA-N 2 1 350.506 4.055 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)[C@H](C)C1 ZINC000246976551 1124577826 /nfs/dbraw/zinc/57/78/26/1124577826.db2.gz JWANQCBYVJEQTM-MNEFBYGVSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)[C@H](C)C1 ZINC000246976551 1124577831 /nfs/dbraw/zinc/57/78/31/1124577831.db2.gz JWANQCBYVJEQTM-MNEFBYGVSA-N 2 1 366.546 4.089 20 0 FIADMP Brc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c2ncccc12 ZINC000475564525 1124581279 /nfs/dbraw/zinc/58/12/79/1124581279.db2.gz UHXFBOJDARGKGS-UHFFFAOYSA-N 2 1 374.326 4.104 20 0 FIADMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000247025255 1124583886 /nfs/dbraw/zinc/58/38/86/1124583886.db2.gz LWQPKEWUVJJIIN-RBUKOAKNSA-N 2 1 368.521 4.157 20 0 FIADMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000247025255 1124583892 /nfs/dbraw/zinc/58/38/92/1124583892.db2.gz LWQPKEWUVJJIIN-RBUKOAKNSA-N 2 1 368.521 4.157 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000247234225 1124601612 /nfs/dbraw/zinc/60/16/12/1124601612.db2.gz YMSLOHIVUGIMOA-YOEHRIQHSA-N 2 1 359.514 4.258 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000247253374 1124612079 /nfs/dbraw/zinc/61/20/79/1124612079.db2.gz ZVCMAMCQXWQRRT-RBUKOAKNSA-N 2 1 357.542 4.119 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(SC)c(F)c2)[C@H](C)C1 ZINC000247969033 1124734865 /nfs/dbraw/zinc/73/48/65/1124734865.db2.gz HBUJSOUOFGADAX-MDZRGWNJSA-N 2 1 368.562 4.335 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248402541 1124762791 /nfs/dbraw/zinc/76/27/91/1124762791.db2.gz NHPKBHIHABRBKT-WFXMLNOXSA-N 2 1 366.553 4.484 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168678346 1124769129 /nfs/dbraw/zinc/76/91/29/1124769129.db2.gz VOIGMRFGKOYVKD-UNMCSNQZSA-N 2 1 360.542 4.112 20 0 FIADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000248464667 1124773831 /nfs/dbraw/zinc/77/38/31/1124773831.db2.gz ZPFCZGIRFMFTEA-FUHIMQAGSA-N 2 1 368.525 4.011 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C ZINC000248460357 1124774311 /nfs/dbraw/zinc/77/43/11/1124774311.db2.gz WHTKISJGPBSYRS-XXBNENTESA-N 2 1 352.522 4.111 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000515880453 1124829425 /nfs/dbraw/zinc/82/94/25/1124829425.db2.gz QZFRCNDZCYUNPK-PLYUQDFWSA-N 2 1 350.506 4.159 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000515880453 1124829431 /nfs/dbraw/zinc/82/94/31/1124829431.db2.gz QZFRCNDZCYUNPK-PLYUQDFWSA-N 2 1 350.506 4.159 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000249415354 1124856953 /nfs/dbraw/zinc/85/69/53/1124856953.db2.gz GHFACCINHKTJSK-PGRDOPGGSA-N 2 1 374.569 4.041 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000249415354 1124856964 /nfs/dbraw/zinc/85/69/64/1124856964.db2.gz GHFACCINHKTJSK-PGRDOPGGSA-N 2 1 374.569 4.041 20 0 FIADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249579461 1124866828 /nfs/dbraw/zinc/86/68/28/1124866828.db2.gz NBECPCHCXZEEEX-XLIONFOSSA-N 2 1 370.562 4.216 20 0 FIADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1Cl ZINC000090937122 1125027871 /nfs/dbraw/zinc/02/78/71/1125027871.db2.gz STGRKDMNXQQAAQ-ZDUSSCGKSA-N 2 1 368.308 4.180 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000091307328 1125065000 /nfs/dbraw/zinc/06/50/00/1125065000.db2.gz RNVBPUQKIMFVLY-JPYJTQIMSA-N 2 1 350.506 4.148 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000091307328 1125065007 /nfs/dbraw/zinc/06/50/07/1125065007.db2.gz RNVBPUQKIMFVLY-JPYJTQIMSA-N 2 1 350.506 4.148 20 0 FIADMP FC(F)SCc1ccc(CNCc2cccc(Cn3ccnc3)c2)o1 ZINC000069678499 1125103632 /nfs/dbraw/zinc/10/36/32/1125103632.db2.gz YZUJZWAQQUOWCO-UHFFFAOYSA-N 2 1 363.433 4.270 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1 ZINC000618466322 1125186500 /nfs/dbraw/zinc/18/65/00/1125186500.db2.gz RCHSSKJISGDEBF-HXUWFJFHSA-N 2 1 374.532 4.279 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318254 1125298286 /nfs/dbraw/zinc/29/82/86/1125298286.db2.gz UHRVSDNWKJGEDG-JPYJTQIMSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318254 1125298293 /nfs/dbraw/zinc/29/82/93/1125298293.db2.gz UHRVSDNWKJGEDG-JPYJTQIMSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318254 1125298299 /nfs/dbraw/zinc/29/82/99/1125298299.db2.gz UHRVSDNWKJGEDG-JPYJTQIMSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318254 1125298302 /nfs/dbraw/zinc/29/83/02/1125298302.db2.gz UHRVSDNWKJGEDG-JPYJTQIMSA-N 2 1 365.521 4.130 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643737 1125438960 /nfs/dbraw/zinc/43/89/60/1125438960.db2.gz INSGGPVNAFWPMT-IRLDBZIGSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643737 1125438964 /nfs/dbraw/zinc/43/89/64/1125438964.db2.gz INSGGPVNAFWPMT-IRLDBZIGSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643737 1125438965 /nfs/dbraw/zinc/43/89/65/1125438965.db2.gz INSGGPVNAFWPMT-IRLDBZIGSA-N 2 1 357.501 4.189 20 0 FIADMP C(=C/C[N@H+]1CCC=C(c2ccco2)C1)\C[NH+]1CCC=C(c2ccco2)C1 ZINC000511145362 370687476 /nfs/dbraw/zinc/68/74/76/370687476.db2.gz VMTDARFAMUKKMC-OWOJBTEDSA-N 2 1 350.462 4.307 20 0 FIADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000602754868 568031256 /nfs/dbraw/zinc/03/12/56/568031256.db2.gz ZEGGFVIJKQIQOD-UHFFFAOYSA-N 2 1 367.493 4.066 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224892 /nfs/dbraw/zinc/22/48/92/568224892.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224893 /nfs/dbraw/zinc/22/48/93/568224893.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224894 /nfs/dbraw/zinc/22/48/94/568224894.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224895 /nfs/dbraw/zinc/22/48/95/568224895.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 3 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224896 /nfs/dbraw/zinc/22/48/96/568224896.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 3 1 355.570 4.038 20 0 FIADMP Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1Oc1ccncc1 ZINC000604219463 568230335 /nfs/dbraw/zinc/23/03/35/568230335.db2.gz ICVDYIMJNVATAC-ZWKOTPCHSA-N 2 1 367.493 4.175 20 0 FIADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130767 568262433 /nfs/dbraw/zinc/26/24/33/568262433.db2.gz VQMGPKKJDIQHGV-KXBFYZLASA-N 2 1 374.912 4.097 20 0 FIADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130767 568262434 /nfs/dbraw/zinc/26/24/34/568262434.db2.gz VQMGPKKJDIQHGV-KXBFYZLASA-N 2 1 374.912 4.097 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626547 719049747 /nfs/dbraw/zinc/04/97/47/719049747.db2.gz SFSRJCSAZXRSOW-NQIIRXRSSA-N 2 1 355.913 4.049 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626547 719049750 /nfs/dbraw/zinc/04/97/50/719049750.db2.gz SFSRJCSAZXRSOW-NQIIRXRSSA-N 2 1 355.913 4.049 20 0 FIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@@H]21 ZINC001165025181 721815210 /nfs/dbraw/zinc/81/52/10/721815210.db2.gz LTEWXJZKSUUABJ-ILWGZMRPSA-N 2 1 362.521 4.091 20 0 FIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@@H]21 ZINC001165025181 721815211 /nfs/dbraw/zinc/81/52/11/721815211.db2.gz LTEWXJZKSUUABJ-ILWGZMRPSA-N 2 1 362.521 4.091 20 0 FIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165049187 721978179 /nfs/dbraw/zinc/97/81/79/721978179.db2.gz ICDNWORHQYDHTF-YADHBBJMSA-N 2 1 370.585 4.473 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101454 1125747069 /nfs/dbraw/zinc/74/70/69/1125747069.db2.gz VUXUNZYCZJWJEN-KGLIPLIRSA-N 2 1 358.498 4.478 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101454 1125747075 /nfs/dbraw/zinc/74/70/75/1125747075.db2.gz VUXUNZYCZJWJEN-KGLIPLIRSA-N 2 1 358.498 4.478 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000763611121 1125769616 /nfs/dbraw/zinc/76/96/16/1125769616.db2.gz AMGRVOIPJMUYCX-FQEVSTJZSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000763611121 1125769621 /nfs/dbraw/zinc/76/96/21/1125769621.db2.gz AMGRVOIPJMUYCX-FQEVSTJZSA-N 2 1 356.485 4.321 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000154846303 1080443171 /nfs/dbraw/zinc/44/31/71/1080443171.db2.gz MHYPMSRSUFSOSI-KRWDZBQOSA-N 2 1 353.510 4.336 20 0 FIADMP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(C)noc1C ZINC000180180956 1080469822 /nfs/dbraw/zinc/46/98/22/1080469822.db2.gz KBAJRHXHKSEEHJ-XSDIEEQYSA-N 2 1 353.510 4.243 20 0 FIADMP CC(C)[C@@H](CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001648791881 1080495821 /nfs/dbraw/zinc/49/58/21/1080495821.db2.gz CQSHYYJQVCOPJW-AKIFATBCSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1sc2ccccc2c1Br ZINC001206811587 1080503840 /nfs/dbraw/zinc/50/38/40/1080503840.db2.gz WDZPAMGOGCHWIG-RYUDHWBXSA-N 2 1 353.329 4.223 20 0 FIADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Br ZINC001206811587 1080503846 /nfs/dbraw/zinc/50/38/46/1080503846.db2.gz WDZPAMGOGCHWIG-RYUDHWBXSA-N 2 1 353.329 4.223 20 0 FIADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1F ZINC000180524252 1080508578 /nfs/dbraw/zinc/50/85/78/1080508578.db2.gz XWWYJXDCDZIVOU-FQEVSTJZSA-N 2 1 359.489 4.383 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000180576951 1080520547 /nfs/dbraw/zinc/52/05/47/1080520547.db2.gz BQURFVWVZFIMEL-HYBUGGRVSA-N 2 1 364.533 4.175 20 0 FIADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC001167193237 1080820767 /nfs/dbraw/zinc/82/07/67/1080820767.db2.gz UMSSIDGOVQCXLS-UHFFFAOYSA-N 2 1 368.521 4.322 20 0 FIADMP CCC[N@H+](CCCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510236160 1080842612 /nfs/dbraw/zinc/84/26/12/1080842612.db2.gz KAMZSLIRNVPRFR-UHFFFAOYSA-N 2 1 366.553 4.407 20 0 FIADMP CCC[N@@H+](CCCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510236160 1080842617 /nfs/dbraw/zinc/84/26/17/1080842617.db2.gz KAMZSLIRNVPRFR-UHFFFAOYSA-N 2 1 366.553 4.407 20 0 FIADMP Cc1ccc2c(C)cc(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)[nH+]c2c1C ZINC001167208204 1080846360 /nfs/dbraw/zinc/84/63/60/1080846360.db2.gz UXAHDQYHPSRMRL-YKSBVNFPSA-N 2 1 357.501 4.137 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237570089 1080975629 /nfs/dbraw/zinc/97/56/29/1080975629.db2.gz JCGOLNRAIJXZIA-QFBILLFUSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237595463 1080976467 /nfs/dbraw/zinc/97/64/67/1080976467.db2.gz JCGOLNRAIJXZIA-VQIMIIECSA-N 2 1 360.448 4.431 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000137568311 1080983238 /nfs/dbraw/zinc/98/32/38/1080983238.db2.gz GYNYUCMUHSLYMX-NRFANRHFSA-N 2 1 371.569 4.281 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000579914098 1080988016 /nfs/dbraw/zinc/98/80/16/1080988016.db2.gz PPPAJWVYMWYOMK-QRVBRYPASA-N 2 1 372.582 4.010 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000579914098 1080988021 /nfs/dbraw/zinc/98/80/21/1080988021.db2.gz PPPAJWVYMWYOMK-QRVBRYPASA-N 2 1 372.582 4.010 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1cccc(Cl)c1 ZINC000655723435 1081141290 /nfs/dbraw/zinc/14/12/90/1081141290.db2.gz NTKLZCPRDCQBMO-HXUWFJFHSA-N 2 1 364.961 4.142 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655745313 1081164911 /nfs/dbraw/zinc/16/49/11/1081164911.db2.gz LOVPWDGVOWJESO-CVDCTZTESA-N 2 1 371.569 4.116 20 0 FIADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(C)c1F ZINC001143379621 1081268188 /nfs/dbraw/zinc/26/81/88/1081268188.db2.gz TZMLPKPXXWSTCW-UHFFFAOYSA-N 2 1 367.512 4.326 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001648832955 1081272254 /nfs/dbraw/zinc/27/22/54/1081272254.db2.gz URUNBFMMPYITBT-UHFFFAOYSA-N 2 1 356.695 4.096 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000547981477 1081326659 /nfs/dbraw/zinc/32/66/59/1081326659.db2.gz FRXADZJYYNJVKG-MRXNPFEDSA-N 2 1 360.461 4.003 20 0 FIADMP [NH3+]Cc1cnc2c(ccn2-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC001167316250 1081347355 /nfs/dbraw/zinc/34/73/55/1081347355.db2.gz LWVXBBAXJMIORD-UHFFFAOYSA-N 2 1 354.457 4.000 20 0 FIADMP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCCO1 ZINC000683692945 1081392415 /nfs/dbraw/zinc/39/24/15/1081392415.db2.gz YHWZRBVNUUCJJM-CIAFKFPVSA-N 2 1 356.554 4.367 20 0 FIADMP CCCN(CCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001167333766 1081456545 /nfs/dbraw/zinc/45/65/45/1081456545.db2.gz ZNIFFRJYZLRHKT-HSZRJFAPSA-N 2 1 357.586 4.239 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000580315327 1081835448 /nfs/dbraw/zinc/83/54/48/1081835448.db2.gz COQPSPCVPFXZLE-LPHOPBHVSA-N 2 1 367.518 4.184 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000683927261 1081929076 /nfs/dbraw/zinc/92/90/76/1081929076.db2.gz ICANOOUDXPCYFU-HDICACEKSA-N 2 1 363.505 4.067 20 0 FIADMP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccc(Cl)cc1 ZINC000580833977 1082181089 /nfs/dbraw/zinc/18/10/89/1082181089.db2.gz GYXMSFHTUNUPLY-UHFFFAOYSA-N 2 1 374.912 4.111 20 0 FIADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OCc1ccc(Cl)cc1 ZINC000580833977 1082181099 /nfs/dbraw/zinc/18/10/99/1082181099.db2.gz GYXMSFHTUNUPLY-UHFFFAOYSA-N 2 1 374.912 4.111 20 0 FIADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOCC2CCCC2)cc1 ZINC000656404943 1082330911 /nfs/dbraw/zinc/33/09/11/1082330911.db2.gz HIYFBLANNAOSJU-KIHHCIJBSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCCC2)cc1 ZINC000656404943 1082330916 /nfs/dbraw/zinc/33/09/16/1082330916.db2.gz HIYFBLANNAOSJU-KIHHCIJBSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCCC2)cc1 ZINC000656404943 1082330924 /nfs/dbraw/zinc/33/09/24/1082330924.db2.gz HIYFBLANNAOSJU-KIHHCIJBSA-N 2 1 368.565 4.036 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c(F)cn1 ZINC000558241371 1082389764 /nfs/dbraw/zinc/38/97/64/1082389764.db2.gz NGHVENHVHRILSP-NJSLBKSFSA-N 2 1 363.502 4.025 20 0 FIADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000581250456 1082406098 /nfs/dbraw/zinc/40/60/98/1082406098.db2.gz HDIFEWSQFAYDGE-QGZVFWFLSA-N 2 1 366.534 4.032 20 0 FIADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000581250456 1082406103 /nfs/dbraw/zinc/40/61/03/1082406103.db2.gz HDIFEWSQFAYDGE-QGZVFWFLSA-N 2 1 366.534 4.032 20 0 FIADMP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157569 1082419674 /nfs/dbraw/zinc/41/96/74/1082419674.db2.gz PBBBBICGJHWWHK-CRAIPNDOSA-N 2 1 362.439 4.147 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CCCCCC1 ZINC000510389112 1082470401 /nfs/dbraw/zinc/47/04/01/1082470401.db2.gz NUKMAMBTSNPFIZ-MOPGFXCFSA-N 2 1 357.542 4.122 20 0 FIADMP CCCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581384495 1082507122 /nfs/dbraw/zinc/50/71/22/1082507122.db2.gz YQJXNHNRMSTLIS-VXKWHMMOSA-N 2 1 358.570 4.474 20 0 FIADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Br)cc3Cl)C2)CC1 ZINC001137565434 1082523500 /nfs/dbraw/zinc/52/35/00/1082523500.db2.gz JOQXSYZPRUBYOM-UHFFFAOYSA-N 2 1 357.723 4.020 20 0 FIADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Br)cc3Cl)C2)CC1 ZINC001137565434 1082523504 /nfs/dbraw/zinc/52/35/04/1082523504.db2.gz JOQXSYZPRUBYOM-UHFFFAOYSA-N 2 1 357.723 4.020 20 0 FIADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000430602581 1082572551 /nfs/dbraw/zinc/57/25/51/1082572551.db2.gz WLSQMHQMFAXAAO-UWJYYQICSA-N 2 1 353.510 4.305 20 0 FIADMP CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000581515691 1082631555 /nfs/dbraw/zinc/63/15/55/1082631555.db2.gz CRUIMKDTQJQTRB-UHFFFAOYSA-N 2 1 368.550 4.232 20 0 FIADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656785103 1082769537 /nfs/dbraw/zinc/76/95/37/1082769537.db2.gz IKGDDYIPFQWUAX-SFHVURJKSA-N 2 1 371.550 4.030 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000581973059 1083120677 /nfs/dbraw/zinc/12/06/77/1083120677.db2.gz VVVHOVOPPBZOAK-NIFLVVHWSA-N 2 1 352.469 4.401 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000431095280 1083336345 /nfs/dbraw/zinc/33/63/45/1083336345.db2.gz USUWWBVIOHJOOC-OAHLLOKOSA-N 2 1 358.482 4.067 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000101726832 1083378209 /nfs/dbraw/zinc/37/82/09/1083378209.db2.gz KNOJECYIVDYQSJ-QGZVFWFLSA-N 2 1 356.514 4.242 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)C[C@H]2C1 ZINC000658318866 1083406045 /nfs/dbraw/zinc/40/60/45/1083406045.db2.gz TVRUZLWZWVEGDR-LILXYRQWSA-N 2 1 368.565 4.082 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658320215 1083406216 /nfs/dbraw/zinc/40/62/16/1083406216.db2.gz RUZDZRMPUAYGLH-KNQAVFIVSA-N 2 1 366.553 4.417 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958696 1083535495 /nfs/dbraw/zinc/53/54/95/1083535495.db2.gz MNUCLERCYAQJFT-DENIHFKCSA-N 2 1 368.569 4.285 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958696 1083535499 /nfs/dbraw/zinc/53/54/99/1083535499.db2.gz MNUCLERCYAQJFT-DENIHFKCSA-N 2 1 368.569 4.285 20 0 FIADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958699 1083536481 /nfs/dbraw/zinc/53/64/81/1083536481.db2.gz MNUCLERCYAQJFT-UGKGYDQZSA-N 2 1 368.569 4.285 20 0 FIADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958699 1083536492 /nfs/dbraw/zinc/53/64/92/1083536492.db2.gz MNUCLERCYAQJFT-UGKGYDQZSA-N 2 1 368.569 4.285 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000535806065 1083691418 /nfs/dbraw/zinc/69/14/18/1083691418.db2.gz CFXDUBRQECAMSL-PZJWPPBQSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806065 1083691422 /nfs/dbraw/zinc/69/14/22/1083691422.db2.gz CFXDUBRQECAMSL-PZJWPPBQSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806065 1083691427 /nfs/dbraw/zinc/69/14/27/1083691427.db2.gz CFXDUBRQECAMSL-PZJWPPBQSA-N 2 1 351.494 4.098 20 0 FIADMP FC(F)(F)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000278790853 1083718232 /nfs/dbraw/zinc/71/82/32/1083718232.db2.gz DXHXLSOGDGMWPO-UHFFFAOYSA-N 2 1 364.415 4.013 20 0 FIADMP C[C@@H]1C[C@@H](N(C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104697 1084299192 /nfs/dbraw/zinc/29/91/92/1084299192.db2.gz DPNJHZGKJYVWFZ-KGLIPLIRSA-N 2 1 353.532 4.010 20 0 FIADMP CCn1c2ccccc2nc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685850864 1084386645 /nfs/dbraw/zinc/38/66/45/1084386645.db2.gz KCEYPLPOQNKTLG-RTWAWAEBSA-N 2 1 374.532 4.010 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000157661105 1084442911 /nfs/dbraw/zinc/44/29/11/1084442911.db2.gz IGVQEQOECPLIIT-IRXDYDNUSA-N 2 1 352.526 4.319 20 0 FIADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000657314310 1084467281 /nfs/dbraw/zinc/46/72/81/1084467281.db2.gz UJTHFYMIQQWIES-KDURUIRLSA-N 2 1 354.542 4.232 20 0 FIADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000657314310 1084467288 /nfs/dbraw/zinc/46/72/88/1084467288.db2.gz UJTHFYMIQQWIES-KDURUIRLSA-N 2 1 354.542 4.232 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)C1 ZINC000657314474 1084496468 /nfs/dbraw/zinc/49/64/68/1084496468.db2.gz WALUUSHHZZITJS-KDURUIRLSA-N 2 1 366.553 4.061 20 0 FIADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H](CCO)c1ccccc1 ZINC001167544465 1084548933 /nfs/dbraw/zinc/54/89/33/1084548933.db2.gz NQWXCQPPRGIIRP-QHCPKHFHSA-N 2 1 352.522 4.228 20 0 FIADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000684773054 1084702312 /nfs/dbraw/zinc/70/23/12/1084702312.db2.gz XDSAEIATCUIXJP-UNMCSNQZSA-N 2 1 356.554 4.323 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000119948659 1084727654 /nfs/dbraw/zinc/72/76/54/1084727654.db2.gz MQWGAQVYVUTYSY-GOSISDBHSA-N 2 1 370.541 4.165 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000119948659 1084727662 /nfs/dbraw/zinc/72/76/62/1084727662.db2.gz MQWGAQVYVUTYSY-GOSISDBHSA-N 2 1 370.541 4.165 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000414183693 1084761141 /nfs/dbraw/zinc/76/11/41/1084761141.db2.gz OAXOWFHDWUTSNH-OSGQAZFXSA-N 2 1 368.924 4.062 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4c(cccc4C)[nH]3)CC2)oc1C ZINC000657373114 1084788133 /nfs/dbraw/zinc/78/81/33/1084788133.db2.gz UNSNHUJKSWCEQW-UHFFFAOYSA-N 2 1 366.509 4.083 20 0 FIADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000563350498 1084981023 /nfs/dbraw/zinc/98/10/23/1084981023.db2.gz OQWFWHVDINKSSV-LJQANCHMSA-N 2 1 369.900 4.233 20 0 FIADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000563350498 1084981033 /nfs/dbraw/zinc/98/10/33/1084981033.db2.gz OQWFWHVDINKSSV-LJQANCHMSA-N 2 1 369.900 4.233 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132731553 1085009640 /nfs/dbraw/zinc/00/96/40/1085009640.db2.gz RAWNZRFTVGDECX-RDPSFJRHSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132731553 1085009649 /nfs/dbraw/zinc/00/96/49/1085009649.db2.gz RAWNZRFTVGDECX-RDPSFJRHSA-N 2 1 363.549 4.156 20 0 FIADMP C[N@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)Cc1cccc(O)c1 ZINC001167587295 1085205733 /nfs/dbraw/zinc/20/57/33/1085205733.db2.gz XIASLVDWLXZPRZ-UHFFFAOYSA-N 2 1 352.522 4.169 20 0 FIADMP C[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)Cc1cccc(O)c1 ZINC001167587295 1085205745 /nfs/dbraw/zinc/20/57/45/1085205745.db2.gz XIASLVDWLXZPRZ-UHFFFAOYSA-N 2 1 352.522 4.169 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000582614667 1085251702 /nfs/dbraw/zinc/25/17/02/1085251702.db2.gz ZHHAUGOFKGERDZ-SIKLNZKXSA-N 2 1 366.553 4.009 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955952 1085311045 /nfs/dbraw/zinc/31/10/45/1085311045.db2.gz UAAIAXGHOHIOMK-IRLDBZIGSA-N 2 1 374.532 4.435 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955952 1085311053 /nfs/dbraw/zinc/31/10/53/1085311053.db2.gz UAAIAXGHOHIOMK-IRLDBZIGSA-N 2 1 374.532 4.435 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCc2ccc(Br)cc2)CC1 ZINC001207322430 1085457402 /nfs/dbraw/zinc/45/74/02/1085457402.db2.gz PKVNLSFEJLFZLL-UHFFFAOYSA-N 2 1 367.375 4.434 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540126 1085634558 /nfs/dbraw/zinc/63/45/58/1085634558.db2.gz KQAZCVNWJWKDNN-UHFFFAOYSA-N 2 1 352.507 4.154 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540126 1085634561 /nfs/dbraw/zinc/63/45/61/1085634561.db2.gz KQAZCVNWJWKDNN-UHFFFAOYSA-N 2 1 352.507 4.154 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814017 1085762407 /nfs/dbraw/zinc/76/24/07/1085762407.db2.gz WYTAOERGJJKUNT-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814017 1085762412 /nfs/dbraw/zinc/76/24/12/1085762412.db2.gz WYTAOERGJJKUNT-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814017 1085762418 /nfs/dbraw/zinc/76/24/18/1085762418.db2.gz WYTAOERGJJKUNT-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814017 1085762422 /nfs/dbraw/zinc/76/24/22/1085762422.db2.gz WYTAOERGJJKUNT-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814017 1085762429 /nfs/dbraw/zinc/76/24/29/1085762429.db2.gz WYTAOERGJJKUNT-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOc3ccccc3F)C2)s1 ZINC000582871869 1085859597 /nfs/dbraw/zinc/85/95/97/1085859597.db2.gz MOLLNCFDVWKVJN-KRWDZBQOSA-N 2 1 362.514 4.028 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOc3ccccc3F)C2)s1 ZINC000582871869 1085859606 /nfs/dbraw/zinc/85/96/06/1085859606.db2.gz MOLLNCFDVWKVJN-KRWDZBQOSA-N 2 1 362.514 4.028 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOc3ccccc3F)C2)s1 ZINC000582871869 1085859615 /nfs/dbraw/zinc/85/96/15/1085859615.db2.gz MOLLNCFDVWKVJN-KRWDZBQOSA-N 2 1 362.514 4.028 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOc3ccccc3F)C2)s1 ZINC000582871869 1085859621 /nfs/dbraw/zinc/85/96/21/1085859621.db2.gz MOLLNCFDVWKVJN-KRWDZBQOSA-N 2 1 362.514 4.028 20 0 FIADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347988 1085919637 /nfs/dbraw/zinc/91/96/37/1085919637.db2.gz QTEIBWOQEBOWEA-MJXUCMMTSA-N 2 1 357.325 4.273 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000162150027 1085995484 /nfs/dbraw/zinc/99/54/84/1085995484.db2.gz QICLGOLIHFXVIH-WXTAPIANSA-N 2 1 370.562 4.048 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2ccc(C(F)(F)F)cc2)s1 ZINC000511944945 1086032124 /nfs/dbraw/zinc/03/21/24/1086032124.db2.gz TWRKYSDSOQERKK-UHFFFAOYSA-N 2 1 371.472 4.291 20 0 FIADMP Fc1ccccc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648674 1086033210 /nfs/dbraw/zinc/03/32/10/1086033210.db2.gz WKMYBUQSKPHJDD-GMAHTHKFSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648674 1086033227 /nfs/dbraw/zinc/03/32/27/1086033227.db2.gz WKMYBUQSKPHJDD-GMAHTHKFSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167648674 1086033238 /nfs/dbraw/zinc/03/32/38/1086033238.db2.gz WKMYBUQSKPHJDD-GMAHTHKFSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167648674 1086033248 /nfs/dbraw/zinc/03/32/48/1086033248.db2.gz WKMYBUQSKPHJDD-GMAHTHKFSA-N 2 1 352.497 4.355 20 0 FIADMP FC(F)(F)C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000583063573 1086128661 /nfs/dbraw/zinc/12/86/61/1086128661.db2.gz AXECKMVWUJXTNF-KBPBESRZSA-N 2 1 360.386 4.315 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000247167373 1086150391 /nfs/dbraw/zinc/15/03/91/1086150391.db2.gz UMKVFLYSISMJED-IPJJNNNSSA-N 2 1 362.558 4.261 20 0 FIADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000248451393 1086168744 /nfs/dbraw/zinc/16/87/44/1086168744.db2.gz PILGECBPRQWEKI-SIKLNZKXSA-N 2 1 352.522 4.029 20 0 FIADMP Fc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000248832262 1086175933 /nfs/dbraw/zinc/17/59/33/1086175933.db2.gz HUBYCMCGTLFTAF-ACDBMABISA-N 2 1 356.460 4.293 20 0 FIADMP Fc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000248832274 1086176797 /nfs/dbraw/zinc/17/67/97/1086176797.db2.gz HUBYCMCGTLFTAF-OWZKRDHZSA-N 2 1 356.460 4.293 20 0 FIADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000662328718 1086420422 /nfs/dbraw/zinc/42/04/22/1086420422.db2.gz TZTLBFZMBVUMCV-HSZRJFAPSA-N 2 1 364.537 4.134 20 0 FIADMP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663346572 1086447605 /nfs/dbraw/zinc/44/76/05/1086447605.db2.gz VNMBIEFBQJBEAL-HNNXBMFYSA-N 2 1 358.860 4.153 20 0 FIADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccc(OC)cc1 ZINC000162747362 1086458558 /nfs/dbraw/zinc/45/85/58/1086458558.db2.gz QXVLWZSGJAVUMI-NRFANRHFSA-N 2 1 371.525 4.253 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290506 1086530995 /nfs/dbraw/zinc/53/09/95/1086530995.db2.gz ZOYHWNOSWSGQQH-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290506 1086531000 /nfs/dbraw/zinc/53/10/00/1086531000.db2.gz ZOYHWNOSWSGQQH-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000657751324 1086560884 /nfs/dbraw/zinc/56/08/84/1086560884.db2.gz QBQHXJGERFKSMZ-AVRDEDQJSA-N 2 1 358.570 4.006 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1cc2n(n1)CCCC2 ZINC000647288084 1086609740 /nfs/dbraw/zinc/60/97/40/1086609740.db2.gz JJKYOGVNPRTDIS-IBGZPJMESA-N 2 1 366.553 4.302 20 0 FIADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)n21 ZINC000583469845 1086715397 /nfs/dbraw/zinc/71/53/97/1086715397.db2.gz GYTQJHZFFREMQL-NRFANRHFSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)n21 ZINC000583469845 1086715399 /nfs/dbraw/zinc/71/53/99/1086715399.db2.gz GYTQJHZFFREMQL-NRFANRHFSA-N 2 1 362.521 4.035 20 0 FIADMP CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167839571 1086716458 /nfs/dbraw/zinc/71/64/58/1086716458.db2.gz ALTOXBWLAANDAZ-MOPGFXCFSA-N 2 1 369.594 4.218 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC001167842376 1086745510 /nfs/dbraw/zinc/74/55/10/1086745510.db2.gz WPVYFNVGUUHCDZ-JTHBVZDNSA-N 2 1 357.586 4.237 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)C1 ZINC000650705605 1086750679 /nfs/dbraw/zinc/75/06/79/1086750679.db2.gz NNGKHBCKIKRPDI-MZKRTTBSSA-N 2 1 366.505 4.197 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000650706065 1086753867 /nfs/dbraw/zinc/75/38/67/1086753867.db2.gz CRWIZOJVOJNHGT-MBOZVWFJSA-N 2 1 374.525 4.273 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001167842541 1086753952 /nfs/dbraw/zinc/75/39/52/1086753952.db2.gz YJMKLDZTSYWLCP-KSEOMHKRSA-N 2 1 374.569 4.308 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C(=O)OC)C[C@H]1c1ccccc1 ZINC001167842557 1086754272 /nfs/dbraw/zinc/75/42/72/1086754272.db2.gz YKLNLLKBCZTUGG-JBACZVJFSA-N 2 1 360.542 4.123 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)C1 ZINC000650706803 1086759490 /nfs/dbraw/zinc/75/94/90/1086759490.db2.gz SOWKFFSQKQLNQZ-JXXFODFXSA-N 2 1 374.525 4.273 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)C1 ZINC000650708988 1086763109 /nfs/dbraw/zinc/76/31/09/1086763109.db2.gz XVCTYWYQXNSJGK-RIYCBMTJSA-N 2 1 356.554 4.179 20 0 FIADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)sc1Br ZINC000512098566 1086765773 /nfs/dbraw/zinc/76/57/73/1086765773.db2.gz ICUGBWSOECPCEN-LBPRGKRZSA-N 2 1 357.361 4.487 20 0 FIADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000512100503 1086768969 /nfs/dbraw/zinc/76/89/69/1086768969.db2.gz PDXBULQUNHPWAG-DAXSKMNVSA-N 2 1 356.460 4.275 20 0 FIADMP CCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000512113482 1086782413 /nfs/dbraw/zinc/78/24/13/1086782413.db2.gz DGIYRKPLRGRHQK-KDURUIRLSA-N 2 1 351.538 4.412 20 0 FIADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657771754 1086802785 /nfs/dbraw/zinc/80/27/85/1086802785.db2.gz FVSOCUQUTJQFDX-GOSISDBHSA-N 2 1 355.551 4.097 20 0 FIADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657772510 1086803938 /nfs/dbraw/zinc/80/39/38/1086803938.db2.gz VOKCTXXMSZDNGN-OAQYLSRUSA-N 2 1 366.553 4.030 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000512137788 1086812409 /nfs/dbraw/zinc/81/24/09/1086812409.db2.gz VYJXERUOEPEIPF-GOSISDBHSA-N 2 1 368.521 4.368 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000512137788 1086812413 /nfs/dbraw/zinc/81/24/13/1086812413.db2.gz VYJXERUOEPEIPF-GOSISDBHSA-N 2 1 368.521 4.368 20 0 FIADMP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000512135413 1086813292 /nfs/dbraw/zinc/81/32/92/1086813292.db2.gz JYGATWGJJDFPOJ-DHBDYNCWSA-N 2 1 356.460 4.132 20 0 FIADMP CCCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722041 1086827430 /nfs/dbraw/zinc/82/74/30/1086827430.db2.gz JDHGMXMCAOUJBN-NNWRFLSQSA-N 2 1 360.542 4.116 20 0 FIADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871542 1087006632 /nfs/dbraw/zinc/00/66/32/1087006632.db2.gz NUSQXXKZFIBZAL-XZOQPEGZSA-N 2 1 364.533 4.335 20 0 FIADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871542 1087006634 /nfs/dbraw/zinc/00/66/34/1087006634.db2.gz NUSQXXKZFIBZAL-XZOQPEGZSA-N 2 1 364.533 4.335 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898773 1087021675 /nfs/dbraw/zinc/02/16/75/1087021675.db2.gz LJRWUEMETQJCCI-INIZCTEOSA-N 2 1 350.478 4.289 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898773 1087021680 /nfs/dbraw/zinc/02/16/80/1087021680.db2.gz LJRWUEMETQJCCI-INIZCTEOSA-N 2 1 350.478 4.289 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898773 1087021684 /nfs/dbraw/zinc/02/16/84/1087021684.db2.gz LJRWUEMETQJCCI-INIZCTEOSA-N 2 1 350.478 4.289 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898773 1087021688 /nfs/dbraw/zinc/02/16/88/1087021688.db2.gz LJRWUEMETQJCCI-INIZCTEOSA-N 2 1 350.478 4.289 20 0 FIADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2F)s1 ZINC000151362641 1087092343 /nfs/dbraw/zinc/09/23/43/1087092343.db2.gz WFMFQNADDULKDR-HNNXBMFYSA-N 2 1 362.514 4.052 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)c(Cl)c1 ZINC000657830207 1087189338 /nfs/dbraw/zinc/18/93/38/1087189338.db2.gz NJLASHBTKHDVSQ-NSHDSACASA-N 2 1 357.723 4.380 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3ncc(C)cc3C)C2)s1 ZINC000584354743 1087276630 /nfs/dbraw/zinc/27/66/30/1087276630.db2.gz WAWVMAGVDXTHJK-IBGZPJMESA-N 2 1 357.567 4.065 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3ncc(C)cc3C)C2)s1 ZINC000584354743 1087276634 /nfs/dbraw/zinc/27/66/34/1087276634.db2.gz WAWVMAGVDXTHJK-IBGZPJMESA-N 2 1 357.567 4.065 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3ncc(C)cc3C)C2)s1 ZINC000584354743 1087276639 /nfs/dbraw/zinc/27/66/39/1087276639.db2.gz WAWVMAGVDXTHJK-IBGZPJMESA-N 2 1 357.567 4.065 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)c(Cl)c1 ZINC000657839870 1087277241 /nfs/dbraw/zinc/27/72/41/1087277241.db2.gz IITACHDVHPVTLK-FPMFFAJLSA-N 2 1 357.723 4.380 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)c(Cl)c1 ZINC000657839872 1087277405 /nfs/dbraw/zinc/27/74/05/1087277405.db2.gz IITACHDVHPVTLK-UBHSHLNASA-N 2 1 357.723 4.380 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2cnccc2o1 ZINC000657862003 1087423617 /nfs/dbraw/zinc/42/36/17/1087423617.db2.gz XULHUHNCYDKQMG-HOTGVXAUSA-N 2 1 355.507 4.452 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2cnccc2o1 ZINC000657862003 1087423618 /nfs/dbraw/zinc/42/36/18/1087423618.db2.gz XULHUHNCYDKQMG-HOTGVXAUSA-N 2 1 355.507 4.452 20 0 FIADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(C(C)(C)C)o1 ZINC000092820890 1087448408 /nfs/dbraw/zinc/44/84/08/1087448408.db2.gz AXSLTQKJZNNSOZ-UHFFFAOYSA-N 2 1 356.514 4.106 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncc(C(C)(C)C)o1 ZINC000092820890 1087448411 /nfs/dbraw/zinc/44/84/11/1087448411.db2.gz AXSLTQKJZNNSOZ-UHFFFAOYSA-N 2 1 356.514 4.106 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000093079884 1087452135 /nfs/dbraw/zinc/45/21/35/1087452135.db2.gz CTPITWUSQKEGMP-WMZHIEFXSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000093079884 1087452137 /nfs/dbraw/zinc/45/21/37/1087452137.db2.gz CTPITWUSQKEGMP-WMZHIEFXSA-N 2 1 374.532 4.230 20 0 FIADMP C[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443826 1087569433 /nfs/dbraw/zinc/56/94/33/1087569433.db2.gz WQMHWLQORRYQBX-CBQGHPETSA-N 2 1 368.496 4.462 20 0 FIADMP C[NH+](Cc1ccc(OCc2cccc(F)c2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443826 1087569437 /nfs/dbraw/zinc/56/94/37/1087569437.db2.gz WQMHWLQORRYQBX-CBQGHPETSA-N 2 1 368.496 4.462 20 0 FIADMP C[NH+](Cc1ccc(OCc2cccc(F)c2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443826 1087569440 /nfs/dbraw/zinc/56/94/40/1087569440.db2.gz WQMHWLQORRYQBX-CBQGHPETSA-N 2 1 368.496 4.462 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000685462509 1087575661 /nfs/dbraw/zinc/57/56/61/1087575661.db2.gz XSAOEQZFCWFYHK-UHFFFAOYSA-N 2 1 360.914 4.491 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000685462509 1087575667 /nfs/dbraw/zinc/57/56/67/1087575667.db2.gz XSAOEQZFCWFYHK-UHFFFAOYSA-N 2 1 360.914 4.491 20 0 FIADMP COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3sccc3C)CC2)c1C ZINC000685468759 1087577717 /nfs/dbraw/zinc/57/77/17/1087577717.db2.gz TUIMTXQDTYNDSN-UHFFFAOYSA-N 2 1 373.566 4.173 20 0 FIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3sccc3C)CC2)c1C ZINC000685468759 1087577723 /nfs/dbraw/zinc/57/77/23/1087577723.db2.gz TUIMTXQDTYNDSN-UHFFFAOYSA-N 2 1 373.566 4.173 20 0 FIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3sccc3C)CC2)c1C ZINC000685468759 1087577730 /nfs/dbraw/zinc/57/77/30/1087577730.db2.gz TUIMTXQDTYNDSN-UHFFFAOYSA-N 2 1 373.566 4.173 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccs1 ZINC000658137529 1087742614 /nfs/dbraw/zinc/74/26/14/1087742614.db2.gz HIIJQMLYZJFJKB-VQTJNVASSA-N 2 1 358.551 4.192 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424260729 1087880863 /nfs/dbraw/zinc/88/08/63/1087880863.db2.gz DLEQASDLDJUYKF-KJWUJUMESA-N 2 1 356.554 4.354 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@H+]3CCC[C@H](C)C3)C[C@H]2C1 ZINC000424269633 1087892582 /nfs/dbraw/zinc/89/25/82/1087892582.db2.gz PLAIFVIPFKORQO-GBCNUAAFSA-N 2 1 356.554 4.212 20 0 FIADMP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818637 1088413742 /nfs/dbraw/zinc/41/37/42/1088413742.db2.gz HLPUMKGWJBYOCL-HNNXBMFYSA-N 2 1 371.352 4.489 20 0 FIADMP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819460 1088416064 /nfs/dbraw/zinc/41/60/64/1088416064.db2.gz XISUXZLMVDTKMO-OAHLLOKOSA-N 2 1 371.352 4.489 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285869 1088416747 /nfs/dbraw/zinc/41/67/47/1088416747.db2.gz SMEXWIPTMJZDDG-VGSWGCGISA-N 2 1 363.505 4.234 20 0 FIADMP CCOCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000782955099 1088740614 /nfs/dbraw/zinc/74/06/14/1088740614.db2.gz BWIPSCVBKZHYAS-LJQANCHMSA-N 2 1 374.550 4.123 20 0 FIADMP CCOCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000782955099 1088740633 /nfs/dbraw/zinc/74/06/33/1088740633.db2.gz BWIPSCVBKZHYAS-LJQANCHMSA-N 2 1 374.550 4.123 20 0 FIADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000514249489 1088929639 /nfs/dbraw/zinc/92/96/39/1088929639.db2.gz GUQOJAXHWFJOFI-PFSBYRDKSA-N 2 1 370.924 4.100 20 0 FIADMP Fc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ncccc12 ZINC000434668016 1088932871 /nfs/dbraw/zinc/93/28/71/1088932871.db2.gz XRBHEVLVHLKTGJ-UHFFFAOYSA-N 2 1 364.468 4.286 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H]3c3ccccc3)CCCC2)CC1 ZINC000468555017 1089001778 /nfs/dbraw/zinc/00/17/78/1089001778.db2.gz PFVHFWZVCMJTBG-VXKWHMMOSA-N 2 1 356.554 4.336 20 0 FIADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000189018383 1089034034 /nfs/dbraw/zinc/03/40/34/1089034034.db2.gz XGCXKOFLKQHLAS-FOJYNEPKSA-N 2 1 369.597 4.062 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000415083170 1089139913 /nfs/dbraw/zinc/13/99/13/1089139913.db2.gz NBAINPYICOSFHV-QFBILLFUSA-N 2 1 364.411 4.297 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415090455 1089142718 /nfs/dbraw/zinc/14/27/18/1089142718.db2.gz OUZSMHLPZFZJHE-FGZHOGPDSA-N 2 1 360.505 4.072 20 0 FIADMP C[NH+](C)[C@H]1CCOc2c(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000435023454 1089210142 /nfs/dbraw/zinc/21/01/42/1089210142.db2.gz KKONVTUCWYMUMP-UGKGYDQZSA-N 2 1 365.521 4.148 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000549227988 1089286999 /nfs/dbraw/zinc/28/69/99/1089286999.db2.gz GKUVDHMESUIXHD-RPVQJOFSSA-N 2 1 351.332 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC[N@H+]1C ZINC000549227988 1089287007 /nfs/dbraw/zinc/28/70/07/1089287007.db2.gz GKUVDHMESUIXHD-RPVQJOFSSA-N 2 1 351.332 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000549227989 1089287798 /nfs/dbraw/zinc/28/77/98/1089287798.db2.gz GKUVDHMESUIXHD-SKDZVZGDSA-N 2 1 351.332 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)CC[N@H+]1C ZINC000549227989 1089287809 /nfs/dbraw/zinc/28/78/09/1089287809.db2.gz GKUVDHMESUIXHD-SKDZVZGDSA-N 2 1 351.332 4.289 20 0 FIADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000549236937 1089309346 /nfs/dbraw/zinc/30/93/46/1089309346.db2.gz IQBLJMBOHYODJC-UDMCKFQASA-N 2 1 356.554 4.080 20 0 FIADMP C[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)CC(C)(C)C[NH3+] ZINC000435374915 1089568249 /nfs/dbraw/zinc/56/82/49/1089568249.db2.gz SIPDHOBGPLONDI-UHFFFAOYSA-N 2 1 359.901 4.009 20 0 FIADMP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435392046 1089600254 /nfs/dbraw/zinc/60/02/54/1089600254.db2.gz ZFIWYKCGBFLHHL-HNNXBMFYSA-N 2 1 360.933 4.129 20 0 FIADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435392046 1089600263 /nfs/dbraw/zinc/60/02/63/1089600263.db2.gz ZFIWYKCGBFLHHL-HNNXBMFYSA-N 2 1 360.933 4.129 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000893094546 1089859702 /nfs/dbraw/zinc/85/97/02/1089859702.db2.gz LOZBTCRZANKGIH-KBPBESRZSA-N 2 1 353.532 4.058 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000382072934 1090431233 /nfs/dbraw/zinc/43/12/33/1090431233.db2.gz ZXLXFFQFJJLFDY-KNQAVFIVSA-N 2 1 352.522 4.474 20 0 FIADMP CCC[N@H+](C[C@@H](CC)CC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074577 1090485531 /nfs/dbraw/zinc/48/55/31/1090485531.db2.gz QWJLVCLNDPUSCF-KRWDZBQOSA-N 2 1 368.516 4.456 20 0 FIADMP CCC[N@@H+](C[C@@H](CC)CC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074577 1090485535 /nfs/dbraw/zinc/48/55/35/1090485535.db2.gz QWJLVCLNDPUSCF-KRWDZBQOSA-N 2 1 368.516 4.456 20 0 FIADMP CCc1ccc2c(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc(=O)oc2c1 ZINC000185697756 1090566405 /nfs/dbraw/zinc/56/64/05/1090566405.db2.gz HVMJOJBTLUMUSD-SJLPKXTDSA-N 2 1 368.521 4.098 20 0 FIADMP CCc1ccc2c(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc(=O)oc2c1 ZINC000185697756 1090566418 /nfs/dbraw/zinc/56/64/18/1090566418.db2.gz HVMJOJBTLUMUSD-SJLPKXTDSA-N 2 1 368.521 4.098 20 0 FIADMP Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549464248 1090663097 /nfs/dbraw/zinc/66/30/97/1090663097.db2.gz QSPJSMDHUADXHZ-OAQYLSRUSA-N 2 1 351.538 4.467 20 0 FIADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549464248 1090663104 /nfs/dbraw/zinc/66/31/04/1090663104.db2.gz QSPJSMDHUADXHZ-OAQYLSRUSA-N 2 1 351.538 4.467 20 0 FIADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549464248 1090663109 /nfs/dbraw/zinc/66/31/09/1090663109.db2.gz QSPJSMDHUADXHZ-OAQYLSRUSA-N 2 1 351.538 4.467 20 0 FIADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549464248 1090663116 /nfs/dbraw/zinc/66/31/16/1090663116.db2.gz QSPJSMDHUADXHZ-OAQYLSRUSA-N 2 1 351.538 4.467 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310967 1090805664 /nfs/dbraw/zinc/80/56/64/1090805664.db2.gz LELUWSLBEXWJAN-AYWYSENESA-N 2 1 354.563 4.394 20 0 FIADMP Cc1nc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC000628297867 1090832516 /nfs/dbraw/zinc/83/25/16/1090832516.db2.gz OIMBNXQUSOMKFP-JOCHJYFZSA-N 2 1 366.553 4.149 20 0 FIADMP Cc1nc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC000628297867 1090832524 /nfs/dbraw/zinc/83/25/24/1090832524.db2.gz OIMBNXQUSOMKFP-JOCHJYFZSA-N 2 1 366.553 4.149 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000236863204 1090974732 /nfs/dbraw/zinc/97/47/32/1090974732.db2.gz ZNNKSJYPMXSBQL-KBXCAEBGSA-N 2 1 359.341 4.220 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000236863204 1090974733 /nfs/dbraw/zinc/97/47/33/1090974733.db2.gz ZNNKSJYPMXSBQL-KBXCAEBGSA-N 2 1 359.341 4.220 20 0 FIADMP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000500086769 1091029509 /nfs/dbraw/zinc/02/95/09/1091029509.db2.gz DQTKVMDTCRIDQP-PZJWPPBQSA-N 2 1 361.574 4.031 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098523 1091036485 /nfs/dbraw/zinc/03/64/85/1091036485.db2.gz MPKREJSHPISINB-RBUKOAKNSA-N 2 1 365.993 4.180 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098521 1091036926 /nfs/dbraw/zinc/03/69/26/1091036926.db2.gz MPKREJSHPISINB-OALUTQOASA-N 2 1 365.993 4.180 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000500115923 1091047066 /nfs/dbraw/zinc/04/70/66/1091047066.db2.gz VXWHWAUHSWCSIP-HSZRJFAPSA-N 2 1 368.521 4.062 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001648927174 1091151593 /nfs/dbraw/zinc/15/15/93/1091151593.db2.gz LJXYERASWRXUEL-JREAUHRESA-N 2 1 350.591 4.460 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519701 1091162671 /nfs/dbraw/zinc/16/26/71/1091162671.db2.gz FSMVHZYGHNLXAZ-QPPBQGQZSA-N 2 1 365.565 4.151 20 0 FIADMP C[N@@H+](CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000311245986 1091239841 /nfs/dbraw/zinc/23/98/41/1091239841.db2.gz XAULFHZGKFDECR-UHFFFAOYSA-N 2 1 367.578 4.067 20 0 FIADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551007 1091244814 /nfs/dbraw/zinc/24/48/14/1091244814.db2.gz KCGCMNGZXRCDHD-UAYLSCSNSA-N 2 1 355.570 4.082 20 0 FIADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390551007 1091244823 /nfs/dbraw/zinc/24/48/23/1091244823.db2.gz KCGCMNGZXRCDHD-UAYLSCSNSA-N 3 1 355.570 4.082 20 0 FIADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551007 1091244832 /nfs/dbraw/zinc/24/48/32/1091244832.db2.gz KCGCMNGZXRCDHD-UAYLSCSNSA-N 3 1 355.570 4.082 20 0 FIADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCc2cccs2)CC1 ZINC000511711767 1091558287 /nfs/dbraw/zinc/55/82/87/1091558287.db2.gz JBXBCWRDGICYKP-UHFFFAOYSA-N 2 1 357.910 4.314 20 0 FIADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511751896 1091616312 /nfs/dbraw/zinc/61/63/12/1091616312.db2.gz BCQYLWAOANJNQM-WXFUMESZSA-N 2 1 373.500 4.185 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(C)=O)ccc2OCC)CC1 ZINC000512269088 1091988678 /nfs/dbraw/zinc/98/86/78/1091988678.db2.gz JNPAHHPYOBFEEU-UHFFFAOYSA-N 2 1 360.542 4.232 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(C)=O)ccc2OCC)CC1 ZINC000512269088 1091988683 /nfs/dbraw/zinc/98/86/83/1091988683.db2.gz JNPAHHPYOBFEEU-UHFFFAOYSA-N 2 1 360.542 4.232 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC000500525606 1092189827 /nfs/dbraw/zinc/18/98/27/1092189827.db2.gz IEOONEISAKHUTL-XZOQPEGZSA-N 2 1 350.506 4.290 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC000500525606 1092189831 /nfs/dbraw/zinc/18/98/31/1092189831.db2.gz IEOONEISAKHUTL-XZOQPEGZSA-N 2 1 350.506 4.290 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)cc1 ZINC000500525604 1092190334 /nfs/dbraw/zinc/19/03/34/1092190334.db2.gz IEOONEISAKHUTL-PKTZIBPZSA-N 2 1 350.506 4.290 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)cc1 ZINC000500525604 1092190338 /nfs/dbraw/zinc/19/03/38/1092190338.db2.gz IEOONEISAKHUTL-PKTZIBPZSA-N 2 1 350.506 4.290 20 0 FIADMP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000428166788 1092219260 /nfs/dbraw/zinc/21/92/60/1092219260.db2.gz STHQMSRRQKCQLQ-RDTXWAMCSA-N 2 1 361.436 4.065 20 0 FIADMP CCc1nc(C)c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000428218577 1092268296 /nfs/dbraw/zinc/26/82/96/1092268296.db2.gz MPVGHVZXEDMQPJ-QFIPXVFZSA-N 2 1 353.510 4.034 20 0 FIADMP CCC[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428233111 1092273692 /nfs/dbraw/zinc/27/36/92/1092273692.db2.gz XUCPJZLBVDKYIN-OEMFJLHTSA-N 2 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428233111 1092273697 /nfs/dbraw/zinc/27/36/97/1092273697.db2.gz XUCPJZLBVDKYIN-OEMFJLHTSA-N 3 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428233111 1092273704 /nfs/dbraw/zinc/27/37/04/1092273704.db2.gz XUCPJZLBVDKYIN-OEMFJLHTSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]1CC(N2C(C)(C)CC([NH3+])CC2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012461 1092339301 /nfs/dbraw/zinc/33/93/01/1092339301.db2.gz ANVXJIAWGSJMRN-QZTJIDSGSA-N 2 1 357.586 4.408 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000432795112 1092393544 /nfs/dbraw/zinc/39/35/44/1092393544.db2.gz VQLWRBVQOWAWGM-NRFANRHFSA-N 2 1 366.553 4.141 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000432795112 1092393557 /nfs/dbraw/zinc/39/35/57/1092393557.db2.gz VQLWRBVQOWAWGM-NRFANRHFSA-N 2 1 366.553 4.141 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000236608581 1092402555 /nfs/dbraw/zinc/40/25/55/1092402555.db2.gz LFKULFXLIDVRJL-SFHVURJKSA-N 2 1 374.960 4.353 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000236608581 1092402558 /nfs/dbraw/zinc/40/25/58/1092402558.db2.gz LFKULFXLIDVRJL-SFHVURJKSA-N 2 1 374.960 4.353 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000236608581 1092402561 /nfs/dbraw/zinc/40/25/61/1092402561.db2.gz LFKULFXLIDVRJL-SFHVURJKSA-N 2 1 374.960 4.353 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000665271997 1092408167 /nfs/dbraw/zinc/40/81/67/1092408167.db2.gz WHUDIIQLKRQAQH-CJRSTVEYSA-N 2 1 361.533 4.289 20 0 FIADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306336 1092632539 /nfs/dbraw/zinc/63/25/39/1092632539.db2.gz JUQXSHKGYUQPAQ-QGZVFWFLSA-N 2 1 374.550 4.076 20 0 FIADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306336 1092632547 /nfs/dbraw/zinc/63/25/47/1092632547.db2.gz JUQXSHKGYUQPAQ-QGZVFWFLSA-N 2 1 374.550 4.076 20 0 FIADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514025 1092734741 /nfs/dbraw/zinc/73/47/41/1092734741.db2.gz FVPDYZSUHKLJOK-YJBOKZPZSA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514025 1092734742 /nfs/dbraw/zinc/73/47/42/1092734742.db2.gz FVPDYZSUHKLJOK-YJBOKZPZSA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514025 1092734747 /nfs/dbraw/zinc/73/47/47/1092734747.db2.gz FVPDYZSUHKLJOK-YJBOKZPZSA-N 2 1 361.942 4.380 20 0 FIADMP C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000442825137 1092780184 /nfs/dbraw/zinc/78/01/84/1092780184.db2.gz IEHPVXNOPAMFRH-YSIASYRMSA-N 2 1 359.517 4.135 20 0 FIADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2)s1 ZINC000442869733 1092817378 /nfs/dbraw/zinc/81/73/78/1092817378.db2.gz FFDVAFFJIHERIX-QGZVFWFLSA-N 2 1 357.567 4.092 20 0 FIADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(-c2ccccc2)c1 ZINC000442894474 1092847927 /nfs/dbraw/zinc/84/79/27/1092847927.db2.gz ZOBRGLNIPRBFEU-LJQANCHMSA-N 2 1 351.538 4.030 20 0 FIADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000442997988 1092904338 /nfs/dbraw/zinc/90/43/38/1092904338.db2.gz HTVNNZUNBZQMSK-UHFFFAOYSA-N 2 1 367.390 4.127 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063959 1092924996 /nfs/dbraw/zinc/92/49/96/1092924996.db2.gz XNRHJLNQETVDAP-ZWKOTPCHSA-N 2 1 351.494 4.061 20 0 FIADMP C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512563214 1092932626 /nfs/dbraw/zinc/93/26/26/1092932626.db2.gz CSVVMFDNBJXUGQ-CBQGHPETSA-N 2 1 368.496 4.462 20 0 FIADMP C[NH+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512563214 1092932632 /nfs/dbraw/zinc/93/26/32/1092932632.db2.gz CSVVMFDNBJXUGQ-CBQGHPETSA-N 2 1 368.496 4.462 20 0 FIADMP C[NH+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512563214 1092932634 /nfs/dbraw/zinc/93/26/34/1092932634.db2.gz CSVVMFDNBJXUGQ-CBQGHPETSA-N 2 1 368.496 4.462 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000474039817 1092950501 /nfs/dbraw/zinc/95/05/01/1092950501.db2.gz TWOLZINXHHLXJL-DXVXXHEXSA-N 2 1 370.581 4.472 20 0 FIADMP C[C@@H]1CC(NCCC[N@@H+]2CCCC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015285 1092998348 /nfs/dbraw/zinc/99/83/48/1092998348.db2.gz QMDRBHSAFFVSEB-NJDAHSKKSA-N 2 1 357.586 4.282 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015832 1093039155 /nfs/dbraw/zinc/03/91/55/1093039155.db2.gz SMWQPCYCNSNXRW-YDLSIGKMSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512634890 1093050652 /nfs/dbraw/zinc/05/06/52/1093050652.db2.gz FSQFWOPKHYGXKU-CWKRKGSWSA-N 2 1 370.581 4.066 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000474064657 1093177725 /nfs/dbraw/zinc/17/77/25/1093177725.db2.gz JQBXJZZURVAXPW-ZADIZFFCSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000474064657 1093177731 /nfs/dbraw/zinc/17/77/31/1093177731.db2.gz JQBXJZZURVAXPW-ZADIZFFCSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020381 1093211953 /nfs/dbraw/zinc/21/19/53/1093211953.db2.gz MUAFSTKDJYBUGY-IUTQVRIDSA-N 3 1 357.586 4.284 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168020381 1093211961 /nfs/dbraw/zinc/21/19/61/1093211961.db2.gz MUAFSTKDJYBUGY-IUTQVRIDSA-N 2 1 357.586 4.284 20 0 FIADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443584877 1093284939 /nfs/dbraw/zinc/28/49/39/1093284939.db2.gz TXGNBUYMPFWZCA-YJYMSZOUSA-N 2 1 371.352 4.005 20 0 FIADMP C[C@@H]1CC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168022651 1093312850 /nfs/dbraw/zinc/31/28/50/1093312850.db2.gz AVOOOVGUTFYMBP-QPJZEMMPSA-N 2 1 355.570 4.033 20 0 FIADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604090 1093314982 /nfs/dbraw/zinc/31/49/82/1093314982.db2.gz SCYWOZLZMXPDLW-UHFFFAOYSA-N 2 1 372.532 4.283 20 0 FIADMP c1cnn(CCCCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433170872 1093362409 /nfs/dbraw/zinc/36/24/09/1093362409.db2.gz ADSWAQPAWLTEKI-UHFFFAOYSA-N 2 1 366.553 4.042 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023526 1093363657 /nfs/dbraw/zinc/36/36/57/1093363657.db2.gz XFBUFAZMQSUELW-JHDGKUDLSA-N 2 1 374.532 4.404 20 0 FIADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000443646763 1093386941 /nfs/dbraw/zinc/38/69/41/1093386941.db2.gz WSEBJRDWUGSVEN-OFNKIYASSA-N 2 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646763 1093386947 /nfs/dbraw/zinc/38/69/47/1093386947.db2.gz WSEBJRDWUGSVEN-OFNKIYASSA-N 3 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646763 1093386958 /nfs/dbraw/zinc/38/69/58/1093386958.db2.gz WSEBJRDWUGSVEN-OFNKIYASSA-N 3 1 361.618 4.107 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000512832384 1093411839 /nfs/dbraw/zinc/41/18/39/1093411839.db2.gz HHPYLQNCUZQYRK-UHFFFAOYSA-N 2 1 374.960 4.354 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000512841829 1093436730 /nfs/dbraw/zinc/43/67/30/1093436730.db2.gz UCFLGHGGSFLNGM-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000512841829 1093436731 /nfs/dbraw/zinc/43/67/31/1093436731.db2.gz UCFLGHGGSFLNGM-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000389160267 1093479324 /nfs/dbraw/zinc/47/93/24/1093479324.db2.gz YNNLUGBLTUQPNA-DHIUTWEWSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000389160267 1093479331 /nfs/dbraw/zinc/47/93/31/1093479331.db2.gz YNNLUGBLTUQPNA-DHIUTWEWSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000389160267 1093479335 /nfs/dbraw/zinc/47/93/35/1093479335.db2.gz YNNLUGBLTUQPNA-DHIUTWEWSA-N 2 1 356.554 4.037 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000158566896 1093535693 /nfs/dbraw/zinc/53/56/93/1093535693.db2.gz OGWZSXYFKSUPNQ-OTWHNJEPSA-N 2 1 373.541 4.052 20 0 FIADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000433319449 1093579187 /nfs/dbraw/zinc/57/91/87/1093579187.db2.gz OLPNWPQBTMBRAR-JOCHJYFZSA-N 2 1 369.553 4.061 20 0 FIADMP C[C@@H]1CC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034086 1093738567 /nfs/dbraw/zinc/73/85/67/1093738567.db2.gz OHFUEWBGNDUZNT-VIZSFHNOSA-N 2 1 369.597 4.282 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000164598969 1093817902 /nfs/dbraw/zinc/81/79/02/1093817902.db2.gz QZCJHDGDEQWOEQ-LBPRGKRZSA-N 2 1 354.267 4.224 20 0 FIADMP Cc1cccc([C@@H](CO)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168035687 1093821496 /nfs/dbraw/zinc/82/14/96/1093821496.db2.gz UIPFIHFYYNQWGQ-SFYKDHMMSA-N 2 1 352.522 4.060 20 0 FIADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513152985 1093911461 /nfs/dbraw/zinc/91/14/61/1093911461.db2.gz HHAAVBCKFBOXKO-JWTNVVGKSA-N 2 1 370.459 4.421 20 0 FIADMP C[NH+](CCCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513152985 1093911463 /nfs/dbraw/zinc/91/14/63/1093911463.db2.gz HHAAVBCKFBOXKO-JWTNVVGKSA-N 2 1 370.459 4.421 20 0 FIADMP C[NH+](CCCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513152985 1093911465 /nfs/dbraw/zinc/91/14/65/1093911465.db2.gz HHAAVBCKFBOXKO-JWTNVVGKSA-N 2 1 370.459 4.421 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513214224 1094010117 /nfs/dbraw/zinc/01/01/17/1094010117.db2.gz XVATWTCSLMTTJK-ZHHKINOHSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513214224 1094010124 /nfs/dbraw/zinc/01/01/24/1094010124.db2.gz XVATWTCSLMTTJK-ZHHKINOHSA-N 2 1 358.570 4.470 20 0 FIADMP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337691 1094064330 /nfs/dbraw/zinc/06/43/30/1094064330.db2.gz JMDUIDIDWBMCCU-VOSMRYOYSA-N 2 1 364.533 4.348 20 0 FIADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000513510501 1094184694 /nfs/dbraw/zinc/18/46/94/1094184694.db2.gz DDNMHCOUICJICE-UYAOXDASSA-N 2 1 368.521 4.094 20 0 FIADMP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000513510499 1094184941 /nfs/dbraw/zinc/18/49/41/1094184941.db2.gz DDNMHCOUICJICE-ICSRJNTNSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]CC2=Cc3ccccc3OC2)C[N@H+]1Cc1ccccc1 ZINC000513513838 1094186572 /nfs/dbraw/zinc/18/65/72/1094186572.db2.gz UWKXZBBWDVQKNG-TZIWHRDSSA-N 2 1 362.517 4.353 20 0 FIADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000513534725 1094203398 /nfs/dbraw/zinc/20/33/98/1094203398.db2.gz YQWFSJFLOZYZMZ-VKAVYKQESA-N 2 1 350.934 4.222 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000513667013 1094264217 /nfs/dbraw/zinc/26/42/17/1094264217.db2.gz PFTMIWSXYNXPLW-FDFHNCONSA-N 2 1 369.553 4.168 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000513697635 1094351240 /nfs/dbraw/zinc/35/12/40/1094351240.db2.gz PZKOCGDEBXPEFH-VLCRHTCISA-N 2 1 353.485 4.001 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000513697635 1094351249 /nfs/dbraw/zinc/35/12/49/1094351249.db2.gz PZKOCGDEBXPEFH-VLCRHTCISA-N 2 1 353.485 4.001 20 0 FIADMP CC(C)c1ccc(C[C@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000501030363 1094430035 /nfs/dbraw/zinc/43/00/35/1094430035.db2.gz UTJPGYTVRRLGKD-HSZRJFAPSA-N 2 1 371.613 4.091 20 0 FIADMP C[C@@H]1C[C@@H](N2CCC([NH+]3CCCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039011 1094439270 /nfs/dbraw/zinc/43/92/70/1094439270.db2.gz AVPLUEQLBQFJNB-RUMRUAAYSA-N 2 1 369.597 4.378 20 0 FIADMP COc1ccc2c(c1)CC[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168040235 1094504850 /nfs/dbraw/zinc/50/48/50/1094504850.db2.gz LKIOQXLVRMAAOB-RTBURBONSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)CC[N@@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168040235 1094504855 /nfs/dbraw/zinc/50/48/55/1094504855.db2.gz LKIOQXLVRMAAOB-RTBURBONSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)CC[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168040234 1094505572 /nfs/dbraw/zinc/50/55/72/1094505572.db2.gz LKIOQXLVRMAAOB-OALUTQOASA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)CC[N@@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168040234 1094505577 /nfs/dbraw/zinc/50/55/77/1094505577.db2.gz LKIOQXLVRMAAOB-OALUTQOASA-N 2 1 364.533 4.495 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501135533 1094523999 /nfs/dbraw/zinc/52/39/99/1094523999.db2.gz PKCQDAPGMWBBOE-KRWDZBQOSA-N 2 1 371.491 4.114 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CCCCC1 ZINC000474720100 1094540043 /nfs/dbraw/zinc/54/00/43/1094540043.db2.gz ORLUKERUKNQJAI-IBGZPJMESA-N 2 1 374.569 4.235 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1 ZINC000501405054 1094696399 /nfs/dbraw/zinc/69/63/99/1094696399.db2.gz IIUMSDQXJUGOCI-URXFXBBRSA-N 2 1 363.549 4.405 20 0 FIADMP Fc1ccc(C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404008 1094696443 /nfs/dbraw/zinc/69/64/43/1094696443.db2.gz FDRAPBHRRPYMRL-RTWAWAEBSA-N 2 1 356.460 4.313 20 0 FIADMP Clc1ccc(CCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000420313747 1094878217 /nfs/dbraw/zinc/87/82/17/1094878217.db2.gz PVUSAXUAVSTZKU-NRFANRHFSA-N 2 1 357.929 4.312 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344311 1094886635 /nfs/dbraw/zinc/88/66/35/1094886635.db2.gz SRZLLNFZYLRIRR-NRFANRHFSA-N 2 1 371.569 4.336 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420390974 1094909585 /nfs/dbraw/zinc/90/95/85/1094909585.db2.gz IEAXLRAAIHNERE-PXNSSMCTSA-N 2 1 370.928 4.069 20 0 FIADMP C[C@H](CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)OCc1ccccc1 ZINC000474960308 1094951283 /nfs/dbraw/zinc/95/12/83/1094951283.db2.gz OCUMPSZDQMGYLW-HXUWFJFHSA-N 2 1 367.537 4.225 20 0 FIADMP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000502059016 1095077110 /nfs/dbraw/zinc/07/71/10/1095077110.db2.gz VHRQNFNWRLLPCZ-REWPJTCUSA-N 2 1 374.569 4.235 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)[nH+]c1 ZINC000502268034 1095311233 /nfs/dbraw/zinc/31/12/33/1095311233.db2.gz KRBGJDZVWUSPHI-NQIIRXRSSA-N 2 1 350.510 4.070 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000280953144 1095462532 /nfs/dbraw/zinc/46/25/32/1095462532.db2.gz IWLADRHVKYSOJF-OEXSPLCWSA-N 2 1 374.594 4.074 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421321965 1095523317 /nfs/dbraw/zinc/52/33/17/1095523317.db2.gz CVJUKCQTPQJYPM-UHFFFAOYSA-N 2 1 363.509 4.350 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421337384 1095552997 /nfs/dbraw/zinc/55/29/97/1095552997.db2.gz YXKPZFBITNHAOG-IFMALSPDSA-N 2 1 364.537 4.382 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000421337384 1095553010 /nfs/dbraw/zinc/55/30/10/1095553010.db2.gz YXKPZFBITNHAOG-IFMALSPDSA-N 2 1 364.537 4.382 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cnn(C4CCCC4)c3)CC2)[nH+]1 ZINC000502687470 1095715380 /nfs/dbraw/zinc/71/53/80/1095715380.db2.gz ZWTODHAUIWMPNB-QGZVFWFLSA-N 2 1 353.514 4.021 20 0 FIADMP CC[N@@H+](CCCCn1ccnc1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000502693894 1095717367 /nfs/dbraw/zinc/71/73/67/1095717367.db2.gz LXRFROCERYZJBB-DENIHFKCSA-N 2 1 354.542 4.129 20 0 FIADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000502693894 1095717382 /nfs/dbraw/zinc/71/73/82/1095717382.db2.gz LXRFROCERYZJBB-DENIHFKCSA-N 2 1 354.542 4.129 20 0 FIADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000502693894 1095717399 /nfs/dbraw/zinc/71/73/99/1095717399.db2.gz LXRFROCERYZJBB-DENIHFKCSA-N 2 1 354.542 4.129 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C)c(C)o3)CC2)cs1 ZINC000502707852 1095720199 /nfs/dbraw/zinc/72/01/99/1095720199.db2.gz HAGDRCZYUBKNPN-HNNXBMFYSA-N 2 1 361.555 4.478 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C)c(C)o3)CC2)cs1 ZINC000502707853 1095721050 /nfs/dbraw/zinc/72/10/50/1095721050.db2.gz HAGDRCZYUBKNPN-OAHLLOKOSA-N 2 1 361.555 4.478 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000503162527 1096100971 /nfs/dbraw/zinc/10/09/71/1096100971.db2.gz VBAUMFGEYBXHRI-YRXWBPOGSA-N 2 1 357.542 4.261 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000503162527 1096100978 /nfs/dbraw/zinc/10/09/78/1096100978.db2.gz VBAUMFGEYBXHRI-YRXWBPOGSA-N 2 1 357.542 4.261 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000503162527 1096100982 /nfs/dbraw/zinc/10/09/82/1096100982.db2.gz VBAUMFGEYBXHRI-YRXWBPOGSA-N 2 1 357.542 4.261 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000503162526 1096101252 /nfs/dbraw/zinc/10/12/52/1096101252.db2.gz VBAUMFGEYBXHRI-XWSJACJDSA-N 2 1 357.542 4.261 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)s2)cc1 ZINC000271817147 1096131088 /nfs/dbraw/zinc/13/10/88/1096131088.db2.gz BSGUNQHTZLXYGZ-AWEZNQCLSA-N 2 1 357.523 4.040 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422698029 1096453770 /nfs/dbraw/zinc/45/37/70/1096453770.db2.gz XHRHYODOBHRUDG-MSOLQXFVSA-N 2 1 355.482 4.022 20 0 FIADMP CCc1cc(OC)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000503579043 1096484413 /nfs/dbraw/zinc/48/44/13/1096484413.db2.gz YWCGLZRCABRPNH-UHFFFAOYSA-N 2 1 353.510 4.170 20 0 FIADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422804871 1096494725 /nfs/dbraw/zinc/49/47/25/1096494725.db2.gz GDFBWFONRIBCNM-LDVJMBRRSA-N 2 1 350.506 4.298 20 0 FIADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422804869 1096495288 /nfs/dbraw/zinc/49/52/88/1096495288.db2.gz GDFBWFONRIBCNM-ACESQOTJSA-N 2 1 350.506 4.298 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)cc1 ZINC000422886278 1096512952 /nfs/dbraw/zinc/51/29/52/1096512952.db2.gz IRNMASFDOKZXPK-FDFHNCONSA-N 2 1 369.484 4.413 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886581 1096513879 /nfs/dbraw/zinc/51/38/79/1096513879.db2.gz XCCPQPFGSMQNBW-MSOLQXFVSA-N 3 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422886581 1096513884 /nfs/dbraw/zinc/51/38/84/1096513884.db2.gz XCCPQPFGSMQNBW-MSOLQXFVSA-N 2 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886581 1096513890 /nfs/dbraw/zinc/51/38/90/1096513890.db2.gz XCCPQPFGSMQNBW-MSOLQXFVSA-N 2 1 366.553 4.074 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422888794 1096515274 /nfs/dbraw/zinc/51/52/74/1096515274.db2.gz NYEKAZOMVINLGR-PCCBWWKXSA-N 2 1 355.457 4.023 20 0 FIADMP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000422918087 1096531252 /nfs/dbraw/zinc/53/12/52/1096531252.db2.gz HKBHIPIYLGZKFT-IFXJQAMLSA-N 2 1 368.855 4.051 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000414705573 1096531683 /nfs/dbraw/zinc/53/16/83/1096531683.db2.gz FMYAAWYPQQDCNF-PXNSSMCTSA-N 2 1 372.557 4.090 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422990331 1096539988 /nfs/dbraw/zinc/53/99/88/1096539988.db2.gz BQXSUENXLMXBDJ-PKTZIBPZSA-N 2 1 361.489 4.146 20 0 FIADMP CCC(CC)(C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414709323 1096542524 /nfs/dbraw/zinc/54/25/24/1096542524.db2.gz JRRBOZRVQZIPHZ-UHFFFAOYSA-N 2 1 360.546 4.090 20 0 FIADMP FC(F)(F)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423039105 1096557446 /nfs/dbraw/zinc/55/74/46/1096557446.db2.gz PSWFQSXNCOSFKH-KGLIPLIRSA-N 2 1 365.237 4.174 20 0 FIADMP FC(F)(F)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423039106 1096557713 /nfs/dbraw/zinc/55/77/13/1096557713.db2.gz PSWFQSXNCOSFKH-UONOGXRCSA-N 2 1 365.237 4.174 20 0 FIADMP FC(F)(F)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423066522 1096561997 /nfs/dbraw/zinc/56/19/97/1096561997.db2.gz WWSNGHAHJHOZOI-UONOGXRCSA-N 2 1 354.338 4.431 20 0 FIADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423052680 1096565569 /nfs/dbraw/zinc/56/55/69/1096565569.db2.gz RBDKZQCXJQREKU-KBRIMQKVSA-N 2 1 359.514 4.304 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503909255 1096592835 /nfs/dbraw/zinc/59/28/35/1096592835.db2.gz LEIKDJJSYKQBRF-QXCFHYIPSA-N 2 1 352.469 4.037 20 0 FIADMP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423186188 1096596977 /nfs/dbraw/zinc/59/69/77/1096596977.db2.gz KNJFFXSDOCQERK-SFHVURJKSA-N 2 1 350.293 4.145 20 0 FIADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2cc(OC)ccc2c1 ZINC000423187081 1096609654 /nfs/dbraw/zinc/60/96/54/1096609654.db2.gz LSBKRWCAEYVIOJ-QHCPKHFHSA-N 2 1 363.505 4.464 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423217442 1096620541 /nfs/dbraw/zinc/62/05/41/1096620541.db2.gz UFIJHYCIMWHBDC-JSGCOSHPSA-N 2 1 367.324 4.138 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265792 1096626419 /nfs/dbraw/zinc/62/64/19/1096626419.db2.gz RIYVRMKNABSRGU-UZLBHIALSA-N 2 1 360.546 4.119 20 0 FIADMP CCCC[C@H](C[NH3+])[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298607 1096644181 /nfs/dbraw/zinc/64/41/81/1096644181.db2.gz OTPPVXRSFRUNBR-MSOLQXFVSA-N 2 1 369.347 4.024 20 0 FIADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1ccc(Cl)cc1 ZINC000423296003 1096644477 /nfs/dbraw/zinc/64/44/77/1096644477.db2.gz YESRGHQIJIRFGM-UONOGXRCSA-N 2 1 369.900 4.100 20 0 FIADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414739237 1096668552 /nfs/dbraw/zinc/66/85/52/1096668552.db2.gz PXUZRDQLVRJUMJ-KBPBESRZSA-N 2 1 372.340 4.032 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423405215 1096673851 /nfs/dbraw/zinc/67/38/51/1096673851.db2.gz ZRMINWXMMVJXDL-XUJVJEKNSA-N 2 1 367.324 4.279 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000423460425 1096689586 /nfs/dbraw/zinc/68/95/86/1096689586.db2.gz BEHXFKATCGGHPO-DKICVRJWSA-N 2 1 360.448 4.017 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000423466621 1096691765 /nfs/dbraw/zinc/69/17/65/1096691765.db2.gz IMIOOIHWTYSPKM-LKUPVBHCSA-N 2 1 363.480 4.418 20 0 FIADMP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cc1F ZINC000423507600 1096702568 /nfs/dbraw/zinc/70/25/68/1096702568.db2.gz JQWZAVXPXVXEIP-MLGOLLRUSA-N 2 1 366.278 4.114 20 0 FIADMP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ncc(Br)s1 ZINC000423508353 1096703458 /nfs/dbraw/zinc/70/34/58/1096703458.db2.gz QPUJMQSXUZPTCM-YPMHNXCESA-N 2 1 354.317 4.036 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434028 1098616331 /nfs/dbraw/zinc/61/63/31/1098616331.db2.gz PDJUTCIDVHSCHX-DENIHFKCSA-N 2 1 372.516 4.144 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434028 1098616334 /nfs/dbraw/zinc/61/63/34/1098616334.db2.gz PDJUTCIDVHSCHX-DENIHFKCSA-N 2 1 372.516 4.144 20 0 FIADMP Cc1ncsc1C[N@H+](CCc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000436057290 1098684105 /nfs/dbraw/zinc/68/41/05/1098684105.db2.gz XVMMFAFNWYMSEN-IBGZPJMESA-N 2 1 365.546 4.259 20 0 FIADMP Cc1ncsc1C[N@@H+](CCc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000436057290 1098684113 /nfs/dbraw/zinc/68/41/13/1098684113.db2.gz XVMMFAFNWYMSEN-IBGZPJMESA-N 2 1 365.546 4.259 20 0 FIADMP c1ccc(C2CCC(C[NH2+]CC3([NH+]4CCCC4)CCOCC3)CC2)cc1 ZINC000515710705 1098850727 /nfs/dbraw/zinc/85/07/27/1098850727.db2.gz YAQAIJFGDMDSPI-UHFFFAOYSA-N 2 1 356.554 4.195 20 0 FIADMP CCCO[C@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280629 1098944868 /nfs/dbraw/zinc/94/48/68/1098944868.db2.gz LRGIUMLOLVNAOK-VXKWHMMOSA-N 2 1 368.606 4.185 20 0 FIADMP c1ccc(-c2ccccc2C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000729686894 1099004920 /nfs/dbraw/zinc/00/49/20/1099004920.db2.gz KWFGLQKLFDKPCT-UHFFFAOYSA-N 2 1 350.506 4.088 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219089 1099273027 /nfs/dbraw/zinc/27/30/27/1099273027.db2.gz RHGZGBZEBDNFDO-JTSKRJEESA-N 2 1 368.521 4.352 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219089 1099273035 /nfs/dbraw/zinc/27/30/35/1099273035.db2.gz RHGZGBZEBDNFDO-JTSKRJEESA-N 2 1 368.521 4.352 20 0 FIADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000459389537 1099364935 /nfs/dbraw/zinc/36/49/35/1099364935.db2.gz QWENBIKSYBPQFB-QHCPKHFHSA-N 2 1 363.505 4.162 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000067691377 1099487948 /nfs/dbraw/zinc/48/79/48/1099487948.db2.gz RQWZDIDIIZEQPM-FQEVSTJZSA-N 2 1 367.537 4.405 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cc(F)ccc43)CC2)cs1 ZINC000161765802 1099534968 /nfs/dbraw/zinc/53/49/68/1099534968.db2.gz VFDVANYHMYEPAI-HXUWFJFHSA-N 2 1 373.541 4.334 20 0 FIADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000516636735 1099666263 /nfs/dbraw/zinc/66/62/63/1099666263.db2.gz PSJMMMXAOGTBGK-JKIUYZKVSA-N 2 1 352.497 4.368 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162289623 1099678692 /nfs/dbraw/zinc/67/86/92/1099678692.db2.gz XDQLVNMHCPZPJY-OAHLLOKOSA-N 2 1 356.539 4.135 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc(C)c(F)c(C)c3)CC2)nc(C)[nH+]1 ZINC000162321377 1099689816 /nfs/dbraw/zinc/68/98/16/1099689816.db2.gz MTZYMIDZTHEXOL-MRXNPFEDSA-N 2 1 356.489 4.169 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167961934 1099750332 /nfs/dbraw/zinc/75/03/32/1099750332.db2.gz QQNHOILBXWAQRT-ALOPSCKCSA-N 2 1 354.416 4.080 20 0 FIADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000516773626 1099789937 /nfs/dbraw/zinc/78/99/37/1099789937.db2.gz XQEPPPXWPBXTJL-SFHVURJKSA-N 2 1 365.521 4.075 20 0 FIADMP C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693517 1099825242 /nfs/dbraw/zinc/82/52/42/1099825242.db2.gz CVCMDXPYEWRFFT-RXVVDRJESA-N 2 1 372.940 4.357 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508697996 1099830322 /nfs/dbraw/zinc/83/03/22/1099830322.db2.gz KPYCSKMQAGRMIZ-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508697996 1099830335 /nfs/dbraw/zinc/83/03/35/1099830335.db2.gz KPYCSKMQAGRMIZ-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508697996 1099830347 /nfs/dbraw/zinc/83/03/47/1099830347.db2.gz KPYCSKMQAGRMIZ-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508697996 1099830362 /nfs/dbraw/zinc/83/03/62/1099830362.db2.gz KPYCSKMQAGRMIZ-FUPPJEDESA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508697996 1099830371 /nfs/dbraw/zinc/83/03/71/1099830371.db2.gz KPYCSKMQAGRMIZ-FUPPJEDESA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699233 1099833365 /nfs/dbraw/zinc/83/33/65/1099833365.db2.gz NRMSSHLNPVEMOW-IFMALSPDSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H](NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699233 1099833384 /nfs/dbraw/zinc/83/33/84/1099833384.db2.gz NRMSSHLNPVEMOW-IFMALSPDSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H](NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699233 1099833395 /nfs/dbraw/zinc/83/33/95/1099833395.db2.gz NRMSSHLNPVEMOW-IFMALSPDSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699233 1099833402 /nfs/dbraw/zinc/83/34/02/1099833402.db2.gz NRMSSHLNPVEMOW-IFMALSPDSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699233 1099833412 /nfs/dbraw/zinc/83/34/12/1099833412.db2.gz NRMSSHLNPVEMOW-IFMALSPDSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699233 1099833421 /nfs/dbraw/zinc/83/34/21/1099833421.db2.gz NRMSSHLNPVEMOW-IFMALSPDSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699233 1099833429 /nfs/dbraw/zinc/83/34/29/1099833429.db2.gz NRMSSHLNPVEMOW-IFMALSPDSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699238 1099833974 /nfs/dbraw/zinc/83/39/74/1099833974.db2.gz NRMSSHLNPVEMOW-UNMCSNQZSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H](NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699238 1099833987 /nfs/dbraw/zinc/83/39/87/1099833987.db2.gz NRMSSHLNPVEMOW-UNMCSNQZSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H](NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699238 1099833996 /nfs/dbraw/zinc/83/39/96/1099833996.db2.gz NRMSSHLNPVEMOW-UNMCSNQZSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699238 1099834010 /nfs/dbraw/zinc/83/40/10/1099834010.db2.gz NRMSSHLNPVEMOW-UNMCSNQZSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699238 1099834020 /nfs/dbraw/zinc/83/40/20/1099834020.db2.gz NRMSSHLNPVEMOW-UNMCSNQZSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699238 1099834030 /nfs/dbraw/zinc/83/40/30/1099834030.db2.gz NRMSSHLNPVEMOW-UNMCSNQZSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699238 1099834039 /nfs/dbraw/zinc/83/40/39/1099834039.db2.gz NRMSSHLNPVEMOW-UNMCSNQZSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000508703637 1099858233 /nfs/dbraw/zinc/85/82/33/1099858233.db2.gz ZEWFWECILGOBCE-JTAQYXEDSA-N 2 1 374.532 4.434 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000079919043 1099863147 /nfs/dbraw/zinc/86/31/47/1099863147.db2.gz HIZTVQVPTSZPNG-UHFFFAOYSA-N 2 1 352.482 4.108 20 0 FIADMP COc1c(F)cc(F)cc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001143563060 1099869327 /nfs/dbraw/zinc/86/93/27/1099869327.db2.gz LAHGQIIYMIGEEQ-UHFFFAOYSA-N 2 1 374.475 4.317 20 0 FIADMP C[C@H]([NH2+]CCCCN(C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715622 1099885640 /nfs/dbraw/zinc/88/56/40/1099885640.db2.gz DRVUWMFURVRBBB-JTHBVZDNSA-N 2 1 365.565 4.403 20 0 FIADMP COc1cc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000508717887 1099907927 /nfs/dbraw/zinc/90/79/27/1099907927.db2.gz MQRAWUKTVMYHBN-SIKLNZKXSA-N 2 1 352.522 4.046 20 0 FIADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721164 1099939125 /nfs/dbraw/zinc/93/91/25/1099939125.db2.gz UANVVRIKQWTLBG-RBDMOPTHSA-N 2 1 356.485 4.013 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000508720926 1099939399 /nfs/dbraw/zinc/93/93/99/1099939399.db2.gz NWSOJSNYWGPJPN-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720926 1099939404 /nfs/dbraw/zinc/93/94/04/1099939404.db2.gz NWSOJSNYWGPJPN-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720926 1099939405 /nfs/dbraw/zinc/93/94/05/1099939405.db2.gz NWSOJSNYWGPJPN-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000508720926 1099939407 /nfs/dbraw/zinc/93/94/07/1099939407.db2.gz NWSOJSNYWGPJPN-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000508720926 1099939409 /nfs/dbraw/zinc/93/94/09/1099939409.db2.gz NWSOJSNYWGPJPN-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4ccccc4C[C@H]3C)CC2)oc1C ZINC000162744347 1099980544 /nfs/dbraw/zinc/98/05/44/1099980544.db2.gz LQRKXWDPPGQELL-QRQCRPRQSA-N 2 1 353.510 4.027 20 0 FIADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000517034929 1099996347 /nfs/dbraw/zinc/99/63/47/1099996347.db2.gz CPKHWLCLRCRZMN-JOCHJYFZSA-N 2 1 360.505 4.039 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000437580611 1099997885 /nfs/dbraw/zinc/99/78/85/1099997885.db2.gz NUOCGBOOVJFIFL-UHFFFAOYSA-N 2 1 372.532 4.014 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467360077 1100105530 /nfs/dbraw/zinc/10/55/30/1100105530.db2.gz WFCXVVUHIAEVHO-ZSLQJQOZSA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467360077 1100105534 /nfs/dbraw/zinc/10/55/34/1100105534.db2.gz WFCXVVUHIAEVHO-ZSLQJQOZSA-N 2 1 356.554 4.082 20 0 FIADMP Cc1sc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)nc1-c1ccc(Cl)cc1 ZINC000459402563 1100109300 /nfs/dbraw/zinc/10/93/00/1100109300.db2.gz KFMKOEHJECSHSE-GFCCVEGCSA-N 2 1 360.914 4.399 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000459395682 1100119057 /nfs/dbraw/zinc/11/90/57/1100119057.db2.gz YYURVHLAOGIEEH-UHFFFAOYSA-N 2 1 372.582 4.326 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000459397722 1100123711 /nfs/dbraw/zinc/12/37/11/1100123711.db2.gz YDNDWKJGYXOOLN-UHFFFAOYSA-N 2 1 350.506 4.387 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OCC ZINC000261947319 1100126207 /nfs/dbraw/zinc/12/62/07/1100126207.db2.gz FNAHCFPPAOLKMT-UHFFFAOYSA-N 2 1 366.933 4.103 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)c1 ZINC000459413680 1100136272 /nfs/dbraw/zinc/13/62/72/1100136272.db2.gz USKZGHZYVJXMQL-UHFFFAOYSA-N 2 1 368.550 4.323 20 0 FIADMP COc1cccc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000536703542 1100208761 /nfs/dbraw/zinc/20/87/61/1100208761.db2.gz ROBGJFMOZXXRDJ-SFHVURJKSA-N 2 1 353.510 4.390 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628414 1100244102 /nfs/dbraw/zinc/24/41/02/1100244102.db2.gz IXHGKJJKKQZJSB-KNKQGSTJSA-N 2 1 352.522 4.356 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628414 1100244108 /nfs/dbraw/zinc/24/41/08/1100244108.db2.gz IXHGKJJKKQZJSB-KNKQGSTJSA-N 2 1 352.522 4.356 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643890 1100251977 /nfs/dbraw/zinc/25/19/77/1100251977.db2.gz BOXKCOBFQKNQHJ-GIVPXCGWSA-N 2 1 350.506 4.195 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643890 1100251983 /nfs/dbraw/zinc/25/19/83/1100251983.db2.gz BOXKCOBFQKNQHJ-GIVPXCGWSA-N 2 1 350.506 4.195 20 0 FIADMP Fc1cc(Br)cc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000459507645 1100261442 /nfs/dbraw/zinc/26/14/42/1100261442.db2.gz WIQQNPZPHQIQSF-GOSISDBHSA-N 2 1 367.306 4.256 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655256 1100282214 /nfs/dbraw/zinc/28/22/14/1100282214.db2.gz LBOQJVOQOMLZOR-UWVAXJGDSA-N 2 1 352.478 4.119 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655256 1100282222 /nfs/dbraw/zinc/28/22/22/1100282222.db2.gz LBOQJVOQOMLZOR-UWVAXJGDSA-N 2 1 352.478 4.119 20 0 FIADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000459551035 1100298824 /nfs/dbraw/zinc/29/88/24/1100298824.db2.gz LTLXRLRHOWXWNE-UHFFFAOYSA-N 2 1 365.905 4.115 20 0 FIADMP Cc1ccc2cc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)ccc2n1 ZINC000437991753 1100355268 /nfs/dbraw/zinc/35/52/68/1100355268.db2.gz YGGXSVSKRZZTHC-UHFFFAOYSA-N 2 1 360.505 4.287 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]CCCCCOc3ccccc3)CC2)cc1 ZINC000438088684 1100414490 /nfs/dbraw/zinc/41/44/90/1100414490.db2.gz LGMODMXNHIDOKO-UHFFFAOYSA-N 2 1 352.522 4.490 20 0 FIADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000517538047 1100458524 /nfs/dbraw/zinc/45/85/24/1100458524.db2.gz GGYQLXYOIABNHQ-UHFFFAOYSA-N 2 1 368.521 4.022 20 0 FIADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1OCC ZINC000517538047 1100458532 /nfs/dbraw/zinc/45/85/32/1100458532.db2.gz GGYQLXYOIABNHQ-UHFFFAOYSA-N 2 1 368.521 4.022 20 0 FIADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414925591 1100550009 /nfs/dbraw/zinc/55/00/09/1100550009.db2.gz JWSZCGIWMPMDIM-QHCPKHFHSA-N 2 1 367.512 4.082 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C2 ZINC000426058620 1100744963 /nfs/dbraw/zinc/74/49/63/1100744963.db2.gz MIOYIDMPHTVWIB-SPEDKVCISA-N 2 1 370.562 4.287 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000426058620 1100744971 /nfs/dbraw/zinc/74/49/71/1100744971.db2.gz MIOYIDMPHTVWIB-SPEDKVCISA-N 2 1 370.562 4.287 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000518271648 1101055070 /nfs/dbraw/zinc/05/50/70/1101055070.db2.gz DUSASUIFBJGTSZ-UHFFFAOYSA-N 2 1 374.960 4.167 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000518470713 1101231710 /nfs/dbraw/zinc/23/17/10/1101231710.db2.gz SRBHIWMIQGNULN-HXUWFJFHSA-N 2 1 361.917 4.335 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000518470713 1101231718 /nfs/dbraw/zinc/23/17/18/1101231718.db2.gz SRBHIWMIQGNULN-HXUWFJFHSA-N 2 1 361.917 4.335 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426324060 1101272015 /nfs/dbraw/zinc/27/20/15/1101272015.db2.gz OYWOICCTJGIATH-KRWDZBQOSA-N 2 1 351.332 4.146 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426326519 1101274106 /nfs/dbraw/zinc/27/41/06/1101274106.db2.gz ZMBIQJQTWKLOPJ-PCCBWWKXSA-N 2 1 367.537 4.326 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426326519 1101274111 /nfs/dbraw/zinc/27/41/11/1101274111.db2.gz ZMBIQJQTWKLOPJ-PCCBWWKXSA-N 2 1 367.537 4.326 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439325026 1101347477 /nfs/dbraw/zinc/34/74/77/1101347477.db2.gz HRCGLBOUEZFNQV-SFHVURJKSA-N 2 1 351.332 4.113 20 0 FIADMP CC(C)[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536963024 1101358722 /nfs/dbraw/zinc/35/87/22/1101358722.db2.gz NOEKHOMBTBITOY-FQEVSTJZSA-N 2 1 359.514 4.475 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC1CCCC1 ZINC000537053302 1101428486 /nfs/dbraw/zinc/42/84/86/1101428486.db2.gz KKVVZWIIKYAHJA-MRXNPFEDSA-N 2 1 357.498 4.262 20 0 FIADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cncs1 ZINC000537093172 1101459980 /nfs/dbraw/zinc/45/99/80/1101459980.db2.gz AANNPMVQVYOPRD-KSZLIROESA-N 2 1 373.566 4.003 20 0 FIADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cncs1 ZINC000537093171 1101460287 /nfs/dbraw/zinc/46/02/87/1101460287.db2.gz AANNPMVQVYOPRD-FGTMMUONSA-N 2 1 373.566 4.003 20 0 FIADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCC(C)C ZINC000537108125 1101475788 /nfs/dbraw/zinc/47/57/88/1101475788.db2.gz DCOYETOKMWLZEX-KRWDZBQOSA-N 2 1 360.542 4.255 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000518750250 1101502128 /nfs/dbraw/zinc/50/21/28/1101502128.db2.gz LLVMNOCMQQRPLM-SFHVURJKSA-N 2 1 352.526 4.097 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(Br)cs2)C1 ZINC000518763528 1101519597 /nfs/dbraw/zinc/51/95/97/1101519597.db2.gz SQPAKFVCTBMAHY-OKILXGFUSA-N 2 1 359.377 4.358 20 0 FIADMP c1cnn(CCCCC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475748177 1101587451 /nfs/dbraw/zinc/58/74/51/1101587451.db2.gz MKUGIIBOZJABQA-HSZRJFAPSA-N 2 1 366.553 4.042 20 0 FIADMP c1cnn(CCCCC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475748177 1101587461 /nfs/dbraw/zinc/58/74/61/1101587461.db2.gz MKUGIIBOZJABQA-HSZRJFAPSA-N 2 1 366.553 4.042 20 0 FIADMP c1cnn(CCCCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475748177 1101587469 /nfs/dbraw/zinc/58/74/69/1101587469.db2.gz MKUGIIBOZJABQA-HSZRJFAPSA-N 2 1 366.553 4.042 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001168155298 1101590237 /nfs/dbraw/zinc/59/02/37/1101590237.db2.gz QKGHZUVCSCZQBK-SJCJKPOMSA-N 2 1 367.718 4.323 20 0 FIADMP CCOc1cccc2cc([C@H](C)[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000537303644 1101627779 /nfs/dbraw/zinc/62/77/79/1101627779.db2.gz HEBAGZGGBGXKII-KSZLIROESA-N 2 1 374.525 4.372 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131448 1101970987 /nfs/dbraw/zinc/97/09/87/1101970987.db2.gz JSDIMCHOSGUVEE-WFXMLNOXSA-N 2 1 366.505 4.019 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131448 1101970990 /nfs/dbraw/zinc/97/09/90/1101970990.db2.gz JSDIMCHOSGUVEE-WFXMLNOXSA-N 2 1 366.505 4.019 20 0 FIADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1C(F)(F)F ZINC001167965861 1101972469 /nfs/dbraw/zinc/97/24/69/1101972469.db2.gz OBCSMKQHNXIZMR-ALOPSCKCSA-N 2 1 368.443 4.209 20 0 FIADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1C(F)(F)F ZINC001167965861 1101972473 /nfs/dbraw/zinc/97/24/73/1101972473.db2.gz OBCSMKQHNXIZMR-ALOPSCKCSA-N 2 1 368.443 4.209 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000519222203 1102020264 /nfs/dbraw/zinc/02/02/64/1102020264.db2.gz SFFBTFOBBXAMNJ-PMACEKPBSA-N 2 1 373.585 4.005 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC001168184421 1102106738 /nfs/dbraw/zinc/10/67/38/1102106738.db2.gz PIAJMEMUOIXWFE-ZEQRLZLVSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC001168184421 1102106742 /nfs/dbraw/zinc/10/67/42/1102106742.db2.gz PIAJMEMUOIXWFE-ZEQRLZLVSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC001168184421 1102106746 /nfs/dbraw/zinc/10/67/46/1102106746.db2.gz PIAJMEMUOIXWFE-ZEQRLZLVSA-N 2 1 364.533 4.015 20 0 FIADMP Cc1ccc2c(ccc(C)c2C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC001168284803 1102158199 /nfs/dbraw/zinc/15/81/99/1102158199.db2.gz NUGWBBOJSAKTFP-UEVCKROQSA-N 2 1 352.522 4.140 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000061070346 1102257050 /nfs/dbraw/zinc/25/70/50/1102257050.db2.gz FFGWUYVAMZDLPG-UHFFFAOYSA-N 2 1 365.565 4.237 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655751173 1102268600 /nfs/dbraw/zinc/26/86/00/1102268600.db2.gz FXCZQGDOSUSXPG-UGKGYDQZSA-N 2 1 371.569 4.429 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655751173 1102268608 /nfs/dbraw/zinc/26/86/08/1102268608.db2.gz FXCZQGDOSUSXPG-UGKGYDQZSA-N 2 1 371.569 4.429 20 0 FIADMP CC1(C)CC([NH2+]Cc2ccccc2OCc2cccnc2)CC(C)(C)[NH2+]1 ZINC000120965272 1102291248 /nfs/dbraw/zinc/29/12/48/1102291248.db2.gz IRAGRYQDTXYNKS-UHFFFAOYSA-N 2 1 353.510 4.059 20 0 FIADMP [NH3+]CCCc1nc2ccc(Cl)cc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967963 1102304110 /nfs/dbraw/zinc/30/41/10/1102304110.db2.gz MWOKUQFOTHMXAI-JWTNVVGKSA-N 2 1 372.944 4.159 20 0 FIADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000187780780 1102316454 /nfs/dbraw/zinc/31/64/54/1102316454.db2.gz BYXUPDNCQYCIDD-ZIFCJYIRSA-N 2 1 352.526 4.114 20 0 FIADMP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969254 1102365765 /nfs/dbraw/zinc/36/57/65/1102365765.db2.gz AVFGZPBVHHZWGC-WVUPVLJSSA-N 2 1 354.538 4.149 20 0 FIADMP COc1cc(C)ccc1[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485521 1102426499 /nfs/dbraw/zinc/42/64/99/1102426499.db2.gz SQTLPMXQBGSCJD-PZJWPPBQSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485521 1102426508 /nfs/dbraw/zinc/42/65/08/1102426508.db2.gz SQTLPMXQBGSCJD-PZJWPPBQSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485521 1102426511 /nfs/dbraw/zinc/42/65/11/1102426511.db2.gz SQTLPMXQBGSCJD-PZJWPPBQSA-N 2 1 352.522 4.219 20 0 FIADMP Cc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972786 1102503831 /nfs/dbraw/zinc/50/38/31/1102503831.db2.gz BNEGNGVYVGPWOE-AYHJJNSGSA-N 2 1 363.343 4.253 20 0 FIADMP CCc1nc2ccccc2n1C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000093299874 1102564907 /nfs/dbraw/zinc/56/49/07/1102564907.db2.gz HJGTUNQKGTXHRZ-UHFFFAOYSA-N 2 1 365.525 4.221 20 0 FIADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122387038 1102570305 /nfs/dbraw/zinc/57/03/05/1102570305.db2.gz NPDPITIEVDIICH-HNNXBMFYSA-N 2 1 362.901 4.140 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000152279732 1102587063 /nfs/dbraw/zinc/58/70/63/1102587063.db2.gz XYQNYFXMEJJMBV-UTKZUKDTSA-N 2 1 364.493 4.261 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1)C(C)C ZINC000116547724 1102621610 /nfs/dbraw/zinc/62/16/10/1102621610.db2.gz JJHUWAAHMLPKRG-UHFFFAOYSA-N 2 1 367.537 4.125 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000550881722 1102653542 /nfs/dbraw/zinc/65/35/42/1102653542.db2.gz BFOHWTZCDGSBII-MLGOLLRUSA-N 2 1 373.766 4.310 20 0 FIADMP COc1cnccc1[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550911168 1102685865 /nfs/dbraw/zinc/68/58/65/1102685865.db2.gz METZQHLXWRMFTM-KKXNLOMOSA-N 2 1 353.510 4.184 20 0 FIADMP C[C@H](c1cnccn1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837042 1102697179 /nfs/dbraw/zinc/69/71/79/1102697179.db2.gz YYANQLCFTMVPCB-XMSQKQJNSA-N 2 1 364.537 4.160 20 0 FIADMP CCc1cnc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664836918 1102701536 /nfs/dbraw/zinc/70/15/36/1102701536.db2.gz SCNUWVBHNASFRT-QFIPXVFZSA-N 2 1 367.537 4.360 20 0 FIADMP CCc1cnc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664836918 1102701546 /nfs/dbraw/zinc/70/15/46/1102701546.db2.gz SCNUWVBHNASFRT-QFIPXVFZSA-N 2 1 367.537 4.360 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123024520 1102740032 /nfs/dbraw/zinc/74/00/32/1102740032.db2.gz ODTVUNKWPKLNJE-NVXWUHKLSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123024520 1102740045 /nfs/dbraw/zinc/74/00/45/1102740045.db2.gz ODTVUNKWPKLNJE-NVXWUHKLSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123024520 1102740059 /nfs/dbraw/zinc/74/00/59/1102740059.db2.gz ODTVUNKWPKLNJE-NVXWUHKLSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123024520 1102740074 /nfs/dbraw/zinc/74/00/74/1102740074.db2.gz ODTVUNKWPKLNJE-NVXWUHKLSA-N 2 1 358.448 4.279 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551029728 1102808073 /nfs/dbraw/zinc/80/80/73/1102808073.db2.gz PYRFMRZCDBYEPZ-WMQCIHAUSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551029728 1102808083 /nfs/dbraw/zinc/80/80/83/1102808083.db2.gz PYRFMRZCDBYEPZ-WMQCIHAUSA-N 2 1 368.521 4.060 20 0 FIADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034752 1102824374 /nfs/dbraw/zinc/82/43/74/1102824374.db2.gz ONDWSQHSIROEJV-QDSKXPNFSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034752 1102824393 /nfs/dbraw/zinc/82/43/93/1102824393.db2.gz ONDWSQHSIROEJV-QDSKXPNFSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034752 1102824411 /nfs/dbraw/zinc/82/44/11/1102824411.db2.gz ONDWSQHSIROEJV-QDSKXPNFSA-N 2 1 365.565 4.322 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551083869 1102901494 /nfs/dbraw/zinc/90/14/94/1102901494.db2.gz OCOIKVICTUQZSB-RBQRNVLBSA-N 2 1 368.521 4.196 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551083869 1102901497 /nfs/dbraw/zinc/90/14/97/1102901497.db2.gz OCOIKVICTUQZSB-RBQRNVLBSA-N 2 1 368.521 4.196 20 0 FIADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459366340 1102930972 /nfs/dbraw/zinc/93/09/72/1102930972.db2.gz MVHPAYUEMKJDRZ-UHFFFAOYSA-N 3 1 363.549 4.132 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000459373730 1102999545 /nfs/dbraw/zinc/99/95/45/1102999545.db2.gz MYRRFJXESYCLRR-UHFFFAOYSA-N 2 1 355.570 4.168 20 0 FIADMP C[N@H+](Cc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459373730 1102999547 /nfs/dbraw/zinc/99/95/47/1102999547.db2.gz MYRRFJXESYCLRR-UHFFFAOYSA-N 3 1 355.570 4.168 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459373730 1102999554 /nfs/dbraw/zinc/99/95/54/1102999554.db2.gz MYRRFJXESYCLRR-UHFFFAOYSA-N 3 1 355.570 4.168 20 0 FIADMP C[N@H+](Cc1ccccc1CNC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459373730 1102999563 /nfs/dbraw/zinc/99/95/63/1102999563.db2.gz MYRRFJXESYCLRR-UHFFFAOYSA-N 2 1 355.570 4.168 20 0 FIADMP C[N@@H+](Cc1ccccc1CNC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459373730 1102999564 /nfs/dbraw/zinc/99/95/64/1102999564.db2.gz MYRRFJXESYCLRR-UHFFFAOYSA-N 2 1 355.570 4.168 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000551262594 1103020116 /nfs/dbraw/zinc/02/01/16/1103020116.db2.gz DEEWPQVEHMHWLA-UHFFFAOYSA-N 3 1 357.586 4.285 20 0 FIADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000551279325 1103037613 /nfs/dbraw/zinc/03/76/13/1103037613.db2.gz FGJNUWNERSXYNN-OALUTQOASA-N 2 1 371.569 4.315 20 0 FIADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000551279325 1103037627 /nfs/dbraw/zinc/03/76/27/1103037627.db2.gz FGJNUWNERSXYNN-OALUTQOASA-N 2 1 371.569 4.315 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000551278106 1103038516 /nfs/dbraw/zinc/03/85/16/1103038516.db2.gz LQDIUFMTIJIFOF-BBHUYCHWSA-N 2 1 355.570 4.036 20 0 FIADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650663 1103308076 /nfs/dbraw/zinc/30/80/76/1103308076.db2.gz CMPJZFCDBDQCAE-FCRQHZQGSA-N 2 1 353.510 4.180 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](Cc3ccccc3C)C3CC3)CCCC2)CC1 ZINC000551534800 1103336907 /nfs/dbraw/zinc/33/69/07/1103336907.db2.gz YRPKMOSZURFVOH-QHCPKHFHSA-N 2 1 370.581 4.329 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000519863491 1103912323 /nfs/dbraw/zinc/91/23/23/1103912323.db2.gz TXSFJQKDAJRARH-NHCUHLMSSA-N 2 1 354.542 4.076 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766831 1103925694 /nfs/dbraw/zinc/92/56/94/1103925694.db2.gz JFLDTOHAKYPXJK-QRQLOZEOSA-N 2 1 370.459 4.247 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766831 1103925699 /nfs/dbraw/zinc/92/56/99/1103925699.db2.gz JFLDTOHAKYPXJK-QRQLOZEOSA-N 2 1 370.459 4.247 20 0 FIADMP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461085680 1104068755 /nfs/dbraw/zinc/06/87/55/1104068755.db2.gz GEBOKSOQUFIWTK-YQVWRLOYSA-N 2 1 362.558 4.080 20 0 FIADMP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461085681 1104069535 /nfs/dbraw/zinc/06/95/35/1104069535.db2.gz GEBOKSOQUFIWTK-ZHALLVOQSA-N 2 1 362.558 4.080 20 0 FIADMP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2cccs2)n1 ZINC000538296455 1104115069 /nfs/dbraw/zinc/11/50/69/1104115069.db2.gz MWDHXAXJGAUPLG-SFHVURJKSA-N 2 1 372.582 4.237 20 0 FIADMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2cccs2)n1 ZINC000538296455 1104115077 /nfs/dbraw/zinc/11/50/77/1104115077.db2.gz MWDHXAXJGAUPLG-SFHVURJKSA-N 2 1 372.582 4.237 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000520204785 1104171074 /nfs/dbraw/zinc/17/10/74/1104171074.db2.gz HJJYIFROYASYFP-HXUWFJFHSA-N 2 1 367.537 4.405 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000520209819 1104177337 /nfs/dbraw/zinc/17/73/37/1104177337.db2.gz FRFLKMDDTBQBOL-UHFFFAOYSA-N 2 1 362.949 4.022 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000520209819 1104177338 /nfs/dbraw/zinc/17/73/38/1104177338.db2.gz FRFLKMDDTBQBOL-UHFFFAOYSA-N 2 1 362.949 4.022 20 0 FIADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441413465 1104338854 /nfs/dbraw/zinc/33/88/54/1104338854.db2.gz XOLSBLCUIFUXEX-MAUKXSAKSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441413465 1104338864 /nfs/dbraw/zinc/33/88/64/1104338864.db2.gz XOLSBLCUIFUXEX-MAUKXSAKSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441413465 1104338876 /nfs/dbraw/zinc/33/88/76/1104338876.db2.gz XOLSBLCUIFUXEX-MAUKXSAKSA-N 2 1 368.443 4.033 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000112517453 1104373067 /nfs/dbraw/zinc/37/30/67/1104373067.db2.gz MDCORCAYTLUTTC-INIZCTEOSA-N 2 1 374.912 4.032 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419873 1104382096 /nfs/dbraw/zinc/38/20/96/1104382096.db2.gz YFDRUTRGUOWKNY-BEFAXECRSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419873 1104382109 /nfs/dbraw/zinc/38/21/09/1104382109.db2.gz YFDRUTRGUOWKNY-BEFAXECRSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419873 1104382120 /nfs/dbraw/zinc/38/21/20/1104382120.db2.gz YFDRUTRGUOWKNY-BEFAXECRSA-N 2 1 368.443 4.033 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167994942 1104484849 /nfs/dbraw/zinc/48/48/49/1104484849.db2.gz QVMLZSPWPITJAB-HNYYDBCASA-N 2 1 364.537 4.312 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167994942 1104484852 /nfs/dbraw/zinc/48/48/52/1104484852.db2.gz QVMLZSPWPITJAB-HNYYDBCASA-N 2 1 364.537 4.312 20 0 FIADMP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001167994626 1104496870 /nfs/dbraw/zinc/49/68/70/1104496870.db2.gz OORIEVDADSNEOB-UHFFFAOYSA-N 2 1 360.436 4.373 20 0 FIADMP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001167994626 1104496878 /nfs/dbraw/zinc/49/68/78/1104496878.db2.gz OORIEVDADSNEOB-UHFFFAOYSA-N 2 1 360.436 4.373 20 0 FIADMP Fc1ccc(COC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995590 1104525164 /nfs/dbraw/zinc/52/51/64/1104525164.db2.gz KDKMOSJWHODATR-CBQGHPETSA-N 2 1 372.528 4.212 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303340 1104639323 /nfs/dbraw/zinc/63/93/23/1104639323.db2.gz YQRHZHKGJXJXBB-GUYCJALGSA-N 2 1 369.322 4.286 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000189274420 1104792271 /nfs/dbraw/zinc/79/22/71/1104792271.db2.gz DDSJVIPPFHBSPC-RBBKRZOGSA-N 2 1 364.537 4.063 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585519 1104904328 /nfs/dbraw/zinc/90/43/28/1104904328.db2.gz CWUFIIJVAGNIOW-AJSBUHFISA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585519 1104904330 /nfs/dbraw/zinc/90/43/30/1104904330.db2.gz CWUFIIJVAGNIOW-AJSBUHFISA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585519 1104904332 /nfs/dbraw/zinc/90/43/32/1104904332.db2.gz CWUFIIJVAGNIOW-AJSBUHFISA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585519 1104904335 /nfs/dbraw/zinc/90/43/35/1104904335.db2.gz CWUFIIJVAGNIOW-AJSBUHFISA-N 2 1 367.512 4.262 20 0 FIADMP Fc1ccc(OCC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001168004260 1105029537 /nfs/dbraw/zinc/02/95/37/1105029537.db2.gz SAJSREHWUUXMQB-CBQGHPETSA-N 2 1 372.528 4.322 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OCc2ccccc2)c1 ZINC000152366494 1105035744 /nfs/dbraw/zinc/03/57/44/1105035744.db2.gz ATLUSEQOOUXYDE-QUCCMNQESA-N 2 1 350.506 4.401 20 0 FIADMP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394578 1105075835 /nfs/dbraw/zinc/07/58/35/1105075835.db2.gz QEVKVYHOLCHCOX-QAPCUYQASA-N 2 1 353.535 4.261 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005195 1105076408 /nfs/dbraw/zinc/07/64/08/1105076408.db2.gz HUDSRRRUDKSMTR-UDKICSLYSA-N 2 1 350.506 4.021 20 0 FIADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406779 1105088303 /nfs/dbraw/zinc/08/83/03/1105088303.db2.gz AIKTVXSDKUICLE-QZTJIDSGSA-N 2 1 350.506 4.497 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623179 1105129747 /nfs/dbraw/zinc/12/97/47/1105129747.db2.gz VLAIVPYVCRTNQZ-PBHICJAKSA-N 2 1 355.448 4.332 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623179 1105129749 /nfs/dbraw/zinc/12/97/49/1105129749.db2.gz VLAIVPYVCRTNQZ-PBHICJAKSA-N 2 1 355.448 4.332 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008136 1105161959 /nfs/dbraw/zinc/16/19/59/1105161959.db2.gz CVHVMCQBACKHKZ-VTYHHJSWSA-N 2 1 351.538 4.154 20 0 FIADMP CCN(C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000665193458 1105197906 /nfs/dbraw/zinc/19/79/06/1105197906.db2.gz YIVJENNLQJZCLH-FQEVSTJZSA-N 2 1 372.557 4.009 20 0 FIADMP CCN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000665193458 1105197907 /nfs/dbraw/zinc/19/79/07/1105197907.db2.gz YIVJENNLQJZCLH-FQEVSTJZSA-N 2 1 372.557 4.009 20 0 FIADMP CCN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000665193458 1105197908 /nfs/dbraw/zinc/19/79/08/1105197908.db2.gz YIVJENNLQJZCLH-FQEVSTJZSA-N 2 1 372.557 4.009 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCOCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168010057 1105230973 /nfs/dbraw/zinc/23/09/73/1105230973.db2.gz IZZJFTKMKVWJGB-JHDGKUDLSA-N 2 1 352.522 4.234 20 0 FIADMP CCSCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507947520 1105280919 /nfs/dbraw/zinc/28/09/19/1105280919.db2.gz YUJGBSVCZGLOMF-UHFFFAOYSA-N 2 1 360.489 4.355 20 0 FIADMP CCSCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507947520 1105280923 /nfs/dbraw/zinc/28/09/23/1105280923.db2.gz YUJGBSVCZGLOMF-UHFFFAOYSA-N 2 1 360.489 4.355 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000427866786 1105303656 /nfs/dbraw/zinc/30/36/56/1105303656.db2.gz MIOPJNCBRNHOJK-YLJYHZDGSA-N 2 1 355.551 4.194 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000427866786 1105303663 /nfs/dbraw/zinc/30/36/63/1105303663.db2.gz MIOPJNCBRNHOJK-YLJYHZDGSA-N 2 1 355.551 4.194 20 0 FIADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1O ZINC000390666214 1106739154 /nfs/dbraw/zinc/73/91/54/1106739154.db2.gz QXZWSXVYJVGOQW-SEJPIABJSA-N 2 1 366.505 4.076 20 0 FIADMP CCc1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000450940443 1106827318 /nfs/dbraw/zinc/82/73/18/1106827318.db2.gz NNKPASDCCHJINV-NRFANRHFSA-N 2 1 355.526 4.060 20 0 FIADMP CCc1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000450940443 1106827337 /nfs/dbraw/zinc/82/73/37/1106827337.db2.gz NNKPASDCCHJINV-NRFANRHFSA-N 2 1 355.526 4.060 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCOC3(CCCCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064740 1106873222 /nfs/dbraw/zinc/87/32/22/1106873222.db2.gz RSADRDAJTCUHFX-VTYHHJSWSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCOC3(CCCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064740 1106873248 /nfs/dbraw/zinc/87/32/48/1106873248.db2.gz RSADRDAJTCUHFX-VTYHHJSWSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064740 1106873267 /nfs/dbraw/zinc/87/32/67/1106873267.db2.gz RSADRDAJTCUHFX-VTYHHJSWSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCOC3(CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064740 1106873290 /nfs/dbraw/zinc/87/32/90/1106873290.db2.gz RSADRDAJTCUHFX-VTYHHJSWSA-N 2 1 356.554 4.463 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978811 1106902670 /nfs/dbraw/zinc/90/26/70/1106902670.db2.gz XQTYMLUGLSPARW-KXBFYZLASA-N 2 1 364.497 4.081 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978597 1106902799 /nfs/dbraw/zinc/90/27/99/1106902799.db2.gz XQTYMLUGLSPARW-HNAYVOBHSA-N 2 1 364.497 4.081 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000192952494 1106911094 /nfs/dbraw/zinc/91/10/94/1106911094.db2.gz GEQRLAJKBFPEKR-KRWDZBQOSA-N 2 1 367.331 4.125 20 0 FIADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000530330312 1106971192 /nfs/dbraw/zinc/97/11/92/1106971192.db2.gz ATPKCPQWIOPLIX-UKRRQHHQSA-N 2 1 369.987 4.102 20 0 FIADMP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000301286503 1106980656 /nfs/dbraw/zinc/98/06/56/1106980656.db2.gz RORGGONQOSIDQL-UHFFFAOYSA-N 2 1 365.452 4.095 20 0 FIADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000301286503 1106980662 /nfs/dbraw/zinc/98/06/62/1106980662.db2.gz RORGGONQOSIDQL-UHFFFAOYSA-N 2 1 365.452 4.095 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000530460355 1107055141 /nfs/dbraw/zinc/05/51/41/1107055141.db2.gz NNYBAAMBJSHBCL-INIZCTEOSA-N 2 1 372.925 4.407 20 0 FIADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000302024278 1107262177 /nfs/dbraw/zinc/26/21/77/1107262177.db2.gz GZWYNLGFJZHRBU-UHFFFAOYSA-N 2 1 366.534 4.274 20 0 FIADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000302024278 1107262193 /nfs/dbraw/zinc/26/21/93/1107262193.db2.gz GZWYNLGFJZHRBU-UHFFFAOYSA-N 2 1 366.534 4.274 20 0 FIADMP Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000531103487 1107534237 /nfs/dbraw/zinc/53/42/37/1107534237.db2.gz DLYCAXFERKQLEG-OAQYLSRUSA-N 2 1 355.551 4.248 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000531103487 1107534249 /nfs/dbraw/zinc/53/42/49/1107534249.db2.gz DLYCAXFERKQLEG-OAQYLSRUSA-N 2 1 355.551 4.248 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000531103487 1107534262 /nfs/dbraw/zinc/53/42/62/1107534262.db2.gz DLYCAXFERKQLEG-OAQYLSRUSA-N 2 1 355.551 4.248 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000531103487 1107534281 /nfs/dbraw/zinc/53/42/81/1107534281.db2.gz DLYCAXFERKQLEG-OAQYLSRUSA-N 2 1 355.551 4.248 20 0 FIADMP Clc1ccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000655718232 1107582679 /nfs/dbraw/zinc/58/26/79/1107582679.db2.gz HIVCQQJCEJMYMZ-GOSISDBHSA-N 2 1 371.352 4.159 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000531676956 1108066550 /nfs/dbraw/zinc/06/65/50/1108066550.db2.gz XEALASLKEBXQTO-QAPCUYQASA-N 2 1 363.958 4.041 20 0 FIADMP CC[N@H+]1CC[C@H](NCc2ccc(Oc3cc(C)ccc3C)nc2)[C@@H](C)C1 ZINC000531683155 1108070487 /nfs/dbraw/zinc/07/04/87/1108070487.db2.gz XHNADAZFYWOTJY-ICSRJNTNSA-N 2 1 353.510 4.311 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@@H](C)C1 ZINC000531683155 1108070506 /nfs/dbraw/zinc/07/05/06/1108070506.db2.gz XHNADAZFYWOTJY-ICSRJNTNSA-N 2 1 353.510 4.311 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCSc1ccccc1Br ZINC000531713912 1108094307 /nfs/dbraw/zinc/09/43/07/1108094307.db2.gz VBLVQKOUDJUULH-GOEBONIOSA-N 2 1 371.388 4.251 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453059435 1108135660 /nfs/dbraw/zinc/13/56/60/1108135660.db2.gz QCMUVNPLVLYKSS-LJQANCHMSA-N 2 1 374.532 4.402 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453120104 1108188233 /nfs/dbraw/zinc/18/82/33/1108188233.db2.gz BTUPIYWGNGUODV-QTEQDKRBSA-N 2 1 351.538 4.436 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453120104 1108188240 /nfs/dbraw/zinc/18/82/40/1108188240.db2.gz BTUPIYWGNGUODV-QTEQDKRBSA-N 2 1 351.538 4.436 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453139566 1108213846 /nfs/dbraw/zinc/21/38/46/1108213846.db2.gz RSHKHQMYFOTSGS-MZKRTTBSSA-N 2 1 351.538 4.293 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453139566 1108213853 /nfs/dbraw/zinc/21/38/53/1108213853.db2.gz RSHKHQMYFOTSGS-MZKRTTBSSA-N 2 1 351.538 4.293 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178831 1108222406 /nfs/dbraw/zinc/22/24/06/1108222406.db2.gz TWKVYAPCONHUGX-MOPGFXCFSA-N 2 1 354.542 4.106 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178833 1108222536 /nfs/dbraw/zinc/22/25/36/1108222536.db2.gz TWKVYAPCONHUGX-RBUKOAKNSA-N 2 1 354.542 4.106 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453155337 1108223607 /nfs/dbraw/zinc/22/36/07/1108223607.db2.gz BASAEAOBKMMIDY-CZYKHXBRSA-N 2 1 354.538 4.121 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453197596 1108267209 /nfs/dbraw/zinc/26/72/09/1108267209.db2.gz NLIHLQDPXQGPOW-HBFSDRIKSA-N 2 1 366.553 4.391 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1nccs1 ZINC000453204120 1108273562 /nfs/dbraw/zinc/27/35/62/1108273562.db2.gz VTZSLLVIJNCCBA-GSEOLPGOSA-N 2 1 355.551 4.279 20 0 FIADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453310465 1108396817 /nfs/dbraw/zinc/39/68/17/1108396817.db2.gz QTUGEHDIVYSSFK-AQNXPRMDSA-N 2 1 355.551 4.027 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CSCCc4ccccc43)CC2)cc1 ZINC000531939548 1108415720 /nfs/dbraw/zinc/41/57/20/1108415720.db2.gz FBNKOUBRWCIPJG-HSZRJFAPSA-N 2 1 366.574 4.314 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000531951020 1108437616 /nfs/dbraw/zinc/43/76/16/1108437616.db2.gz ZIBAPACZYPKWET-MOPGFXCFSA-N 2 1 368.521 4.075 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000531951020 1108437624 /nfs/dbraw/zinc/43/76/24/1108437624.db2.gz ZIBAPACZYPKWET-MOPGFXCFSA-N 2 1 368.521 4.075 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000531956396 1108445032 /nfs/dbraw/zinc/44/50/32/1108445032.db2.gz GVHXFIUSJUPEFV-VKJFTORMSA-N 2 1 365.359 4.189 20 0 FIADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)cc(Br)c1 ZINC000453355039 1108458817 /nfs/dbraw/zinc/45/88/17/1108458817.db2.gz OMFHVRRDOIQAFV-HMQMGEFJSA-N 2 1 355.295 4.254 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000453360462 1108465197 /nfs/dbraw/zinc/46/51/97/1108465197.db2.gz FMCGADVQVQKBCM-SESVDKBCSA-N 2 1 353.510 4.017 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000453360462 1108465206 /nfs/dbraw/zinc/46/52/06/1108465206.db2.gz FMCGADVQVQKBCM-SESVDKBCSA-N 2 1 353.510 4.017 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000532193765 1108700908 /nfs/dbraw/zinc/70/09/08/1108700908.db2.gz ZNAYFBQWQDFPTE-PGRDOPGGSA-N 2 1 362.521 4.004 20 0 FIADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CCCCC2)cc1OC ZINC000532223339 1108722369 /nfs/dbraw/zinc/72/23/69/1108722369.db2.gz KCCIVBBCVYPITK-QWFCFKBJSA-N 2 1 374.569 4.224 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000524876258 1109188121 /nfs/dbraw/zinc/18/81/21/1109188121.db2.gz QUDXRJRBHHAWQT-NRFANRHFSA-N 2 1 373.585 4.012 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000524968678 1109223872 /nfs/dbraw/zinc/22/38/72/1109223872.db2.gz PUAUIWUPDXMWSO-CALCHBBNSA-N 2 1 374.500 4.373 20 0 FIADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000525002626 1109227967 /nfs/dbraw/zinc/22/79/67/1109227967.db2.gz YXQUVEMAPJXHMI-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525002626 1109227971 /nfs/dbraw/zinc/22/79/71/1109227971.db2.gz YXQUVEMAPJXHMI-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525002626 1109227974 /nfs/dbraw/zinc/22/79/74/1109227974.db2.gz YXQUVEMAPJXHMI-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(C)c1OCc1ccccn1 ZINC000508567497 1109247258 /nfs/dbraw/zinc/24/72/58/1109247258.db2.gz YQLLYHFHGCSDNK-HXUWFJFHSA-N 2 1 367.537 4.051 20 0 FIADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000508567497 1109247261 /nfs/dbraw/zinc/24/72/61/1109247261.db2.gz YQLLYHFHGCSDNK-HXUWFJFHSA-N 2 1 367.537 4.051 20 0 FIADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000508567497 1109247263 /nfs/dbraw/zinc/24/72/63/1109247263.db2.gz YQLLYHFHGCSDNK-HXUWFJFHSA-N 2 1 367.537 4.051 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749918 1109328458 /nfs/dbraw/zinc/32/84/58/1109328458.db2.gz CYJLHOQYDVBQMX-SJKOYZFVSA-N 2 1 371.750 4.485 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749918 1109328462 /nfs/dbraw/zinc/32/84/62/1109328462.db2.gz CYJLHOQYDVBQMX-SJKOYZFVSA-N 2 1 371.750 4.485 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000446806996 1109347551 /nfs/dbraw/zinc/34/75/51/1109347551.db2.gz VHNVAJFSTRSRIK-UHFFFAOYSA-N 2 1 368.924 4.036 20 0 FIADMP CCCOc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544419281 1109545693 /nfs/dbraw/zinc/54/56/93/1109545693.db2.gz AZBBBDAYOMQXBN-OALUTQOASA-N 2 1 360.542 4.097 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000447527312 1109562661 /nfs/dbraw/zinc/56/26/61/1109562661.db2.gz DRHORBHZTGSYLC-QGZVFWFLSA-N 2 1 370.493 4.149 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546301 1109575367 /nfs/dbraw/zinc/57/53/67/1109575367.db2.gz USWDOJDHIOLLCA-CIAFKFPVSA-N 2 1 369.578 4.136 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526108198 1109623513 /nfs/dbraw/zinc/62/35/13/1109623513.db2.gz ZSDIKLDKLJXOMM-YRISNDGFSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526108198 1109623516 /nfs/dbraw/zinc/62/35/16/1109623516.db2.gz ZSDIKLDKLJXOMM-YRISNDGFSA-N 2 1 354.469 4.150 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000447935781 1109682631 /nfs/dbraw/zinc/68/26/31/1109682631.db2.gz JRDRCTGQBLPENW-UWJYYQICSA-N 2 1 366.534 4.107 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000447935781 1109682634 /nfs/dbraw/zinc/68/26/34/1109682634.db2.gz JRDRCTGQBLPENW-UWJYYQICSA-N 2 1 366.534 4.107 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447935510 1109682847 /nfs/dbraw/zinc/68/28/47/1109682847.db2.gz HQGHVKKJBHCXST-FQEVSTJZSA-N 2 1 374.532 4.394 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098396 1109691684 /nfs/dbraw/zinc/69/16/84/1109691684.db2.gz GKJDUSPKFQFHOW-BLLLJJGKSA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098396 1109691687 /nfs/dbraw/zinc/69/16/87/1109691687.db2.gz GKJDUSPKFQFHOW-BLLLJJGKSA-N 2 1 359.739 4.485 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360869 1109749786 /nfs/dbraw/zinc/74/97/86/1109749786.db2.gz MKDPHSGROKCGSR-NZQKXSOJSA-N 2 1 352.522 4.346 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360869 1109749789 /nfs/dbraw/zinc/74/97/89/1109749789.db2.gz MKDPHSGROKCGSR-NZQKXSOJSA-N 2 1 352.522 4.346 20 0 FIADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000448346428 1109778809 /nfs/dbraw/zinc/77/88/09/1109778809.db2.gz YFEZIJJVQQOBLD-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000448346428 1109778812 /nfs/dbraw/zinc/77/88/12/1109778812.db2.gz YFEZIJJVQQOBLD-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP Cn1cc2ccc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)cc2n1 ZINC000527965954 1109877397 /nfs/dbraw/zinc/87/73/97/1109877397.db2.gz YVMYRKCMIQQRDI-UHFFFAOYSA-N 2 1 362.521 4.106 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449129635 1109981880 /nfs/dbraw/zinc/98/18/80/1109981880.db2.gz DACWUECBKZBSIZ-CQSZACIVSA-N 2 1 365.493 4.298 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449129635 1109981882 /nfs/dbraw/zinc/98/18/82/1109981882.db2.gz DACWUECBKZBSIZ-CQSZACIVSA-N 2 1 365.493 4.298 20 0 FIADMP Clc1ccc([C@@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000449130723 1109981960 /nfs/dbraw/zinc/98/19/60/1109981960.db2.gz HNZPTBYFXAIXJV-QUCCMNQESA-N 2 1 362.945 4.211 20 0 FIADMP COC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143886 1109984999 /nfs/dbraw/zinc/98/49/99/1109984999.db2.gz YANZVHBNWQQUNB-CVDCTZTESA-N 2 1 352.522 4.059 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C)cc3OC)CC2)cs1 ZINC000449150049 1109985987 /nfs/dbraw/zinc/98/59/87/1109985987.db2.gz PQCLKAJHDPMCGS-UHFFFAOYSA-N 2 1 373.566 4.024 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]CCc3cccc(C)c3)CC2)cs1 ZINC000449152070 1109986300 /nfs/dbraw/zinc/98/63/00/1109986300.db2.gz ZJOZQMNNTJPHFB-UHFFFAOYSA-N 2 1 357.567 4.058 20 0 FIADMP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000449161323 1109989996 /nfs/dbraw/zinc/98/99/96/1109989996.db2.gz OLJATRGTXIBMIG-UHFFFAOYSA-N 2 1 368.452 4.349 20 0 FIADMP C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235154 1109998703 /nfs/dbraw/zinc/99/87/03/1109998703.db2.gz TWUCPAZFXWOANW-JDFRZJQESA-N 2 1 352.444 4.334 20 0 FIADMP C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449235154 1109998706 /nfs/dbraw/zinc/99/87/06/1109998706.db2.gz TWUCPAZFXWOANW-JDFRZJQESA-N 2 1 352.444 4.334 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449221109 1110000758 /nfs/dbraw/zinc/00/07/58/1110000758.db2.gz SEMVHRVIZLGHIE-UHFFFAOYSA-N 2 1 368.521 4.368 20 0 FIADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449267084 1110012548 /nfs/dbraw/zinc/01/25/48/1110012548.db2.gz YGVBCUAKCBNXEI-UHFFFAOYSA-N 2 1 363.477 4.149 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC000449375207 1110046720 /nfs/dbraw/zinc/04/67/20/1110046720.db2.gz HZKWHLOMJFHQCM-KRWDZBQOSA-N 2 1 354.460 4.248 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000449619381 1110127460 /nfs/dbraw/zinc/12/74/60/1110127460.db2.gz PGVLMAIIYGCTMK-RLLPEYFOSA-N 2 1 364.533 4.441 20 0 FIADMP c1csc([C@H]2C[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCO2)c1 ZINC000449621689 1110128106 /nfs/dbraw/zinc/12/81/06/1110128106.db2.gz IISPSLSDEGQNAO-NHCUHLMSSA-N 2 1 370.562 4.265 20 0 FIADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(-n4ccnc4)cs3)C2)c1 ZINC000449755039 1110163293 /nfs/dbraw/zinc/16/32/93/1110163293.db2.gz LWUMGQFYKKWXBY-QAQDUYKDSA-N 2 1 353.491 4.320 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449792186 1110172926 /nfs/dbraw/zinc/17/29/26/1110172926.db2.gz SAYGUAWDPMTLEG-PXNSSMCTSA-N 2 1 350.934 4.067 20 0 FIADMP CC[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000450633219 1110322900 /nfs/dbraw/zinc/32/29/00/1110322900.db2.gz XVMHAXOKNSQFMW-SFHVURJKSA-N 2 1 358.357 4.014 20 0 FIADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000538406303 1111117853 /nfs/dbraw/zinc/11/78/53/1111117853.db2.gz YKLQOPDWTDHFIH-HXUWFJFHSA-N 2 1 358.570 4.368 20 0 FIADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)C1 ZINC000538551251 1111188849 /nfs/dbraw/zinc/18/88/49/1111188849.db2.gz MIAYKJCQJAQJBI-LPHOPBHVSA-N 2 1 356.510 4.037 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)C1 ZINC000538551249 1111189028 /nfs/dbraw/zinc/18/90/28/1111189028.db2.gz MIAYKJCQJAQJBI-APWZRJJASA-N 2 1 356.510 4.037 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000538750944 1111281458 /nfs/dbraw/zinc/28/14/58/1111281458.db2.gz HLUUPZUBYLMSHX-FQEVSTJZSA-N 2 1 373.566 4.051 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000538750944 1111281459 /nfs/dbraw/zinc/28/14/59/1111281459.db2.gz HLUUPZUBYLMSHX-FQEVSTJZSA-N 2 1 373.566 4.051 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000461794486 1111358577 /nfs/dbraw/zinc/35/85/77/1111358577.db2.gz GXSCATROTUREIH-CEXWTWQISA-N 2 1 365.359 4.377 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@H](C)C1 ZINC000539074631 1111419958 /nfs/dbraw/zinc/41/99/58/1111419958.db2.gz WHBDZRAYZFGESK-DNVCBOLYSA-N 2 1 362.489 4.107 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@H](C)C1 ZINC000539074631 1111419960 /nfs/dbraw/zinc/41/99/60/1111419960.db2.gz WHBDZRAYZFGESK-DNVCBOLYSA-N 2 1 362.489 4.107 20 0 FIADMP CC(C)CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccoc1 ZINC000552033603 1111451158 /nfs/dbraw/zinc/45/11/58/1111451158.db2.gz KKUFDBJWUUESBM-HSZRJFAPSA-N 2 1 369.553 4.294 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000552048406 1111557473 /nfs/dbraw/zinc/55/74/73/1111557473.db2.gz RITVLYBRTKEXFN-ARDNKUOLSA-N 2 1 356.554 4.223 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477930990 1111605644 /nfs/dbraw/zinc/60/56/44/1111605644.db2.gz BWUPZKQLKROGHO-GDKQOWJMSA-N 2 1 364.533 4.264 20 0 FIADMP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248550 1111627899 /nfs/dbraw/zinc/62/78/99/1111627899.db2.gz KXAAUUQDPLSHSN-UNMCSNQZSA-N 2 1 366.553 4.185 20 0 FIADMP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248550 1111627902 /nfs/dbraw/zinc/62/79/02/1111627902.db2.gz KXAAUUQDPLSHSN-UNMCSNQZSA-N 2 1 366.553 4.185 20 0 FIADMP CC[C@@H]1C[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC000552273260 1111654529 /nfs/dbraw/zinc/65/45/29/1111654529.db2.gz AUWLPDMXIMZCIB-FGZHOGPDSA-N 2 1 356.554 4.180 20 0 FIADMP COCCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000552325636 1111670408 /nfs/dbraw/zinc/67/04/08/1111670408.db2.gz XVSMJLLTFXMPCQ-IXIUHKBRSA-N 2 1 352.950 4.169 20 0 FIADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000432663794 1111719651 /nfs/dbraw/zinc/71/96/51/1111719651.db2.gz KQQOKSQOIQJKDZ-LJQANCHMSA-N 2 1 360.498 4.040 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479332415 1111994193 /nfs/dbraw/zinc/99/41/93/1111994193.db2.gz SZJXLXUQIMQNIN-SIKLNZKXSA-N 2 1 366.553 4.351 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479356175 1111997621 /nfs/dbraw/zinc/99/76/21/1111997621.db2.gz DVNABYOSTFMRDD-QGZVFWFLSA-N 2 1 351.332 4.245 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000479429986 1112027125 /nfs/dbraw/zinc/02/71/25/1112027125.db2.gz WGOQXTYXCBCPKL-UHFFFAOYSA-N 2 1 355.526 4.356 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465788 1112034381 /nfs/dbraw/zinc/03/43/81/1112034381.db2.gz PXPNPRJMPSYHFX-GHTZIAJQSA-N 2 1 354.469 4.151 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465788 1112034385 /nfs/dbraw/zinc/03/43/85/1112034385.db2.gz PXPNPRJMPSYHFX-GHTZIAJQSA-N 2 1 354.469 4.151 20 0 FIADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000479594769 1112087613 /nfs/dbraw/zinc/08/76/13/1112087613.db2.gz SHBAEYMBDRZNMX-UHFFFAOYSA-N 2 1 358.555 4.339 20 0 FIADMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000479671538 1112103144 /nfs/dbraw/zinc/10/31/44/1112103144.db2.gz ADISOUFLBWFFSN-UHFFFAOYSA-N 2 1 372.340 4.034 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(F)cn1 ZINC000554050887 1112176158 /nfs/dbraw/zinc/17/61/58/1112176158.db2.gz XEFBGVLFIQPEHG-DLBZAZTESA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(F)cn1 ZINC000554050887 1112176162 /nfs/dbraw/zinc/17/61/62/1112176162.db2.gz XEFBGVLFIQPEHG-DLBZAZTESA-N 2 1 371.500 4.312 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000554050137 1112177008 /nfs/dbraw/zinc/17/70/08/1112177008.db2.gz FYJNFFHIDYNRFX-ATZDWAIDSA-N 2 1 370.459 4.118 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000479899909 1112181520 /nfs/dbraw/zinc/18/15/20/1112181520.db2.gz HFJXRRPMMDWMGV-NRFANRHFSA-N 2 1 358.913 4.413 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907149 1112193276 /nfs/dbraw/zinc/19/32/76/1112193276.db2.gz AYGYFLSRBSIGDE-IAGOWNOFSA-N 2 1 358.505 4.235 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907149 1112193278 /nfs/dbraw/zinc/19/32/78/1112193278.db2.gz AYGYFLSRBSIGDE-IAGOWNOFSA-N 2 1 358.505 4.235 20 0 FIADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000479934640 1112204175 /nfs/dbraw/zinc/20/41/75/1112204175.db2.gz XVXUHIKKOKOZBX-JOCHJYFZSA-N 2 1 350.506 4.031 20 0 FIADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369451 1112320566 /nfs/dbraw/zinc/32/05/66/1112320566.db2.gz GYHBPDIQENWHAC-JENIJYKNSA-N 2 1 371.500 4.181 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000480241814 1112346586 /nfs/dbraw/zinc/34/65/86/1112346586.db2.gz OWILXPIIRQCNLH-INIZCTEOSA-N 2 1 351.519 4.395 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000480241814 1112346590 /nfs/dbraw/zinc/34/65/90/1112346590.db2.gz OWILXPIIRQCNLH-INIZCTEOSA-N 2 1 351.519 4.395 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000480276422 1112364197 /nfs/dbraw/zinc/36/41/97/1112364197.db2.gz HLKGDKDCQUGFIV-INIZCTEOSA-N 2 1 372.484 4.290 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2nccn2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000480306444 1112379437 /nfs/dbraw/zinc/37/94/37/1112379437.db2.gz HYIYWLDHEZHDID-UNMCSNQZSA-N 2 1 374.532 4.263 20 0 FIADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480552629 1112472443 /nfs/dbraw/zinc/47/24/43/1112472443.db2.gz JREOWLBGSGVITR-FQEVSTJZSA-N 2 1 369.553 4.266 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000480615901 1112502982 /nfs/dbraw/zinc/50/29/82/1112502982.db2.gz VTHIATNWBXTJCR-RTBURBONSA-N 2 1 369.557 4.047 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000480617504 1112511146 /nfs/dbraw/zinc/51/11/46/1112511146.db2.gz RJILBOWXMQLJBG-OALUTQOASA-N 2 1 374.573 4.379 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000480652898 1112530197 /nfs/dbraw/zinc/53/01/97/1112530197.db2.gz MZNWWPKTSFHFMD-UHFFFAOYSA-N 2 1 350.506 4.230 20 0 FIADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000480757682 1112589700 /nfs/dbraw/zinc/58/97/00/1112589700.db2.gz LTMRCFMMPGWCGT-UNMCSNQZSA-N 2 1 358.570 4.474 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333329 1112903739 /nfs/dbraw/zinc/90/37/39/1112903739.db2.gz SKHUQKFBBCQUAQ-IEBWSBKVSA-N 2 1 356.485 4.397 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC(C)(C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000481679819 1113023446 /nfs/dbraw/zinc/02/34/46/1113023446.db2.gz VRQRJSFXCPZCDB-OAQYLSRUSA-N 2 1 364.537 4.465 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)C1 ZINC000899874661 1113037519 /nfs/dbraw/zinc/03/75/19/1113037519.db2.gz HWLRIYZEKHLZMM-ZDUSSCGKSA-N 2 1 353.388 4.276 20 0 FIADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)C1 ZINC000899874660 1113037920 /nfs/dbraw/zinc/03/79/20/1113037920.db2.gz HWLRIYZEKHLZMM-CYBMUJFWSA-N 2 1 353.388 4.276 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000481893879 1113128851 /nfs/dbraw/zinc/12/88/51/1113128851.db2.gz NCCXOCKDIYPPHA-UHFFFAOYSA-N 2 1 370.493 4.039 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000481893879 1113128855 /nfs/dbraw/zinc/12/88/55/1113128855.db2.gz NCCXOCKDIYPPHA-UHFFFAOYSA-N 2 1 370.493 4.039 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000482166492 1113190083 /nfs/dbraw/zinc/19/00/83/1113190083.db2.gz VANNZERAVFSOLK-UFYCRDLUSA-N 2 1 359.558 4.121 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000482340826 1113230008 /nfs/dbraw/zinc/23/00/08/1113230008.db2.gz BWKLDFTVEVIRCZ-KGLIPLIRSA-N 2 1 357.311 4.359 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000482454238 1113265839 /nfs/dbraw/zinc/26/58/39/1113265839.db2.gz WZHJONFODZVXLX-PZJWPPBQSA-N 2 1 352.547 4.378 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](Cc3ccc(C)cc3)C3CC3)CCCC2)CC1 ZINC000482639285 1113317507 /nfs/dbraw/zinc/31/75/07/1113317507.db2.gz CWMYQHKMTDWQBQ-HSZRJFAPSA-N 2 1 370.581 4.329 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4ccccc4C[C@H]3C)CC2)cs1 ZINC000482866979 1113381612 /nfs/dbraw/zinc/38/16/12/1113381612.db2.gz MZTBCIUGPJFSQR-OPAMFIHVSA-N 2 1 369.578 4.441 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2cc(OC)ccc2c1 ZINC000482867870 1113382160 /nfs/dbraw/zinc/38/21/60/1113382160.db2.gz PBFAQYQXUBVXSR-JTHBVZDNSA-N 2 1 370.537 4.126 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000482882248 1113391298 /nfs/dbraw/zinc/39/12/98/1113391298.db2.gz AUNZAVKXLNXNRG-YJBOKZPZSA-N 2 1 359.341 4.271 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176231 1113457803 /nfs/dbraw/zinc/45/78/03/1113457803.db2.gz NCKTUSXZLUZQHI-YTQUADARSA-N 2 1 372.475 4.349 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176231 1113457805 /nfs/dbraw/zinc/45/78/05/1113457805.db2.gz NCKTUSXZLUZQHI-YTQUADARSA-N 2 1 372.475 4.349 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000483272529 1113472930 /nfs/dbraw/zinc/47/29/30/1113472930.db2.gz VDSBMPGCEJHAFX-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000483272529 1113472932 /nfs/dbraw/zinc/47/29/32/1113472932.db2.gz VDSBMPGCEJHAFX-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000483272529 1113472935 /nfs/dbraw/zinc/47/29/35/1113472935.db2.gz VDSBMPGCEJHAFX-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000569244746 1113485603 /nfs/dbraw/zinc/48/56/03/1113485603.db2.gz MKTKQFCSTCLZGO-OTUUDDROSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000569244746 1113485606 /nfs/dbraw/zinc/48/56/06/1113485606.db2.gz MKTKQFCSTCLZGO-OTUUDDROSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000569244746 1113485609 /nfs/dbraw/zinc/48/56/09/1113485609.db2.gz MKTKQFCSTCLZGO-OTUUDDROSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486511423 1113585056 /nfs/dbraw/zinc/58/50/56/1113585056.db2.gz ZBNHCLCLSJMNNH-RXVVDRJESA-N 2 1 360.505 4.077 20 0 FIADMP C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486511423 1113585058 /nfs/dbraw/zinc/58/50/58/1113585058.db2.gz ZBNHCLCLSJMNNH-RXVVDRJESA-N 2 1 360.505 4.077 20 0 FIADMP CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1F ZINC000486952214 1113683425 /nfs/dbraw/zinc/68/34/25/1113683425.db2.gz BFCFLHSTOHYTND-UHFFFAOYSA-N 2 1 357.404 4.147 20 0 FIADMP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCCC1)c1ccccc1 ZINC000488105745 1113855594 /nfs/dbraw/zinc/85/55/94/1113855594.db2.gz CXWCNSXYVJRYRQ-KCLUMXDGSA-N 2 1 354.538 4.197 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)c(F)c1 ZINC000489579229 1114134850 /nfs/dbraw/zinc/13/48/50/1114134850.db2.gz BRJJADANYVXJTJ-LBPRGKRZSA-N 2 1 355.295 4.113 20 0 FIADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC1CCCC1 ZINC000489879791 1114181595 /nfs/dbraw/zinc/18/15/95/1114181595.db2.gz COGWZUGXPHBEJB-UHFFFAOYSA-N 2 1 372.340 4.163 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccccc1F ZINC000490131003 1114221884 /nfs/dbraw/zinc/22/18/84/1114221884.db2.gz RNRYONGSUQFMHE-QHCPKHFHSA-N 2 1 369.528 4.204 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(c3)CCCC4)CC2)oc1C ZINC000490893224 1114347391 /nfs/dbraw/zinc/34/73/91/1114347391.db2.gz IZCWFJDREJAFQW-UHFFFAOYSA-N 2 1 367.537 4.172 20 0 FIADMP Fc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c2ncccc12 ZINC000491062743 1114368584 /nfs/dbraw/zinc/36/85/84/1114368584.db2.gz SLIDTBQNYHLTBT-GOSISDBHSA-N 2 1 355.501 4.462 20 0 FIADMP Fc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c2ncccc12 ZINC000491062743 1114368588 /nfs/dbraw/zinc/36/85/88/1114368588.db2.gz SLIDTBQNYHLTBT-GOSISDBHSA-N 2 1 355.501 4.462 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001212145023 1114417112 /nfs/dbraw/zinc/41/71/12/1114417112.db2.gz JPPCPGSLUBNEFQ-HNNXBMFYSA-N 2 1 362.861 4.304 20 0 FIADMP c1oc(-c2ccccc2)nc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571211353 1114452950 /nfs/dbraw/zinc/45/29/50/1114452950.db2.gz GGQWAKDEWVJBBD-FCHUYYIVSA-N 2 1 373.500 4.296 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1Cl ZINC000571614169 1114484910 /nfs/dbraw/zinc/48/49/10/1114484910.db2.gz VWHYNPALVOOYNI-CQSZACIVSA-N 2 1 374.916 4.075 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000589836045 1114847459 /nfs/dbraw/zinc/84/74/59/1114847459.db2.gz FJKRKWFRKHJQJK-FQEVSTJZSA-N 2 1 367.537 4.262 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000590819027 1114982999 /nfs/dbraw/zinc/98/29/99/1114982999.db2.gz ULJRRRKTFIFWLV-UHFFFAOYSA-N 2 1 363.452 4.172 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000593972880 1115364639 /nfs/dbraw/zinc/36/46/39/1115364639.db2.gz NZKZJVLSHZQBOY-JOCHJYFZSA-N 2 1 371.569 4.009 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Br)cn1 ZINC000574811642 1115496835 /nfs/dbraw/zinc/49/68/35/1115496835.db2.gz LSQUIZZYCPZDLZ-HUUCEWRRSA-N 2 1 354.336 4.007 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003183 1115748550 /nfs/dbraw/zinc/74/85/50/1115748550.db2.gz WLVAKOBPQYBWHM-UHFFFAOYSA-N 2 1 354.922 4.146 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1F ZINC000669679744 1115774359 /nfs/dbraw/zinc/77/43/59/1115774359.db2.gz VREAUEZJUMILFJ-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416101 1115841466 /nfs/dbraw/zinc/84/14/66/1115841466.db2.gz GEZQFFOPNKVQOT-DNVJHFABSA-N 2 1 352.497 4.455 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)c2O1 ZINC000606469697 1115948007 /nfs/dbraw/zinc/94/80/07/1115948007.db2.gz HGAOAFPUVMGBHI-QGZVFWFLSA-N 2 1 370.562 4.463 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)c2O1 ZINC000606469697 1115948008 /nfs/dbraw/zinc/94/80/08/1115948008.db2.gz HGAOAFPUVMGBHI-QGZVFWFLSA-N 2 1 370.562 4.463 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000607151513 1116003673 /nfs/dbraw/zinc/00/36/73/1116003673.db2.gz RFXLSMKKRVYXPV-HDICACEKSA-N 2 1 364.961 4.094 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000608058520 1116082448 /nfs/dbraw/zinc/08/24/48/1116082448.db2.gz BKBFTQBKHQEXSL-UHFFFAOYSA-N 2 1 374.484 4.477 20 0 FIADMP CC[N@@H+](Cc1nc2ccccc2nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000608510879 1116113535 /nfs/dbraw/zinc/11/35/35/1116113535.db2.gz QROFYUZXANTJNS-NRFANRHFSA-N 2 1 374.532 4.282 20 0 FIADMP CC[N@H+](Cc1nc2ccccc2nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000608510879 1116113536 /nfs/dbraw/zinc/11/35/36/1116113536.db2.gz QROFYUZXANTJNS-NRFANRHFSA-N 2 1 374.532 4.282 20 0 FIADMP CC[NH+](Cc1nc2ccccc2nc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000608510879 1116113538 /nfs/dbraw/zinc/11/35/38/1116113538.db2.gz QROFYUZXANTJNS-NRFANRHFSA-N 2 1 374.532 4.282 20 0 FIADMP CC[NH+](Cc1nc2ccccc2nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000608510879 1116113539 /nfs/dbraw/zinc/11/35/39/1116113539.db2.gz QROFYUZXANTJNS-NRFANRHFSA-N 2 1 374.532 4.282 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534059905 1116153639 /nfs/dbraw/zinc/15/36/39/1116153639.db2.gz ZFYMRLDPQQUUCC-MEDUHNTESA-N 2 1 357.723 4.021 20 0 FIADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1cc(Br)ccc1F ZINC000534220733 1116172787 /nfs/dbraw/zinc/17/27/87/1116172787.db2.gz QNZHONGGXJFTHX-UHFFFAOYSA-N 2 1 354.267 4.005 20 0 FIADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cc(Br)ccc1F ZINC000534220733 1116172788 /nfs/dbraw/zinc/17/27/88/1116172788.db2.gz QNZHONGGXJFTHX-UHFFFAOYSA-N 2 1 354.267 4.005 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000534346991 1116187250 /nfs/dbraw/zinc/18/72/50/1116187250.db2.gz NSLVKLIUXGZXCU-UHFFFAOYSA-N 2 1 360.933 4.078 20 0 FIADMP C(=C/c1ccncc1)\CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448719 1116198548 /nfs/dbraw/zinc/19/85/48/1116198548.db2.gz ASLZVEHMDPRJNX-YBSSVLDVSA-N 2 1 369.512 4.353 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000509452086 1116198740 /nfs/dbraw/zinc/19/87/40/1116198740.db2.gz KOECEJMZUNGPSC-QHCPKHFHSA-N 2 1 374.532 4.263 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000509452086 1116198741 /nfs/dbraw/zinc/19/87/41/1116198741.db2.gz KOECEJMZUNGPSC-QHCPKHFHSA-N 2 1 374.532 4.263 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000534496860 1116207759 /nfs/dbraw/zinc/20/77/59/1116207759.db2.gz INEFGZPHGHHSRU-XMSQKQJNSA-N 2 1 370.562 4.086 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000534496860 1116207760 /nfs/dbraw/zinc/20/77/60/1116207760.db2.gz INEFGZPHGHHSRU-XMSQKQJNSA-N 2 1 370.562 4.086 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793794 1116237425 /nfs/dbraw/zinc/23/74/25/1116237425.db2.gz PRHPDXBFRUDQNU-ZBEGNZNMSA-N 2 1 357.723 4.021 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509122 1116313974 /nfs/dbraw/zinc/31/39/74/1116313974.db2.gz YPCXXDFXVZXQCU-BDJLRTHQSA-N 2 1 357.723 4.021 20 0 FIADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)CC1 ZINC000539555248 1116344980 /nfs/dbraw/zinc/34/49/80/1116344980.db2.gz RCQGPBATMREYNP-JOCHJYFZSA-N 2 1 357.542 4.137 20 0 FIADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000539652010 1116358853 /nfs/dbraw/zinc/35/88/53/1116358853.db2.gz BSPZBVYVGFPSGM-QFBILLFUSA-N 2 1 356.510 4.037 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000539831492 1116388437 /nfs/dbraw/zinc/38/84/37/1116388437.db2.gz IMVZEBJJCAWQBB-XMSQKQJNSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000539831492 1116388439 /nfs/dbraw/zinc/38/84/39/1116388439.db2.gz IMVZEBJJCAWQBB-XMSQKQJNSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831492 1116388441 /nfs/dbraw/zinc/38/84/41/1116388441.db2.gz IMVZEBJJCAWQBB-XMSQKQJNSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831492 1116388443 /nfs/dbraw/zinc/38/84/43/1116388443.db2.gz IMVZEBJJCAWQBB-XMSQKQJNSA-N 2 1 350.506 4.106 20 0 FIADMP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000539895235 1117738995 /nfs/dbraw/zinc/73/89/95/1117738995.db2.gz AJLGOOCYDNTMRS-QPTUXGOLSA-N 2 1 364.533 4.346 20 0 FIADMP Cc1[nH+]c2ccc(Br)cc2c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000462784367 1117762363 /nfs/dbraw/zinc/76/23/63/1117762363.db2.gz DZHZBQHUJSJJMX-HZPDHXFCSA-N 2 1 374.326 4.075 20 0 FIADMP Cc1[nH+]c2ccc(Br)cc2c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000462784368 1117762752 /nfs/dbraw/zinc/76/27/52/1117762752.db2.gz DZHZBQHUJSJJMX-JKSUJKDBSA-N 2 1 374.326 4.075 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCc3ccsc3)CCCC2)CC1 ZINC000462795664 1117778651 /nfs/dbraw/zinc/77/86/51/1117778651.db2.gz VFBHOLNDMWWMAL-KRWDZBQOSA-N 2 1 350.572 4.082 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000462808193 1117788779 /nfs/dbraw/zinc/78/87/79/1117788779.db2.gz NZMLSRZKWZRTFV-LZNRXBQRSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000462808193 1117788783 /nfs/dbraw/zinc/78/87/83/1117788783.db2.gz NZMLSRZKWZRTFV-LZNRXBQRSA-N 2 1 350.506 4.412 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)[C@@H](C)C1 ZINC000540141166 1117893893 /nfs/dbraw/zinc/89/38/93/1117893893.db2.gz FIABDWFHQDPNLS-JTSKRJEESA-N 2 1 356.485 4.225 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152734 1117906768 /nfs/dbraw/zinc/90/67/68/1117906768.db2.gz NQLAIYROWSTSPV-PKOBYXMFSA-N 2 1 372.532 4.338 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152734 1117906770 /nfs/dbraw/zinc/90/67/70/1117906770.db2.gz NQLAIYROWSTSPV-PKOBYXMFSA-N 2 1 372.532 4.338 20 0 FIADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000540182843 1117925739 /nfs/dbraw/zinc/92/57/39/1117925739.db2.gz UBRPTUZZDQWHMR-YADHBBJMSA-N 2 1 356.554 4.256 20 0 FIADMP C[C@@H](COc1cccc(F)c1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463072614 1117957036 /nfs/dbraw/zinc/95/70/36/1117957036.db2.gz QTCBJMDDZQBACL-KRWDZBQOSA-N 2 1 374.475 4.029 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000540258266 1117961611 /nfs/dbraw/zinc/96/16/11/1117961611.db2.gz FVAUDQYNXJYROR-UZLBHIALSA-N 2 1 359.514 4.475 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262176 1117962362 /nfs/dbraw/zinc/96/23/62/1117962362.db2.gz GMXYUXYROXNBLD-KSSFIOAISA-N 2 1 351.332 4.222 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)C[C@@H]1C ZINC000463105730 1117966530 /nfs/dbraw/zinc/96/65/30/1117966530.db2.gz HCRAKCGXIWYQQO-AZUAARDMSA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@@H]1C ZINC000463105730 1117966532 /nfs/dbraw/zinc/96/65/32/1117966532.db2.gz HCRAKCGXIWYQQO-AZUAARDMSA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@@H]1C ZINC000463105730 1117966534 /nfs/dbraw/zinc/96/65/34/1117966534.db2.gz HCRAKCGXIWYQQO-AZUAARDMSA-N 2 1 356.558 4.320 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000463108977 1117968477 /nfs/dbraw/zinc/96/84/77/1117968477.db2.gz IIXRUQSWZLMBDT-RXVVDRJESA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000463108977 1117968480 /nfs/dbraw/zinc/96/84/80/1117968480.db2.gz IIXRUQSWZLMBDT-RXVVDRJESA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000463108977 1117968482 /nfs/dbraw/zinc/96/84/82/1117968482.db2.gz IIXRUQSWZLMBDT-RXVVDRJESA-N 2 1 356.558 4.177 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302133 1117975903 /nfs/dbraw/zinc/97/59/03/1117975903.db2.gz QTJWOPHLVKRZIL-HXOBKFHXSA-N 2 1 368.496 4.287 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302133 1117975906 /nfs/dbraw/zinc/97/59/06/1117975906.db2.gz QTJWOPHLVKRZIL-HXOBKFHXSA-N 2 1 368.496 4.287 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000540301465 1117976774 /nfs/dbraw/zinc/97/67/74/1117976774.db2.gz ZRUQXZBZZNPQEN-RBUKOAKNSA-N 2 1 372.475 4.229 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130733 1117978223 /nfs/dbraw/zinc/97/82/23/1117978223.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130733 1117978225 /nfs/dbraw/zinc/97/82/25/1117978225.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130733 1117978228 /nfs/dbraw/zinc/97/82/28/1117978228.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463132613 1117983386 /nfs/dbraw/zinc/98/33/86/1117983386.db2.gz SLZFKAAHHDAHAM-GMAHTHKFSA-N 3 1 357.586 4.285 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463132613 1117983388 /nfs/dbraw/zinc/98/33/88/1117983388.db2.gz SLZFKAAHHDAHAM-GMAHTHKFSA-N 3 1 357.586 4.285 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132483 1117983464 /nfs/dbraw/zinc/98/34/64/1117983464.db2.gz PFEYZVWFMJUXIX-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132483 1117983465 /nfs/dbraw/zinc/98/34/65/1117983465.db2.gz PFEYZVWFMJUXIX-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132481 1117983672 /nfs/dbraw/zinc/98/36/72/1117983672.db2.gz PFEYZVWFMJUXIX-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132481 1117983673 /nfs/dbraw/zinc/98/36/73/1117983673.db2.gz PFEYZVWFMJUXIX-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463155470 1117994309 /nfs/dbraw/zinc/99/43/09/1117994309.db2.gz IVVARILOIVDNTJ-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463155470 1117994310 /nfs/dbraw/zinc/99/43/10/1117994310.db2.gz IVVARILOIVDNTJ-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463155786 1117995159 /nfs/dbraw/zinc/99/51/59/1117995159.db2.gz PJAXBAAVRIAVDD-FXAWDEMLSA-N 2 1 356.485 4.367 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463155786 1117995162 /nfs/dbraw/zinc/99/51/62/1117995162.db2.gz PJAXBAAVRIAVDD-FXAWDEMLSA-N 2 1 356.485 4.367 20 0 FIADMP Cc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463187435 1118017413 /nfs/dbraw/zinc/01/74/13/1118017413.db2.gz BBEHYEFUVVEDBC-FQEVSTJZSA-N 2 1 352.522 4.059 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463189285 1118018269 /nfs/dbraw/zinc/01/82/69/1118018269.db2.gz GURNHMPGKMHQNR-SIKLNZKXSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463189285 1118018275 /nfs/dbraw/zinc/01/82/75/1118018275.db2.gz GURNHMPGKMHQNR-SIKLNZKXSA-N 2 1 356.554 4.369 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463205742 1118020287 /nfs/dbraw/zinc/02/02/87/1118020287.db2.gz NKAXCFLAUQPTJK-SIKLNZKXSA-N 2 1 352.522 4.189 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463205742 1118020295 /nfs/dbraw/zinc/02/02/95/1118020295.db2.gz NKAXCFLAUQPTJK-SIKLNZKXSA-N 2 1 352.522 4.189 20 0 FIADMP Cc1cccc(O[C@@H](C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463207319 1118020382 /nfs/dbraw/zinc/02/03/82/1118020382.db2.gz RYAMPVXECZCXFX-FQEVSTJZSA-N 2 1 352.522 4.059 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCC4CCOCC4)[C@@H]3C2)cc1 ZINC000463238336 1118046385 /nfs/dbraw/zinc/04/63/85/1118046385.db2.gz UJWRSKTVNQJGSC-ZRBLBEILSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463275362 1118074962 /nfs/dbraw/zinc/07/49/62/1118074962.db2.gz VHNJOXZKKDLLSW-MAUKXSAKSA-N 2 1 362.439 4.289 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463275362 1118074966 /nfs/dbraw/zinc/07/49/66/1118074966.db2.gz VHNJOXZKKDLLSW-MAUKXSAKSA-N 2 1 362.439 4.289 20 0 FIADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000540607372 1118147209 /nfs/dbraw/zinc/14/72/09/1118147209.db2.gz NPOKPLLUKIKGLJ-ZLGUVYLKSA-N 2 1 370.537 4.332 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618864 1118156220 /nfs/dbraw/zinc/15/62/20/1118156220.db2.gz ZXCIHBVKDNVOFE-SUMDDJOVSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618864 1118156223 /nfs/dbraw/zinc/15/62/23/1118156223.db2.gz ZXCIHBVKDNVOFE-SUMDDJOVSA-N 2 1 370.459 4.105 20 0 FIADMP c1cn(CCCC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)cn1 ZINC000541204453 1118422917 /nfs/dbraw/zinc/42/29/17/1118422917.db2.gz LOQQYWLXTNHSPI-UHFFFAOYSA-N 2 1 367.522 4.094 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541350260 1118482982 /nfs/dbraw/zinc/48/29/82/1118482982.db2.gz VVYFZWFVUNLSEJ-QUCCMNQESA-N 2 1 360.542 4.093 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541350260 1118482984 /nfs/dbraw/zinc/48/29/84/1118482984.db2.gz VVYFZWFVUNLSEJ-QUCCMNQESA-N 2 1 360.542 4.093 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350260 1118482987 /nfs/dbraw/zinc/48/29/87/1118482987.db2.gz VVYFZWFVUNLSEJ-QUCCMNQESA-N 2 1 360.542 4.093 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350260 1118482990 /nfs/dbraw/zinc/48/29/90/1118482990.db2.gz VVYFZWFVUNLSEJ-QUCCMNQESA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546616 1118551074 /nfs/dbraw/zinc/55/10/74/1118551074.db2.gz FZFGZLBISVOCJG-AVRDEDQJSA-N 2 1 355.501 4.412 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000541534450 1118552667 /nfs/dbraw/zinc/55/26/67/1118552667.db2.gz QGPDSSHRIFDJQD-QAPCUYQASA-N 2 1 350.441 4.093 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000541555571 1118561294 /nfs/dbraw/zinc/56/12/94/1118561294.db2.gz GTZQRONKCKNOCR-GOSISDBHSA-N 2 1 364.468 4.485 20 0 FIADMP C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602840 1118583477 /nfs/dbraw/zinc/58/34/77/1118583477.db2.gz BKNIUIWLKDUNRG-LSDHHAIUSA-N 2 1 354.897 4.101 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464779035 1118691575 /nfs/dbraw/zinc/69/15/75/1118691575.db2.gz OTZJLZVPVSRWDT-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541916098 1118707262 /nfs/dbraw/zinc/70/72/62/1118707262.db2.gz AKVPBNAXBWKNDX-BJKOFHAPSA-N 2 1 366.549 4.000 20 0 FIADMP C[N@H+](CCOc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844523 1118719550 /nfs/dbraw/zinc/71/95/50/1118719550.db2.gz AZQGXECMIOJUDS-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP C[N@@H+](CCOc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844523 1118719553 /nfs/dbraw/zinc/71/95/53/1118719553.db2.gz AZQGXECMIOJUDS-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844523 1118719555 /nfs/dbraw/zinc/71/95/55/1118719555.db2.gz AZQGXECMIOJUDS-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844523 1118719560 /nfs/dbraw/zinc/71/95/60/1118719560.db2.gz AZQGXECMIOJUDS-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)CC1 ZINC000303025960 1118770222 /nfs/dbraw/zinc/77/02/22/1118770222.db2.gz ODTPIFHJGIRHRX-GOSISDBHSA-N 2 1 352.469 4.232 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)CC1 ZINC000303025960 1118770227 /nfs/dbraw/zinc/77/02/27/1118770227.db2.gz ODTPIFHJGIRHRX-GOSISDBHSA-N 2 1 352.469 4.232 20 0 FIADMP C[C@@H]([NH2+]CCCCOc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492404597 1119087692 /nfs/dbraw/zinc/08/76/92/1119087692.db2.gz ZNKKENJBTDWIKQ-IFMALSPDSA-N 2 1 352.522 4.346 20 0 FIADMP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000177751628 1119349485 /nfs/dbraw/zinc/34/94/85/1119349485.db2.gz TVZQKTXFRJWNLF-OWCLPIDISA-N 2 1 373.566 4.220 20 0 FIADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000311072872 1119356871 /nfs/dbraw/zinc/35/68/71/1119356871.db2.gz KLIAHLOXIYVSHG-QFBILLFUSA-N 2 1 358.913 4.349 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1-c1cc(C)ccc1C ZINC000178253755 1119380670 /nfs/dbraw/zinc/38/06/70/1119380670.db2.gz IHKQNHYEVKOTDV-GOSISDBHSA-N 2 1 366.553 4.323 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000542464518 1119384833 /nfs/dbraw/zinc/38/48/33/1119384833.db2.gz YWBCBDUHMDLMPW-UHFFFAOYSA-N 2 1 360.383 4.227 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000542464518 1119384837 /nfs/dbraw/zinc/38/48/37/1119384837.db2.gz YWBCBDUHMDLMPW-UHFFFAOYSA-N 2 1 360.383 4.227 20 0 FIADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000178375985 1119387106 /nfs/dbraw/zinc/38/71/06/1119387106.db2.gz PMPLKHMQEJVQJX-JOCHJYFZSA-N 2 1 350.506 4.031 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771337 1119389016 /nfs/dbraw/zinc/38/90/16/1119389016.db2.gz GOFACDYYTCHQQF-HCLVMJGWSA-N 2 1 350.506 4.183 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311807396 1119390012 /nfs/dbraw/zinc/39/00/12/1119390012.db2.gz LHQQEMSQCKHTJH-ILWGZMRPSA-N 2 1 356.554 4.369 20 0 FIADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000178439860 1119390390 /nfs/dbraw/zinc/39/03/90/1119390390.db2.gz ANSFIOFGRPHYPO-KRWDZBQOSA-N 2 1 354.542 4.344 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311858860 1119393053 /nfs/dbraw/zinc/39/30/53/1119393053.db2.gz XFPPEIXYHHSJSV-SFHVURJKSA-N 2 1 364.411 4.197 20 0 FIADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890648 1119393899 /nfs/dbraw/zinc/39/38/99/1119393899.db2.gz DEAUDQNNPMULBG-XXBNENTESA-N 2 1 350.506 4.184 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493884486 1119503222 /nfs/dbraw/zinc/50/32/22/1119503222.db2.gz YEJCEYWWTCUQKI-KVJIRVJXSA-N 2 1 354.538 4.108 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542477010 1119623080 /nfs/dbraw/zinc/62/30/80/1119623080.db2.gz AVUMZDCPNXEHDQ-PGRDOPGGSA-N 2 1 355.501 4.412 20 0 FIADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000186138937 1119708215 /nfs/dbraw/zinc/70/82/15/1119708215.db2.gz MJAZGQJRAYLJLE-GJZGRUSLSA-N 2 1 350.553 4.381 20 0 FIADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000186138937 1119708222 /nfs/dbraw/zinc/70/82/22/1119708222.db2.gz MJAZGQJRAYLJLE-GJZGRUSLSA-N 2 1 350.553 4.381 20 0 FIADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000542484504 1119905614 /nfs/dbraw/zinc/90/56/14/1119905614.db2.gz HIPXXFPBPOTRDC-OPAMFIHVSA-N 2 1 362.477 4.167 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000195133621 1120120214 /nfs/dbraw/zinc/12/02/14/1120120214.db2.gz ZYHVIROFDURBMO-GHTZIAJQSA-N 2 1 368.546 4.344 20 0 FIADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139656 1120120466 /nfs/dbraw/zinc/12/04/66/1120120466.db2.gz IXRMNANMJYPRGC-ROUUACIJSA-N 2 1 355.551 4.195 20 0 FIADMP CCO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000193428199 1120142391 /nfs/dbraw/zinc/14/23/91/1120142391.db2.gz JUKCEEBCAXOYNV-QHCPKHFHSA-N 2 1 352.522 4.061 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194025851 1120232969 /nfs/dbraw/zinc/23/29/69/1120232969.db2.gz FQCBONVAYYCZEY-BELGNNRLSA-N 2 1 362.315 4.126 20 0 FIADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000648737731 1120417737 /nfs/dbraw/zinc/41/77/37/1120417737.db2.gz FPXQZFNRPRDDPX-QZTJIDSGSA-N 2 1 368.525 4.410 20 0 FIADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000648737731 1120417738 /nfs/dbraw/zinc/41/77/38/1120417738.db2.gz FPXQZFNRPRDDPX-QZTJIDSGSA-N 2 1 368.525 4.410 20 0 FIADMP COC[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000670160980 1120763421 /nfs/dbraw/zinc/76/34/21/1120763421.db2.gz ITWZZECWBUEZBN-VUQUMOFBSA-N 2 1 362.945 4.269 20 0 FIADMP COC[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000670160979 1120763708 /nfs/dbraw/zinc/76/37/08/1120763708.db2.gz ITWZZECWBUEZBN-QQFYDIPVSA-N 2 1 362.945 4.269 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000495415298 1120793429 /nfs/dbraw/zinc/79/34/29/1120793429.db2.gz OURXFFLZHVTRKJ-IRFCIJBXSA-N 2 1 351.538 4.314 20 0 FIADMP CC(C)(C)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000495420878 1120807469 /nfs/dbraw/zinc/80/74/69/1120807469.db2.gz LUQJQRCEBIMARI-UHFFFAOYSA-N 2 1 367.537 4.056 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000495438868 1120823864 /nfs/dbraw/zinc/82/38/64/1120823864.db2.gz JDVARZFWOKBHOZ-AYOQOUSVSA-N 2 1 355.551 4.329 20 0 FIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000236836974 1120970278 /nfs/dbraw/zinc/97/02/78/1120970278.db2.gz QYXLITLWTLXMME-OAHLLOKOSA-N 2 1 355.507 4.378 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000236836974 1120970279 /nfs/dbraw/zinc/97/02/79/1120970279.db2.gz QYXLITLWTLXMME-OAHLLOKOSA-N 2 1 355.507 4.378 20 0 FIADMP C[C@@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)C[NH+]1CCCC1 ZINC000237402027 1120977086 /nfs/dbraw/zinc/97/70/86/1120977086.db2.gz UBNHAURDDQMKBG-IBGZPJMESA-N 2 1 366.553 4.047 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000237734028 1120983036 /nfs/dbraw/zinc/98/30/36/1120983036.db2.gz RZTXXURKYBLTCG-UHFFFAOYSA-N 2 1 356.432 4.472 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000542666282 1121024944 /nfs/dbraw/zinc/02/49/44/1121024944.db2.gz WZBMGDCOGVFYBU-GCJKJVERSA-N 2 1 370.924 4.074 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000542666284 1121025415 /nfs/dbraw/zinc/02/54/15/1121025415.db2.gz WZBMGDCOGVFYBU-PGRDOPGGSA-N 2 1 370.924 4.074 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763410963 1121580064 /nfs/dbraw/zinc/58/00/64/1121580064.db2.gz PRQMQCOFHUADGC-FUKQBSRTSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763410963 1121580070 /nfs/dbraw/zinc/58/00/70/1121580070.db2.gz PRQMQCOFHUADGC-FUKQBSRTSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763411972 1121580755 /nfs/dbraw/zinc/58/07/55/1121580755.db2.gz CKHWTIWTTRGGLU-UMGGQSCQSA-N 2 1 358.551 4.203 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763411972 1121580760 /nfs/dbraw/zinc/58/07/60/1121580760.db2.gz CKHWTIWTTRGGLU-UMGGQSCQSA-N 2 1 358.551 4.203 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@@H+]1C ZINC000123993701 1121653125 /nfs/dbraw/zinc/65/31/25/1121653125.db2.gz AYQUNHLQSPFETO-QUCCMNQESA-N 2 1 365.521 4.097 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000123993701 1121653129 /nfs/dbraw/zinc/65/31/29/1121653129.db2.gz AYQUNHLQSPFETO-QUCCMNQESA-N 2 1 365.521 4.097 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993701 1121653132 /nfs/dbraw/zinc/65/31/32/1121653132.db2.gz AYQUNHLQSPFETO-QUCCMNQESA-N 2 1 365.521 4.097 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993701 1121653135 /nfs/dbraw/zinc/65/31/35/1121653135.db2.gz AYQUNHLQSPFETO-QUCCMNQESA-N 2 1 365.521 4.097 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccccc3C3CC3)CC2)oc1C ZINC001649090634 1121717478 /nfs/dbraw/zinc/71/74/78/1121717478.db2.gz IUQXKVZYRXCPDV-UHFFFAOYSA-N 2 1 353.510 4.171 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000125189628 1121754735 /nfs/dbraw/zinc/75/47/35/1121754735.db2.gz AKCZBPAPVJQGFF-IRXDYDNUSA-N 2 1 352.478 4.292 20 0 FIADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(-c2ccccc2)cc1OC ZINC000067507185 1121780667 /nfs/dbraw/zinc/78/06/67/1121780667.db2.gz HMCALRVYYGOICY-GOSISDBHSA-N 2 1 368.521 4.191 20 0 FIADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)O[C@H](C)C2 ZINC000067668236 1121788136 /nfs/dbraw/zinc/78/81/36/1121788136.db2.gz LXBBCEDRPPVRJG-QGZVFWFLSA-N 2 1 368.521 4.149 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2COc3ccc(F)cc32)CC1 ZINC000671761000 1121793337 /nfs/dbraw/zinc/79/33/37/1121793337.db2.gz XYWLULCRBNWRBP-GRERDSQWSA-N 2 1 354.469 4.292 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000125802360 1121841564 /nfs/dbraw/zinc/84/15/64/1121841564.db2.gz HHPSNINGHSDYAY-SFHVURJKSA-N 2 1 363.977 4.014 20 0 FIADMP Fc1ccccc1COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000073381240 1121928910 /nfs/dbraw/zinc/92/89/10/1121928910.db2.gz UXWUTRIEZFSAGU-UHFFFAOYSA-N 2 1 354.469 4.121 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000917008224 1122000090 /nfs/dbraw/zinc/00/00/90/1122000090.db2.gz HKXZEZNXUSBREA-AOMKIAJQSA-N 2 1 374.475 4.162 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cc(OC)c1OC ZINC000127452820 1122100391 /nfs/dbraw/zinc/10/03/91/1122100391.db2.gz RKNFEZFDHFLZRW-MRXNPFEDSA-N 2 1 364.530 4.018 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc(OC)c1OC ZINC000127452820 1122100393 /nfs/dbraw/zinc/10/03/93/1122100393.db2.gz RKNFEZFDHFLZRW-MRXNPFEDSA-N 2 1 364.530 4.018 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1 ZINC000765812764 1122104263 /nfs/dbraw/zinc/10/42/63/1122104263.db2.gz YWNHZXRSKKMZJN-VFNWGFHPSA-N 2 1 369.896 4.392 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148657 1122197358 /nfs/dbraw/zinc/19/73/58/1122197358.db2.gz MMROEJMQVDPKEK-WMZOPIPTSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148657 1122197364 /nfs/dbraw/zinc/19/73/64/1122197364.db2.gz MMROEJMQVDPKEK-WMZOPIPTSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148657 1122197369 /nfs/dbraw/zinc/19/73/69/1122197369.db2.gz MMROEJMQVDPKEK-WMZOPIPTSA-N 2 1 374.916 4.054 20 0 FIADMP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542693569 1122289322 /nfs/dbraw/zinc/28/93/22/1122289322.db2.gz JVPIFISCNOFNHN-FFJFPXHCSA-N 2 1 356.460 4.478 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000069668815 1122649158 /nfs/dbraw/zinc/64/91/58/1122649158.db2.gz ABKUUTMJZGALRL-UHFFFAOYSA-N 2 1 360.933 4.107 20 0 FIADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000069669766 1122649769 /nfs/dbraw/zinc/64/97/69/1122649769.db2.gz UHDJICJPNXPZKQ-JOCHJYFZSA-N 2 1 350.462 4.099 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556173914 1122714749 /nfs/dbraw/zinc/71/47/49/1122714749.db2.gz DBCPIRCVRVXDAQ-AFXVXQJMSA-N 2 1 368.496 4.471 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556173914 1122714753 /nfs/dbraw/zinc/71/47/53/1122714753.db2.gz DBCPIRCVRVXDAQ-AFXVXQJMSA-N 2 1 368.496 4.471 20 0 FIADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763430823 1122744964 /nfs/dbraw/zinc/74/49/64/1122744964.db2.gz FMMUPHAUSXCQPG-AVRDEDQJSA-N 2 1 362.533 4.144 20 0 FIADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230587 1122757249 /nfs/dbraw/zinc/75/72/49/1122757249.db2.gz OUFMFCHCHOHKOT-VXKWHMMOSA-N 2 1 370.581 4.474 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@@H]2CCCC[C@H]2O)CC1 ZINC000556263528 1122773141 /nfs/dbraw/zinc/77/31/41/1122773141.db2.gz ZMPNRNZFPOYXLP-SCZRWQTQSA-N 2 1 358.570 4.351 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436494 1122795840 /nfs/dbraw/zinc/79/58/40/1122795840.db2.gz VQEBVLVFWZGUQG-OXJNMPFZSA-N 2 1 361.530 4.481 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436494 1122795841 /nfs/dbraw/zinc/79/58/41/1122795841.db2.gz VQEBVLVFWZGUQG-OXJNMPFZSA-N 2 1 361.530 4.481 20 0 FIADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130563800 1122872054 /nfs/dbraw/zinc/87/20/54/1122872054.db2.gz XEFOIQBSRNPTFH-SJORKVTESA-N 2 1 356.514 4.054 20 0 FIADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130563800 1122872063 /nfs/dbraw/zinc/87/20/63/1122872063.db2.gz XEFOIQBSRNPTFH-SJORKVTESA-N 2 1 356.514 4.054 20 0 FIADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000498809949 1123024513 /nfs/dbraw/zinc/02/45/13/1123024513.db2.gz KSDCORYCLKHNJG-NNMXDRDESA-N 2 1 370.537 4.487 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@H]2CCC[C@H]21 ZINC000556869707 1123150757 /nfs/dbraw/zinc/15/07/57/1123150757.db2.gz ANBHXMBKESMCKQ-FUPPJEDESA-N 2 1 374.532 4.047 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H]2CCC[C@H]21 ZINC000556869902 1123153112 /nfs/dbraw/zinc/15/31/12/1123153112.db2.gz DAOWEFUOAKGFJA-AKHDSKFASA-N 2 1 350.453 4.128 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556890732 1123176414 /nfs/dbraw/zinc/17/64/14/1123176414.db2.gz VMCZYFFMKBSXIF-FGTMMUONSA-N 2 1 360.542 4.316 20 0 FIADMP CCC[N@H+](Cc1ccc(CC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000556901968 1123184441 /nfs/dbraw/zinc/18/44/41/1123184441.db2.gz WYNMHGKGPRIEER-UHFFFAOYSA-N 2 1 356.514 4.130 20 0 FIADMP CCC[N@@H+](Cc1ccc(CC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000556901968 1123184443 /nfs/dbraw/zinc/18/44/43/1123184443.db2.gz WYNMHGKGPRIEER-UHFFFAOYSA-N 2 1 356.514 4.130 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@H]1c1ccccc1 ZINC000515075762 1123207977 /nfs/dbraw/zinc/20/79/77/1123207977.db2.gz JVYBVUGBJKIVKF-QUCCMNQESA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@H]1c1ccccc1 ZINC000515075762 1123207980 /nfs/dbraw/zinc/20/79/80/1123207980.db2.gz JVYBVUGBJKIVKF-QUCCMNQESA-N 2 1 360.448 4.256 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2n[nH]cc2c1 ZINC000556921683 1123230642 /nfs/dbraw/zinc/23/06/42/1123230642.db2.gz QZWZJBAEDVBDMP-INIZCTEOSA-N 2 1 366.484 4.060 20 0 FIADMP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925945 1123237221 /nfs/dbraw/zinc/23/72/21/1123237221.db2.gz OEGLLRBMLAGMHK-RDJZCZTQSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925945 1123237225 /nfs/dbraw/zinc/23/72/25/1123237225.db2.gz OEGLLRBMLAGMHK-RDJZCZTQSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925945 1123237227 /nfs/dbraw/zinc/23/72/27/1123237227.db2.gz OEGLLRBMLAGMHK-RDJZCZTQSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925945 1123237230 /nfs/dbraw/zinc/23/72/30/1123237230.db2.gz OEGLLRBMLAGMHK-RDJZCZTQSA-N 2 1 365.359 4.216 20 0 FIADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000132339701 1123245000 /nfs/dbraw/zinc/24/50/00/1123245000.db2.gz GNWBFUUVTOANQK-SFHVURJKSA-N 2 1 355.551 4.337 20 0 FIADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C ZINC000499144489 1123285694 /nfs/dbraw/zinc/28/56/94/1123285694.db2.gz DINVWEVKFXWUFR-KOUNCHBCSA-N 2 1 350.506 4.289 20 0 FIADMP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158121 1123297907 /nfs/dbraw/zinc/29/79/07/1123297907.db2.gz RSQKKRXQADZBKE-FUBOCBINSA-N 2 1 356.554 4.367 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499196133 1123315347 /nfs/dbraw/zinc/31/53/47/1123315347.db2.gz RGVQFYGICYSSBU-SRYPRDQNSA-N 2 1 362.517 4.468 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000074223243 1123316609 /nfs/dbraw/zinc/31/66/09/1123316609.db2.gz SHMSNQMJROAGTF-GOSISDBHSA-N 2 1 368.525 4.267 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000074223243 1123316615 /nfs/dbraw/zinc/31/66/15/1123316615.db2.gz SHMSNQMJROAGTF-GOSISDBHSA-N 2 1 368.525 4.267 20 0 FIADMP Fc1ccc(F)c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499237893 1123349601 /nfs/dbraw/zinc/34/96/01/1123349601.db2.gz PIMTWJLRYXSLFT-WKCHPHFGSA-N 2 1 356.460 4.293 20 0 FIADMP Cc1cc2cc([C@@H](C)[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)oc2cc1C ZINC000132820514 1123365402 /nfs/dbraw/zinc/36/54/02/1123365402.db2.gz HGTBRPPSYVWPDA-QZTJIDSGSA-N 2 1 356.510 4.201 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133060702 1123407298 /nfs/dbraw/zinc/40/72/98/1123407298.db2.gz JMRCCCWNSOZUAN-INIZCTEOSA-N 2 1 352.404 4.053 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCSc1ccccc1Br ZINC000133458352 1123489376 /nfs/dbraw/zinc/48/93/76/1123489376.db2.gz VBLVQKOUDJUULH-ZBFHGGJFSA-N 2 1 371.388 4.251 20 0 FIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000077417547 1123676552 /nfs/dbraw/zinc/67/65/52/1123676552.db2.gz JSCCPPKAQUONQR-LJQANCHMSA-N 2 1 374.960 4.023 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000077417547 1123676557 /nfs/dbraw/zinc/67/65/57/1123676557.db2.gz JSCCPPKAQUONQR-LJQANCHMSA-N 2 1 374.960 4.023 20 0 FIADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000615238994 1123958702 /nfs/dbraw/zinc/95/87/02/1123958702.db2.gz WUPSCSPPYPVFST-UHFFFAOYSA-N 2 1 369.509 4.026 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000081094937 1123983840 /nfs/dbraw/zinc/98/38/40/1123983840.db2.gz ZDSXSJDVIZYNHR-XMSQKQJNSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000081094937 1123983841 /nfs/dbraw/zinc/98/38/41/1123983841.db2.gz ZDSXSJDVIZYNHR-XMSQKQJNSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000081094937 1123983843 /nfs/dbraw/zinc/98/38/43/1123983843.db2.gz ZDSXSJDVIZYNHR-XMSQKQJNSA-N 2 1 365.521 4.101 20 0 FIADMP C[C@@H](CC[N@H+]1CCSC2(CCC2)CC1)[NH+]1CCSC2(CCC2)CC1 ZINC000411868471 1124042041 /nfs/dbraw/zinc/04/20/41/1124042041.db2.gz KQSLEGISMRJBGC-SFHVURJKSA-N 2 1 368.656 4.488 20 0 FIADMP C[C@@H](CC[NH+]1CCSC2(CCC2)CC1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868471 1124042045 /nfs/dbraw/zinc/04/20/45/1124042045.db2.gz KQSLEGISMRJBGC-SFHVURJKSA-N 2 1 368.656 4.488 20 0 FIADMP C[C@@H](CC[NH+]1CCSC2(CCC2)CC1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411868471 1124042051 /nfs/dbraw/zinc/04/20/51/1124042051.db2.gz KQSLEGISMRJBGC-SFHVURJKSA-N 2 1 368.656 4.488 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000245612351 1124141231 /nfs/dbraw/zinc/14/12/31/1124141231.db2.gz JWXOKLWDAQWERD-RBUKOAKNSA-N 2 1 352.522 4.262 20 0 FIADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000245642358 1124158678 /nfs/dbraw/zinc/15/86/78/1124158678.db2.gz BAMXELQTADKEFA-ACDBMABISA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000245642358 1124158683 /nfs/dbraw/zinc/15/86/83/1124158683.db2.gz BAMXELQTADKEFA-ACDBMABISA-N 2 1 354.469 4.120 20 0 FIADMP CCc1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000245642227 1124159300 /nfs/dbraw/zinc/15/93/00/1124159300.db2.gz AYAZYWJMWITUIC-LDLYASANSA-N 2 1 355.551 4.033 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677427 1124186430 /nfs/dbraw/zinc/18/64/30/1124186430.db2.gz IGNLUJIJNRJWKI-ADHNFCLRSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677427 1124186432 /nfs/dbraw/zinc/18/64/32/1124186432.db2.gz IGNLUJIJNRJWKI-ADHNFCLRSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677427 1124186435 /nfs/dbraw/zinc/18/64/35/1124186435.db2.gz IGNLUJIJNRJWKI-ADHNFCLRSA-N 2 1 355.570 4.036 20 0 FIADMP COCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000245680379 1124193060 /nfs/dbraw/zinc/19/30/60/1124193060.db2.gz IRZHZBPTCOZEOS-DKUWSORSSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000616026161 1124205360 /nfs/dbraw/zinc/20/53/60/1124205360.db2.gz RBZYNDVXVNFSQB-IYBDPMFKSA-N 2 1 360.933 4.188 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000616026161 1124205363 /nfs/dbraw/zinc/20/53/63/1124205363.db2.gz RBZYNDVXVNFSQB-IYBDPMFKSA-N 2 1 360.933 4.188 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754501 1124241482 /nfs/dbraw/zinc/24/14/82/1124241482.db2.gz UPDBWZHKOGZTQE-WOZUAGRISA-N 2 1 369.578 4.136 20 0 FIADMP C[NH+](C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765557 1124244690 /nfs/dbraw/zinc/24/46/90/1124244690.db2.gz WHPKHKIYVVWLNO-JLLPCOHGSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765557 1124244692 /nfs/dbraw/zinc/24/46/92/1124244692.db2.gz WHPKHKIYVVWLNO-JLLPCOHGSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765557 1124244696 /nfs/dbraw/zinc/24/46/96/1124244696.db2.gz WHPKHKIYVVWLNO-JLLPCOHGSA-N 2 1 363.549 4.075 20 0 FIADMP c1cnn(-c2ccccc2C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245777309 1124247425 /nfs/dbraw/zinc/24/74/25/1124247425.db2.gz YJZCHDJWLHXEFN-NUNAXRQHSA-N 2 1 372.516 4.158 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000542840818 1124435198 /nfs/dbraw/zinc/43/51/98/1124435198.db2.gz WUUBJNMUFKHMKS-GOSISDBHSA-N 2 1 358.913 4.303 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000542840818 1124435201 /nfs/dbraw/zinc/43/52/01/1124435201.db2.gz WUUBJNMUFKHMKS-GOSISDBHSA-N 2 1 358.913 4.303 20 0 FIADMP CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000542846870 1124446894 /nfs/dbraw/zinc/44/68/94/1124446894.db2.gz OBFFACOVUNWAMK-DVECYGJZSA-N 2 1 366.549 4.303 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246378841 1124476988 /nfs/dbraw/zinc/47/69/88/1124476988.db2.gz JXFBYJMUEAABCV-FFZOFVMBSA-N 2 1 356.510 4.160 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000246809935 1124562489 /nfs/dbraw/zinc/56/24/89/1124562489.db2.gz AOFTYYZYLNDLAT-WOJBJXKFSA-N 2 1 354.542 4.237 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000246844018 1124566738 /nfs/dbraw/zinc/56/67/38/1124566738.db2.gz CGWVNQMMIFGUCT-BXWFABGCSA-N 2 1 370.484 4.076 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nnn1-c1ccc(F)cc1 ZINC000246923350 1124574568 /nfs/dbraw/zinc/57/45/68/1124574568.db2.gz GUXGGSVBTACXTD-SJORKVTESA-N 2 1 373.520 4.020 20 0 FIADMP c1ccc(COc2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000247064218 1124587063 /nfs/dbraw/zinc/58/70/63/1124587063.db2.gz VOEXDOOKSFIQEU-VXKWHMMOSA-N 2 1 350.506 4.025 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)s1 ZINC000247103714 1124589936 /nfs/dbraw/zinc/58/99/36/1124589936.db2.gz QCJWAKZEUMPQDT-LSDHHAIUSA-N 2 1 364.942 4.473 20 0 FIADMP CC(C)n1ncc2cc(CN3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cnc21 ZINC000247115783 1124592812 /nfs/dbraw/zinc/59/28/12/1124592812.db2.gz YNPGLJAHBBXFRH-OALUTQOASA-N 2 1 369.557 4.099 20 0 FIADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247174162 1124596307 /nfs/dbraw/zinc/59/63/07/1124596307.db2.gz UTWLIKHPOMFSFM-HOTGVXAUSA-N 2 1 373.566 4.085 20 0 FIADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247174162 1124596315 /nfs/dbraw/zinc/59/63/15/1124596315.db2.gz UTWLIKHPOMFSFM-HOTGVXAUSA-N 2 1 373.566 4.085 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)[C@@H](C)C1 ZINC000247210225 1124599279 /nfs/dbraw/zinc/59/92/79/1124599279.db2.gz WWLOOGLMVXMHPQ-WMZHIEFXSA-N 2 1 352.522 4.223 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000247957054 1124734015 /nfs/dbraw/zinc/73/40/15/1124734015.db2.gz FRBRNFXSXMRKSB-WMZOPIPTSA-N 2 1 368.974 4.094 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000247971799 1124735295 /nfs/dbraw/zinc/73/52/95/1124735295.db2.gz HKIYKLDEBJUXKO-GRDNDAEWSA-N 2 1 359.539 4.260 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1 ZINC000247971799 1124735299 /nfs/dbraw/zinc/73/52/99/1124735299.db2.gz HKIYKLDEBJUXKO-GRDNDAEWSA-N 2 1 359.539 4.260 20 0 FIADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248001221 1124737207 /nfs/dbraw/zinc/73/72/07/1124737207.db2.gz KKMHAEVLYACEAZ-MJGOQNOKSA-N 2 1 350.572 4.075 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)[C@H](C)C1 ZINC000247999976 1124737370 /nfs/dbraw/zinc/73/73/70/1124737370.db2.gz KIEZGZWTGNLMSX-GIVPXCGWSA-N 2 1 372.553 4.160 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)[C@H](C)C1 ZINC000247999976 1124737374 /nfs/dbraw/zinc/73/73/74/1124737374.db2.gz KIEZGZWTGNLMSX-GIVPXCGWSA-N 2 1 372.553 4.160 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc2ccccc21 ZINC000248437163 1124768461 /nfs/dbraw/zinc/76/84/61/1124768461.db2.gz GWTAOGLTLTXCNI-XMSQKQJNSA-N 2 1 360.501 4.257 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168678344 1124768978 /nfs/dbraw/zinc/76/89/78/1124768978.db2.gz VOIGMRFGKOYVKD-RBBKRZOGSA-N 2 1 360.542 4.112 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248444576 1124769014 /nfs/dbraw/zinc/76/90/14/1124769014.db2.gz MCUJVEFVEGGJNU-JPYJTQIMSA-N 2 1 352.522 4.057 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000248739046 1124808622 /nfs/dbraw/zinc/80/86/22/1124808622.db2.gz PQUFWWGVJLYTOD-SCQOQHIRSA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000248739046 1124808629 /nfs/dbraw/zinc/80/86/29/1124808629.db2.gz PQUFWWGVJLYTOD-SCQOQHIRSA-N 2 1 360.567 4.068 20 0 FIADMP CC(C)c1nc([C@@H](C)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cs1 ZINC000249033968 1124837166 /nfs/dbraw/zinc/83/71/66/1124837166.db2.gz SZLLWKLNWFMRTQ-DLBZAZTESA-N 2 1 373.566 4.338 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000249193777 1124849986 /nfs/dbraw/zinc/84/99/86/1124849986.db2.gz PJFVJUOWVKYLQJ-JTSKRJEESA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000249193777 1124849989 /nfs/dbraw/zinc/84/99/89/1124849989.db2.gz PJFVJUOWVKYLQJ-JTSKRJEESA-N 2 1 356.485 4.287 20 0 FIADMP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000089695978 1124928465 /nfs/dbraw/zinc/92/84/65/1124928465.db2.gz MRZYOKLTNGDNGM-PIGZYNQJSA-N 2 1 369.734 4.164 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090523662 1125001540 /nfs/dbraw/zinc/00/15/40/1125001540.db2.gz QQPVVNUPXDFGNO-XHSDSOJGSA-N 2 1 356.963 4.210 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091285174 1125062026 /nfs/dbraw/zinc/06/20/26/1125062026.db2.gz GKWLQOKOPVHIAJ-QFIPXVFZSA-N 2 1 361.549 4.064 20 0 FIADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000672617570 1125203820 /nfs/dbraw/zinc/20/38/20/1125203820.db2.gz CASHCGXHORVRMS-HXUWFJFHSA-N 2 1 350.934 4.150 20 0 FIADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000092739416 1125240185 /nfs/dbraw/zinc/24/01/85/1125240185.db2.gz YCHFQNXGYDPEEW-IXDOHACOSA-N 2 1 367.603 4.049 20 0 FIADMP CC(C)c1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092821001 1125244856 /nfs/dbraw/zinc/24/48/56/1125244856.db2.gz DJHBBMZBTIKUHL-UHFFFAOYSA-N 2 1 358.555 4.400 20 0 FIADMP CC(C)c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092821001 1125244864 /nfs/dbraw/zinc/24/48/64/1125244864.db2.gz DJHBBMZBTIKUHL-UHFFFAOYSA-N 2 1 358.555 4.400 20 0 FIADMP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)nc1 ZINC000093564183 1125439419 /nfs/dbraw/zinc/43/94/19/1125439419.db2.gz OMQQQZVWUQCXRC-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)nc1 ZINC000093564183 1125439421 /nfs/dbraw/zinc/43/94/21/1125439421.db2.gz OMQQQZVWUQCXRC-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000521431713 568047720 /nfs/dbraw/zinc/04/77/20/568047720.db2.gz MSWXIJIEHAMRBR-IBGZPJMESA-N 2 1 365.606 4.000 20 0 FIADMP c1ccc(C[NH+]2CCC([C@@H]3CCCCC[N@H+]3Cc3cnccn3)CC2)cc1 ZINC000563117494 568220531 /nfs/dbraw/zinc/22/05/31/568220531.db2.gz YQSREXDQUOIXJO-QHCPKHFHSA-N 2 1 364.537 4.133 20 0 FIADMP CC[C@H](C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000563136706 568270130 /nfs/dbraw/zinc/27/01/30/568270130.db2.gz NHZVWTYOCFQUEL-CTNGQTDRSA-N 2 1 366.553 4.041 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000604418259 568276254 /nfs/dbraw/zinc/27/62/54/568276254.db2.gz NZWMTEKFNOFWCZ-SIKLNZKXSA-N 2 1 370.537 4.482 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000604418259 568276256 /nfs/dbraw/zinc/27/62/56/568276256.db2.gz NZWMTEKFNOFWCZ-SIKLNZKXSA-N 2 1 370.537 4.482 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626550 719049772 /nfs/dbraw/zinc/04/97/72/719049772.db2.gz SFSRJCSAZXRSOW-RXVVDRJESA-N 2 1 355.913 4.049 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626550 719049775 /nfs/dbraw/zinc/04/97/75/719049775.db2.gz SFSRJCSAZXRSOW-RXVVDRJESA-N 2 1 355.913 4.049 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000579744267 1079607542 /nfs/dbraw/zinc/60/75/42/1079607542.db2.gz YGCGUXVJAZVIFV-MCIONIFRSA-N 2 1 371.388 4.251 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@H](C)C1 ZINC000153280110 1125769236 /nfs/dbraw/zinc/76/92/36/1125769236.db2.gz WQYDDIMIJWYYKE-AYOQOUSVSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@H](C)C1 ZINC000153280110 1125769239 /nfs/dbraw/zinc/76/92/39/1125769239.db2.gz WQYDDIMIJWYYKE-AYOQOUSVSA-N 2 1 366.546 4.089 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000530460150 1079732052 /nfs/dbraw/zinc/73/20/52/1079732052.db2.gz JGGGJNCLSAJCKX-ZWKOTPCHSA-N 2 1 351.416 4.297 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000683159348 1079747497 /nfs/dbraw/zinc/74/74/97/1079747497.db2.gz MQFHOZHGQVSVGN-IRLDBZIGSA-N 2 1 364.533 4.054 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000683159354 1079747662 /nfs/dbraw/zinc/74/76/62/1079747662.db2.gz MQFHOZHGQVSVGN-UNMCSNQZSA-N 2 1 364.533 4.054 20 0 FIADMP CC[N@@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC001167063837 1079893929 /nfs/dbraw/zinc/89/39/29/1079893929.db2.gz VBPGXGIKWPGCJQ-UPVQGACJSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC001167063837 1079893941 /nfs/dbraw/zinc/89/39/41/1079893941.db2.gz VBPGXGIKWPGCJQ-UPVQGACJSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC001167063837 1079893955 /nfs/dbraw/zinc/89/39/55/1079893955.db2.gz VBPGXGIKWPGCJQ-UPVQGACJSA-N 2 1 366.549 4.261 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430218225 1080005281 /nfs/dbraw/zinc/00/52/81/1080005281.db2.gz IXMZMDXDUFSIMR-KRWDZBQOSA-N 2 1 366.278 4.320 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430218225 1080005289 /nfs/dbraw/zinc/00/52/89/1080005289.db2.gz IXMZMDXDUFSIMR-KRWDZBQOSA-N 2 1 366.278 4.320 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430218417 1080005765 /nfs/dbraw/zinc/00/57/65/1080005765.db2.gz LPMZZZFJVSHIEI-SFHVURJKSA-N 2 1 362.315 4.490 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430218417 1080005773 /nfs/dbraw/zinc/00/57/73/1080005773.db2.gz LPMZZZFJVSHIEI-SFHVURJKSA-N 2 1 362.315 4.490 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCC(c2ccccc2)CC1 ZINC000547743961 1080374047 /nfs/dbraw/zinc/37/40/47/1080374047.db2.gz DBHUTXHPHSIVKV-BPQOJPLISA-N 2 1 356.554 4.144 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180110420 1080449052 /nfs/dbraw/zinc/44/90/52/1080449052.db2.gz JQMILCOEVPWARA-DEOSSOPVSA-N 2 1 365.565 4.092 20 0 FIADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1sc2ccccc2c1Br ZINC001206811579 1080504081 /nfs/dbraw/zinc/50/40/81/1080504081.db2.gz WDZPAMGOGCHWIG-NWDGAFQWSA-N 2 1 353.329 4.223 20 0 FIADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Br ZINC001206811579 1080504083 /nfs/dbraw/zinc/50/40/83/1080504083.db2.gz WDZPAMGOGCHWIG-NWDGAFQWSA-N 2 1 353.329 4.223 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000017314077 1080526666 /nfs/dbraw/zinc/52/66/66/1080526666.db2.gz TXUAWFPSUDWXKZ-UHFFFAOYSA-N 2 1 374.532 4.340 20 0 FIADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1 ZINC001167130082 1080659894 /nfs/dbraw/zinc/65/98/94/1080659894.db2.gz DJCRFJAIHRNFLW-GOSISDBHSA-N 2 1 356.485 4.241 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccc(F)cc1 ZINC001167130082 1080659898 /nfs/dbraw/zinc/65/98/98/1080659898.db2.gz DJCRFJAIHRNFLW-GOSISDBHSA-N 2 1 356.485 4.241 20 0 FIADMP CN(C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCCCO1 ZINC001167137555 1080677079 /nfs/dbraw/zinc/67/70/79/1080677079.db2.gz AMWNCJCNPFFPEC-RPWUZVMVSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137555 1080677080 /nfs/dbraw/zinc/67/70/80/1080677080.db2.gz AMWNCJCNPFFPEC-RPWUZVMVSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137555 1080677082 /nfs/dbraw/zinc/67/70/82/1080677082.db2.gz AMWNCJCNPFFPEC-RPWUZVMVSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCCCO1 ZINC001167137555 1080677084 /nfs/dbraw/zinc/67/70/84/1080677084.db2.gz AMWNCJCNPFFPEC-RPWUZVMVSA-N 2 1 366.549 4.403 20 0 FIADMP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000089725041 1080686769 /nfs/dbraw/zinc/68/67/69/1080686769.db2.gz DLKNBZWQJYKNHO-NRFANRHFSA-N 2 1 355.526 4.254 20 0 FIADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321113 1080805715 /nfs/dbraw/zinc/80/57/15/1080805715.db2.gz JTSHCPRVKMSUGD-QFBILLFUSA-N 2 1 365.443 4.217 20 0 FIADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321113 1080805722 /nfs/dbraw/zinc/80/57/22/1080805722.db2.gz JTSHCPRVKMSUGD-QFBILLFUSA-N 2 1 365.443 4.217 20 0 FIADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCCCC2)cc1 ZINC000655708488 1081132945 /nfs/dbraw/zinc/13/29/45/1081132945.db2.gz QSQNBXSKKADCCW-QFIPXVFZSA-N 2 1 356.554 4.122 20 0 FIADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCCCC2)cc1 ZINC000655708487 1081133454 /nfs/dbraw/zinc/13/34/54/1081133454.db2.gz QSQNBXSKKADCCW-JOCHJYFZSA-N 2 1 356.554 4.122 20 0 FIADMP Clc1ccc(-c2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655708414 1081133482 /nfs/dbraw/zinc/13/34/82/1081133482.db2.gz NNTURKIWEZTNOE-OAQYLSRUSA-N 2 1 370.924 4.350 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC001648816584 1081237288 /nfs/dbraw/zinc/23/72/88/1081237288.db2.gz APADOGLXEPPCHM-LJQANCHMSA-N 2 1 353.510 4.476 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CCCc1c[nH+]cn1C)[C@@H](c1ccccc1)C2 ZINC000579968473 1081293202 /nfs/dbraw/zinc/29/32/02/1081293202.db2.gz ASYWDECPZZJQDU-HSZRJFAPSA-N 2 1 361.489 4.161 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CCCc1c[nH+]cn1C)[C@@H](c1ccccc1)C2 ZINC000579968473 1081293206 /nfs/dbraw/zinc/29/32/06/1081293206.db2.gz ASYWDECPZZJQDU-HSZRJFAPSA-N 2 1 361.489 4.161 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001167321932 1081381909 /nfs/dbraw/zinc/38/19/09/1081381909.db2.gz LXNXEASYMKFIDG-UHFFFAOYSA-N 2 1 360.542 4.194 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000580315328 1081834982 /nfs/dbraw/zinc/83/49/82/1081834982.db2.gz COQPSPCVPFXZLE-QFBILLFUSA-N 2 1 367.518 4.184 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312782662 1081841486 /nfs/dbraw/zinc/84/14/86/1081841486.db2.gz ASJLKICJBLSYOD-GHTZIAJQSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000569331161 1081903697 /nfs/dbraw/zinc/90/36/97/1081903697.db2.gz IVKRVUOBFZCBJG-KRWDZBQOSA-N 2 1 368.525 4.203 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]3C2)cc1 ZINC000312889946 1081993635 /nfs/dbraw/zinc/99/36/35/1081993635.db2.gz HZIJYRRZICEWCR-FCHUYYIVSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@H]3C2)cc1 ZINC000312889946 1081993637 /nfs/dbraw/zinc/99/36/37/1081993637.db2.gz HZIJYRRZICEWCR-FCHUYYIVSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@H]3C2)cc1 ZINC000312889946 1081993639 /nfs/dbraw/zinc/99/36/39/1081993639.db2.gz HZIJYRRZICEWCR-FCHUYYIVSA-N 2 1 357.501 4.189 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925159 1082033310 /nfs/dbraw/zinc/03/33/10/1082033310.db2.gz DGQGDHZGSIEBPU-WSTZPKSXSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925159 1082033314 /nfs/dbraw/zinc/03/33/14/1082033314.db2.gz DGQGDHZGSIEBPU-WSTZPKSXSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312930605 1082047854 /nfs/dbraw/zinc/04/78/54/1082047854.db2.gz DYEVDFIELPYJCI-WSTZPKSXSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312930605 1082047859 /nfs/dbraw/zinc/04/78/59/1082047859.db2.gz DYEVDFIELPYJCI-WSTZPKSXSA-N 2 1 368.521 4.265 20 0 FIADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000312947840 1082073798 /nfs/dbraw/zinc/07/37/98/1082073798.db2.gz QZMBDGYXPOJGPR-HXUWFJFHSA-N 2 1 366.553 4.166 20 0 FIADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000312947840 1082073806 /nfs/dbraw/zinc/07/38/06/1082073806.db2.gz QZMBDGYXPOJGPR-HXUWFJFHSA-N 2 1 366.553 4.166 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)cn1 ZINC000580749362 1082120546 /nfs/dbraw/zinc/12/05/46/1082120546.db2.gz YKAMISSRJBZNIV-OAHLLOKOSA-N 2 1 374.326 4.291 20 0 FIADMP CCC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)C1CC[NH2+]CC1 ZINC000580952473 1082246378 /nfs/dbraw/zinc/24/63/78/1082246378.db2.gz GGJHROBZMADINA-UHFFFAOYSA-N 2 1 374.550 4.300 20 0 FIADMP FC(F)(F)CCCN1CCC[C@@]2(CCC[N@@H+](C[C@H]3CCCCO3)C2)C1 ZINC001279475220 1082254808 /nfs/dbraw/zinc/25/48/08/1082254808.db2.gz XUVPNVGURDMGSA-QZTJIDSGSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001279475220 1082254815 /nfs/dbraw/zinc/25/48/15/1082254815.db2.gz XUVPNVGURDMGSA-QZTJIDSGSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001279475220 1082254823 /nfs/dbraw/zinc/25/48/23/1082254823.db2.gz XUVPNVGURDMGSA-QZTJIDSGSA-N 2 1 362.480 4.076 20 0 FIADMP C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155452 1082390872 /nfs/dbraw/zinc/39/08/72/1082390872.db2.gz GJXIFIJBSRRMAA-FPOVZHCZSA-N 2 1 352.522 4.344 20 0 FIADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000581250453 1082405885 /nfs/dbraw/zinc/40/58/85/1082405885.db2.gz HDIFEWSQFAYDGE-KRWDZBQOSA-N 2 1 366.534 4.032 20 0 FIADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000581250453 1082405891 /nfs/dbraw/zinc/40/58/91/1082405891.db2.gz HDIFEWSQFAYDGE-KRWDZBQOSA-N 2 1 366.534 4.032 20 0 FIADMP CC[N@H+](CCC1CCN(c2cc[nH+]cc2Br)CC1)CC1CC1 ZINC000548162418 1082522689 /nfs/dbraw/zinc/52/26/89/1082522689.db2.gz VBJKIJNNCDRKAR-UHFFFAOYSA-N 2 1 366.347 4.183 20 0 FIADMP CC[N@@H+](CCC1CCN(c2cc[nH+]cc2Br)CC1)CC1CC1 ZINC000548162418 1082522694 /nfs/dbraw/zinc/52/26/94/1082522694.db2.gz VBJKIJNNCDRKAR-UHFFFAOYSA-N 2 1 366.347 4.183 20 0 FIADMP Cn1ncc2ccc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)cc21 ZINC000581641356 1082740632 /nfs/dbraw/zinc/74/06/32/1082740632.db2.gz YROVJUKETQSBTR-UHFFFAOYSA-N 2 1 362.521 4.106 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)cc1C ZINC000430634305 1082779492 /nfs/dbraw/zinc/77/94/92/1082779492.db2.gz DGRGPWQLKUBKAN-UHFFFAOYSA-N 2 1 360.505 4.079 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cncc(Br)c1 ZINC000581678616 1082794677 /nfs/dbraw/zinc/79/46/77/1082794677.db2.gz VCEHMDLUNXBOEM-CABCVRRESA-N 2 1 354.336 4.007 20 0 FIADMP C[C@H](N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cnccc1N ZINC000581878664 1082951699 /nfs/dbraw/zinc/95/16/99/1082951699.db2.gz XKZYVJFRALDDPS-SJCJKPOMSA-N 2 1 368.481 4.485 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC23CC3)cc1 ZINC000647196891 1083002944 /nfs/dbraw/zinc/00/29/44/1083002944.db2.gz RHXNPEYSLKKMOW-DXBBTUNJSA-N 2 1 366.549 4.121 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC23CC3)cc1 ZINC000647196891 1083002951 /nfs/dbraw/zinc/00/29/51/1083002951.db2.gz RHXNPEYSLKKMOW-DXBBTUNJSA-N 2 1 366.549 4.121 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@H](C)C1 ZINC000430758017 1083146664 /nfs/dbraw/zinc/14/66/64/1083146664.db2.gz YHQTVEOAHDYVQP-SCFUHWHPSA-N 2 1 369.322 4.154 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000430815318 1083188262 /nfs/dbraw/zinc/18/82/62/1083188262.db2.gz PGOQBBQKIAADSL-XXBNENTESA-N 2 1 364.533 4.149 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000430815318 1083188265 /nfs/dbraw/zinc/18/82/65/1083188265.db2.gz PGOQBBQKIAADSL-XXBNENTESA-N 2 1 364.533 4.149 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815318 1083188268 /nfs/dbraw/zinc/18/82/68/1083188268.db2.gz PGOQBBQKIAADSL-XXBNENTESA-N 2 1 364.533 4.149 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815318 1083188271 /nfs/dbraw/zinc/18/82/71/1083188271.db2.gz PGOQBBQKIAADSL-XXBNENTESA-N 2 1 364.533 4.149 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000510703538 1083247287 /nfs/dbraw/zinc/24/72/87/1083247287.db2.gz OKAFFCMBBXIINR-IRXDYDNUSA-N 2 1 350.934 4.270 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000430950838 1083250868 /nfs/dbraw/zinc/25/08/68/1083250868.db2.gz JDQKSCBCRUAIJX-XMMPIXPASA-N 2 1 369.597 4.192 20 0 FIADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000430950838 1083250871 /nfs/dbraw/zinc/25/08/71/1083250871.db2.gz JDQKSCBCRUAIJX-XMMPIXPASA-N 3 1 369.597 4.192 20 0 FIADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000430950838 1083250875 /nfs/dbraw/zinc/25/08/75/1083250875.db2.gz JDQKSCBCRUAIJX-XMMPIXPASA-N 3 1 369.597 4.192 20 0 FIADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)C1(C)C ZINC001167493450 1083270110 /nfs/dbraw/zinc/27/01/10/1083270110.db2.gz YUYHXTVSDICIIE-VWNXMTODSA-N 2 1 372.597 4.467 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000510755988 1083294162 /nfs/dbraw/zinc/29/41/62/1083294162.db2.gz YBCJJTCTYQCYMR-WWMYMODYSA-N 2 1 368.512 4.013 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510830988 1083334489 /nfs/dbraw/zinc/33/44/89/1083334489.db2.gz BYNQOGQXJYCBFJ-IBGZPJMESA-N 2 1 371.569 4.055 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510830988 1083334491 /nfs/dbraw/zinc/33/44/91/1083334491.db2.gz BYNQOGQXJYCBFJ-IBGZPJMESA-N 2 1 371.569 4.055 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510830988 1083334495 /nfs/dbraw/zinc/33/44/95/1083334495.db2.gz BYNQOGQXJYCBFJ-IBGZPJMESA-N 2 1 371.569 4.055 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000431095279 1083336259 /nfs/dbraw/zinc/33/62/59/1083336259.db2.gz USUWWBVIOHJOOC-HNNXBMFYSA-N 2 1 358.482 4.067 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253551 1083366504 /nfs/dbraw/zinc/36/65/04/1083366504.db2.gz FZBFSQDMFIJSQN-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253551 1083366517 /nfs/dbraw/zinc/36/65/17/1083366517.db2.gz FZBFSQDMFIJSQN-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253551 1083366526 /nfs/dbraw/zinc/36/65/26/1083366526.db2.gz FZBFSQDMFIJSQN-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000658234532 1083375514 /nfs/dbraw/zinc/37/55/14/1083375514.db2.gz AUBIUZJJHDWUSK-HXOBKFHXSA-N 2 1 350.506 4.065 20 0 FIADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317932 1083404527 /nfs/dbraw/zinc/40/45/27/1083404527.db2.gz NZKLWAFMQJTBKB-FPOVZHCZSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317932 1083404532 /nfs/dbraw/zinc/40/45/32/1083404532.db2.gz NZKLWAFMQJTBKB-FPOVZHCZSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317932 1083404536 /nfs/dbraw/zinc/40/45/36/1083404536.db2.gz NZKLWAFMQJTBKB-FPOVZHCZSA-N 2 1 374.532 4.287 20 0 FIADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318666 1083406912 /nfs/dbraw/zinc/40/69/12/1083406912.db2.gz RTAAYXDWVARCHR-FKBYEOEOSA-N 2 1 356.554 4.084 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318723 1083406979 /nfs/dbraw/zinc/40/69/79/1083406979.db2.gz SJLVZDQOFSVSEW-YADHBBJMSA-N 2 1 361.533 4.351 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCc3cccnc3CC2)C[N@H+]1Cc1ccccc1 ZINC000421836282 1083432676 /nfs/dbraw/zinc/43/26/76/1083432676.db2.gz ODSQKONXIQMAAG-LSWJPFSZSA-N 2 1 363.549 4.219 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000548485806 1083480553 /nfs/dbraw/zinc/48/05/53/1083480553.db2.gz KEMFEWITUYQIQJ-LZNRXBQRSA-N 2 1 366.505 4.019 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000548485806 1083480558 /nfs/dbraw/zinc/48/05/58/1083480558.db2.gz KEMFEWITUYQIQJ-LZNRXBQRSA-N 2 1 366.505 4.019 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000510945993 1083524575 /nfs/dbraw/zinc/52/45/75/1083524575.db2.gz OHUADEPYJCPWNK-UHFFFAOYSA-N 2 1 369.459 4.303 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000510958068 1083537432 /nfs/dbraw/zinc/53/74/32/1083537432.db2.gz KKJOOYWTWJZAPG-ONGXBYRLSA-N 2 1 360.517 4.454 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnc5ccccc5n4)[C@H]3C2)cc1 ZINC000628237570 1083598262 /nfs/dbraw/zinc/59/82/62/1083598262.db2.gz RJCUKLFUVOMPNG-ILWGZMRPSA-N 2 1 372.516 4.020 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnc5ccccc5n4)[C@H]3C2)cc1 ZINC000628237570 1083598271 /nfs/dbraw/zinc/59/82/71/1083598271.db2.gz RJCUKLFUVOMPNG-ILWGZMRPSA-N 2 1 372.516 4.020 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808371 1083694255 /nfs/dbraw/zinc/69/42/55/1083694255.db2.gz BHNLZLRMDYRGGZ-KDOFPFPSSA-N 2 1 367.320 4.185 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808371 1083694260 /nfs/dbraw/zinc/69/42/60/1083694260.db2.gz BHNLZLRMDYRGGZ-KDOFPFPSSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808371 1083694265 /nfs/dbraw/zinc/69/42/65/1083694265.db2.gz BHNLZLRMDYRGGZ-KDOFPFPSSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808371 1083694270 /nfs/dbraw/zinc/69/42/70/1083694270.db2.gz BHNLZLRMDYRGGZ-KDOFPFPSSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC([C@@H]2CCN(c3cc[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000535914210 1083993466 /nfs/dbraw/zinc/99/34/66/1083993466.db2.gz LTYHTUXIKUDTJX-OAHLLOKOSA-N 2 1 374.326 4.165 20 0 FIADMP Fc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000657299933 1084313154 /nfs/dbraw/zinc/31/31/54/1084313154.db2.gz CKFOWIDESHFRPU-UHFFFAOYSA-N 2 1 364.411 4.313 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000657306980 1084369850 /nfs/dbraw/zinc/36/98/50/1084369850.db2.gz FMFJFGJSYGVJNG-INIZCTEOSA-N 2 1 372.459 4.118 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000657306980 1084369863 /nfs/dbraw/zinc/36/98/63/1084369863.db2.gz FMFJFGJSYGVJNG-INIZCTEOSA-N 2 1 372.459 4.118 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414066607 1084413435 /nfs/dbraw/zinc/41/34/35/1084413435.db2.gz IHGIZHURMILQJZ-QRVBRYPASA-N 2 1 366.553 4.158 20 0 FIADMP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000511052428 1084416999 /nfs/dbraw/zinc/41/69/99/1084416999.db2.gz UZLCUECAAOHOEM-OAQYLSRUSA-N 2 1 353.441 4.109 20 0 FIADMP CCCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000657314068 1084454861 /nfs/dbraw/zinc/45/48/61/1084454861.db2.gz RANORTNQXIRPEN-KDURUIRLSA-N 2 1 354.542 4.061 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414115704 1084606217 /nfs/dbraw/zinc/60/62/17/1084606217.db2.gz NIYRILOJGHRSSO-MJGOQNOKSA-N 2 1 350.934 4.067 20 0 FIADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000414124198 1084628319 /nfs/dbraw/zinc/62/83/19/1084628319.db2.gz PFJNXIAUQOBHIJ-UYAOXDASSA-N 2 1 362.945 4.211 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414129963 1084647958 /nfs/dbraw/zinc/64/79/58/1084647958.db2.gz VQKIMRWPMDCVJX-IEBWSBKVSA-N 2 1 350.934 4.067 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121854 1084669855 /nfs/dbraw/zinc/66/98/55/1084669855.db2.gz MICSLDLWLNYRGA-VQIMIIECSA-N 2 1 355.551 4.342 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121854 1084669864 /nfs/dbraw/zinc/66/98/64/1084669864.db2.gz MICSLDLWLNYRGA-VQIMIIECSA-N 2 1 355.551 4.342 20 0 FIADMP C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156911 1084714930 /nfs/dbraw/zinc/71/49/30/1084714930.db2.gz VOKDCMKQYFTFFG-MXPIYFSTSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccn(C)n1 ZINC000414156911 1084714937 /nfs/dbraw/zinc/71/49/37/1084714937.db2.gz VOKDCMKQYFTFFG-MXPIYFSTSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156911 1084714943 /nfs/dbraw/zinc/71/49/43/1084714943.db2.gz VOKDCMKQYFTFFG-MXPIYFSTSA-N 2 1 372.944 4.338 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000613491088 1084819910 /nfs/dbraw/zinc/81/99/10/1084819910.db2.gz FKZKVTMTDHGZCI-UHFFFAOYSA-N 2 1 359.489 4.425 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000613492768 1084826650 /nfs/dbraw/zinc/82/66/50/1084826650.db2.gz OQJAZYWSCHGGIR-UHFFFAOYSA-N 2 1 366.933 4.055 20 0 FIADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657384834 1084838572 /nfs/dbraw/zinc/83/85/72/1084838572.db2.gz QVHPYVSYAHUSPI-UHFFFAOYSA-N 2 1 366.347 4.039 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486966 1085062969 /nfs/dbraw/zinc/06/29/69/1085062969.db2.gz UOVFVNVFTKNFAY-UXHICEINSA-N 2 1 354.494 4.144 20 0 FIADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135048 1085170631 /nfs/dbraw/zinc/17/06/31/1085170631.db2.gz DNWIBHJOZHITIW-WMZOPIPTSA-N 2 1 364.530 4.018 20 0 FIADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135048 1085170632 /nfs/dbraw/zinc/17/06/32/1085170632.db2.gz DNWIBHJOZHITIW-WMZOPIPTSA-N 2 1 364.530 4.018 20 0 FIADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cnc5ccccc5n4)C3)CC2)cc1 ZINC000660621826 1085175237 /nfs/dbraw/zinc/17/52/37/1085175237.db2.gz BXVJALOHRFJWNY-UHFFFAOYSA-N 2 1 372.516 4.118 20 0 FIADMP c1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)onc1C1CC1 ZINC000660622570 1085183484 /nfs/dbraw/zinc/18/34/84/1085183484.db2.gz GNYNLUUJPQCAOW-UHFFFAOYSA-N 2 1 351.494 4.040 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)c1 ZINC000651706012 1085391523 /nfs/dbraw/zinc/39/15/23/1085391523.db2.gz PACZUEPLDHKDCU-UHFFFAOYSA-N 2 1 362.521 4.231 20 0 FIADMP C[N@@H+](CCCC[NH2+]Cc1cc2cc(Br)ccc2o1)C1CC1 ZINC000563438328 1085402242 /nfs/dbraw/zinc/40/22/42/1085402242.db2.gz AGESNEYDMXQIOO-UHFFFAOYSA-N 2 1 351.288 4.159 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758841 1085456059 /nfs/dbraw/zinc/45/60/59/1085456059.db2.gz PMUFHOYCQNOUIF-UYAOXDASSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000651758841 1085456062 /nfs/dbraw/zinc/45/60/62/1085456062.db2.gz PMUFHOYCQNOUIF-UYAOXDASSA-N 2 1 366.553 4.232 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)C[C@H](C)O1 ZINC000432229680 1085691351 /nfs/dbraw/zinc/69/13/51/1085691351.db2.gz TXCRPMJIDSNDOH-BETUJISGSA-N 2 1 363.304 4.112 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000164479850 1085763282 /nfs/dbraw/zinc/76/32/82/1085763282.db2.gz GHOCCWXMWCGQTC-HNNXBMFYSA-N 2 1 358.555 4.429 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000121498385 1085966534 /nfs/dbraw/zinc/96/65/34/1085966534.db2.gz DUQIOJREXKEVCD-NEPJUHHUSA-N 2 1 357.832 4.433 20 0 FIADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663097535 1085990395 /nfs/dbraw/zinc/99/03/95/1085990395.db2.gz YRSQGVWJRRFIFW-QFIPXVFZSA-N 2 1 352.526 4.052 20 0 FIADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162240360 1086014566 /nfs/dbraw/zinc/01/45/66/1086014566.db2.gz ZEWJBIUYACNWDY-CQSZACIVSA-N 2 1 373.570 4.301 20 0 FIADMP Fc1ccccc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648671 1086033611 /nfs/dbraw/zinc/03/36/11/1086033611.db2.gz WKMYBUQSKPHJDD-FYYLOGMGSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648671 1086033624 /nfs/dbraw/zinc/03/36/24/1086033624.db2.gz WKMYBUQSKPHJDD-FYYLOGMGSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167648671 1086033637 /nfs/dbraw/zinc/03/36/37/1086033637.db2.gz WKMYBUQSKPHJDD-FYYLOGMGSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167648671 1086033649 /nfs/dbraw/zinc/03/36/49/1086033649.db2.gz WKMYBUQSKPHJDD-FYYLOGMGSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648746 1086034946 /nfs/dbraw/zinc/03/49/46/1086034946.db2.gz XPGDIAVHBJREIG-NFBKMPQASA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648746 1086034957 /nfs/dbraw/zinc/03/49/57/1086034957.db2.gz XPGDIAVHBJREIG-NFBKMPQASA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC001167648746 1086034967 /nfs/dbraw/zinc/03/49/67/1086034967.db2.gz XPGDIAVHBJREIG-NFBKMPQASA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1F ZINC001167648746 1086034978 /nfs/dbraw/zinc/03/49/78/1086034978.db2.gz XPGDIAVHBJREIG-NFBKMPQASA-N 2 1 370.487 4.494 20 0 FIADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063420 1086130388 /nfs/dbraw/zinc/13/03/88/1086130388.db2.gz SQKIQLDLPRJDCW-KNQAVFIVSA-N 2 1 350.506 4.184 20 0 FIADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000428271637 1086187202 /nfs/dbraw/zinc/18/72/02/1086187202.db2.gz ONRSKOYFJRMIMC-INIZCTEOSA-N 2 1 368.506 4.014 20 0 FIADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000428271637 1086187218 /nfs/dbraw/zinc/18/72/18/1086187218.db2.gz ONRSKOYFJRMIMC-INIZCTEOSA-N 2 1 368.506 4.014 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)C1 ZINC000628203536 1086199446 /nfs/dbraw/zinc/19/94/46/1086199446.db2.gz MEFYQTYPTDLTRN-CALCHBBNSA-N 2 1 353.510 4.320 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)C1 ZINC000628203536 1086199454 /nfs/dbraw/zinc/19/94/54/1086199454.db2.gz MEFYQTYPTDLTRN-CALCHBBNSA-N 2 1 353.510 4.320 20 0 FIADMP c1ccc(C(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000150762539 1086246057 /nfs/dbraw/zinc/24/60/57/1086246057.db2.gz ZCNZBOCWEMNTRM-OAQYLSRUSA-N 2 1 364.533 4.210 20 0 FIADMP c1ccc(C(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000150762539 1086246066 /nfs/dbraw/zinc/24/60/66/1086246066.db2.gz ZCNZBOCWEMNTRM-OAQYLSRUSA-N 2 1 364.533 4.210 20 0 FIADMP C[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1cccc(Cl)c1 ZINC000188262358 1086282203 /nfs/dbraw/zinc/28/22/03/1086282203.db2.gz RUBTZNQZTATELL-KRWDZBQOSA-N 2 1 350.934 4.068 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216743 1086421159 /nfs/dbraw/zinc/42/11/59/1086421159.db2.gz DEYNLNZMJRFERH-HCUBDLJJSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216743 1086421163 /nfs/dbraw/zinc/42/11/63/1086421163.db2.gz DEYNLNZMJRFERH-HCUBDLJJSA-N 2 1 366.549 4.041 20 0 FIADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC001143524026 1086449226 /nfs/dbraw/zinc/44/92/26/1086449226.db2.gz AFWKVBDHCZBDHU-UHFFFAOYSA-N 2 1 358.448 4.410 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC001143524026 1086449235 /nfs/dbraw/zinc/44/92/35/1086449235.db2.gz AFWKVBDHCZBDHU-UHFFFAOYSA-N 2 1 358.448 4.410 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(F)cc(F)c3)CC2)oc1C ZINC000162757467 1086464628 /nfs/dbraw/zinc/46/46/28/1086464628.db2.gz LTMIQKLWLVUJSF-CQSZACIVSA-N 2 1 363.452 4.132 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC1 ZINC000663466637 1086567437 /nfs/dbraw/zinc/56/74/37/1086567437.db2.gz WFWWBYSUXQDZDL-ZKMFCFPVSA-N 3 1 369.597 4.141 20 0 FIADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466637 1086567449 /nfs/dbraw/zinc/56/74/49/1086567449.db2.gz WFWWBYSUXQDZDL-ZKMFCFPVSA-N 3 1 369.597 4.141 20 0 FIADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466637 1086567459 /nfs/dbraw/zinc/56/74/59/1086567459.db2.gz WFWWBYSUXQDZDL-ZKMFCFPVSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468937 1086570183 /nfs/dbraw/zinc/57/01/83/1086570183.db2.gz NOIAPLAPBRNZQX-JSGCOSHPSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1sccc1Br ZINC000663468937 1086570190 /nfs/dbraw/zinc/57/01/90/1086570190.db2.gz NOIAPLAPBRNZQX-JSGCOSHPSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468937 1086570197 /nfs/dbraw/zinc/57/01/97/1086570197.db2.gz NOIAPLAPBRNZQX-JSGCOSHPSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663469693 1086575442 /nfs/dbraw/zinc/57/54/42/1086575442.db2.gz GVWYIUSVSQSQDH-WBVHZDCISA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663469693 1086575452 /nfs/dbraw/zinc/57/54/52/1086575452.db2.gz GVWYIUSVSQSQDH-WBVHZDCISA-N 2 1 363.427 4.101 20 0 FIADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469977 1086575799 /nfs/dbraw/zinc/57/57/99/1086575799.db2.gz SHCQPUDPUWJRFY-AZUAARDMSA-N 2 1 371.569 4.239 20 0 FIADMP COc1ccc([C@@H](CC(C)C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000647288213 1086610445 /nfs/dbraw/zinc/61/04/45/1086610445.db2.gz TUHOOHBWDDSZBL-OAQYLSRUSA-N 2 1 360.542 4.017 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001167826833 1086618558 /nfs/dbraw/zinc/61/85/58/1086618558.db2.gz RLMSYPYWVLNXCZ-AKHDSKFASA-N 2 1 367.578 4.017 20 0 FIADMP CC(C)[NH+](CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C(C)C ZINC000467767775 1086661948 /nfs/dbraw/zinc/66/19/48/1086661948.db2.gz FLKCWKOSNGJPTI-UHFFFAOYSA-N 2 1 354.922 4.100 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001167834820 1086690302 /nfs/dbraw/zinc/69/03/02/1086690302.db2.gz NAUKWMRHAVEVRJ-OAQYLSRUSA-N 2 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001167835208 1086700391 /nfs/dbraw/zinc/70/03/91/1086700391.db2.gz OTKUTWXGEVYGGK-ICSRJNTNSA-N 2 1 372.557 4.009 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167835216 1086700558 /nfs/dbraw/zinc/70/05/58/1086700558.db2.gz OWFSGGDLDGBVCV-RXVVDRJESA-N 2 1 369.594 4.124 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001167835590 1086705677 /nfs/dbraw/zinc/70/56/77/1086705677.db2.gz RRRKYDVKVODTSI-XWGVYQGASA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001167835590 1086705685 /nfs/dbraw/zinc/70/56/85/1086705685.db2.gz RRRKYDVKVODTSI-XWGVYQGASA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001167835590 1086705691 /nfs/dbraw/zinc/70/56/91/1086705691.db2.gz RRRKYDVKVODTSI-XWGVYQGASA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001167838155 1086712380 /nfs/dbraw/zinc/71/23/80/1086712380.db2.gz QWHLFOYJZWEIHA-HNNXBMFYSA-N 2 1 373.372 4.021 20 0 FIADMP CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001167838962 1086713822 /nfs/dbraw/zinc/71/38/22/1086713822.db2.gz XGHVPSOOFHPCPE-BVSLBCMMSA-N 2 1 374.569 4.166 20 0 FIADMP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059314 1086717386 /nfs/dbraw/zinc/71/73/86/1086717386.db2.gz YPEZMNCPXPQBSV-LPHOPBHVSA-N 2 1 351.494 4.005 20 0 FIADMP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059314 1086717390 /nfs/dbraw/zinc/71/73/90/1086717390.db2.gz YPEZMNCPXPQBSV-LPHOPBHVSA-N 2 1 351.494 4.005 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841616 1086738077 /nfs/dbraw/zinc/73/80/77/1086738077.db2.gz NDJQVMKAMNNORW-RXVVDRJESA-N 2 1 369.594 4.218 20 0 FIADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432420747 1086743486 /nfs/dbraw/zinc/74/34/86/1086743486.db2.gz MDAQZADSVRHOHJ-IRXDYDNUSA-N 2 1 372.475 4.117 20 0 FIADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432420747 1086743495 /nfs/dbraw/zinc/74/34/95/1086743495.db2.gz MDAQZADSVRHOHJ-IRXDYDNUSA-N 2 1 372.475 4.117 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425025 1086749754 /nfs/dbraw/zinc/74/97/54/1086749754.db2.gz SPUDTVTZEZPAMZ-OXQOHEQNSA-N 2 1 350.934 4.272 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001167842600 1086755447 /nfs/dbraw/zinc/75/54/47/1086755447.db2.gz YNKPRZXWUCLHLT-IBGZPJMESA-N 3 1 363.565 4.232 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001167842600 1086755453 /nfs/dbraw/zinc/75/54/53/1086755453.db2.gz YNKPRZXWUCLHLT-IBGZPJMESA-N 3 1 363.565 4.232 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428240 1086756499 /nfs/dbraw/zinc/75/64/99/1086756499.db2.gz JEVBUPPNNJDJQT-FTWXPCQCSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428240 1086756503 /nfs/dbraw/zinc/75/65/03/1086756503.db2.gz JEVBUPPNNJDJQT-FTWXPCQCSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428659 1086756799 /nfs/dbraw/zinc/75/67/99/1086756799.db2.gz MNJGTESTKRWADS-ACJLOTCBSA-N 2 1 357.325 4.071 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428659 1086756807 /nfs/dbraw/zinc/75/68/07/1086756807.db2.gz MNJGTESTKRWADS-ACJLOTCBSA-N 2 1 357.325 4.071 20 0 FIADMP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000650710081 1086768030 /nfs/dbraw/zinc/76/80/30/1086768030.db2.gz CJFPYGAXDZVZHX-SLFFLAALSA-N 2 1 355.457 4.023 20 0 FIADMP Clc1ccc2c(ccn2CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000583528305 1086771304 /nfs/dbraw/zinc/77/13/04/1086771304.db2.gz NVVLAHKOHABPDL-UTKZUKDTSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528305 1086771315 /nfs/dbraw/zinc/77/13/15/1086771315.db2.gz NVVLAHKOHABPDL-UTKZUKDTSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528305 1086771329 /nfs/dbraw/zinc/77/13/29/1086771329.db2.gz NVVLAHKOHABPDL-UTKZUKDTSA-N 2 1 357.929 4.243 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717750 1086796541 /nfs/dbraw/zinc/79/65/41/1086796541.db2.gz LLGQHFDNHDBWFU-UHFFFAOYSA-N 2 1 372.875 4.030 20 0 FIADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772136 1086813746 /nfs/dbraw/zinc/81/37/46/1086813746.db2.gz KBXGAALNMIRDLT-HXUWFJFHSA-N 2 1 361.489 4.220 20 0 FIADMP CC(C)Oc1ccc(CC[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512137859 1086816855 /nfs/dbraw/zinc/81/68/55/1086816855.db2.gz WJFPWIKJOHVIOL-MRXNPFEDSA-N 2 1 361.555 4.103 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250402 1086841074 /nfs/dbraw/zinc/84/10/74/1086841074.db2.gz WQXWGMOSVJQXKD-KWYTWIKJSA-N 2 1 370.562 4.128 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250402 1086841081 /nfs/dbraw/zinc/84/10/81/1086841081.db2.gz WQXWGMOSVJQXKD-KWYTWIKJSA-N 2 1 370.562 4.128 20 0 FIADMP c1c2cccnc2oc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774401 1086849254 /nfs/dbraw/zinc/84/92/54/1086849254.db2.gz YPWFMWURUSJDSO-FQEVSTJZSA-N 2 1 361.489 4.220 20 0 FIADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000583639116 1086886776 /nfs/dbraw/zinc/88/67/76/1086886776.db2.gz WKUNAQOEPLMCHZ-QGZVFWFLSA-N 2 1 362.315 4.028 20 0 FIADMP CCO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660777 1086903139 /nfs/dbraw/zinc/90/31/39/1086903139.db2.gz MDMYYOSXXNQVBZ-AJSBUHFISA-N 2 1 352.522 4.264 20 0 FIADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1-c1cccc(Cl)c1 ZINC000650753283 1086954902 /nfs/dbraw/zinc/95/49/02/1086954902.db2.gz KNTLWAPJLQURQF-ZDUSSCGKSA-N 2 1 372.875 4.283 20 0 FIADMP CCCn1nc(C)c(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)c1C ZINC000536140145 1086987987 /nfs/dbraw/zinc/98/79/87/1086987987.db2.gz KLFSBDSUSYKNSH-UHFFFAOYSA-N 2 1 360.590 4.244 20 0 FIADMP CO[C@@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871540 1087007133 /nfs/dbraw/zinc/00/71/33/1087007133.db2.gz NUSQXXKZFIBZAL-GOTSBHOMSA-N 2 1 364.533 4.335 20 0 FIADMP CO[C@@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871540 1087007140 /nfs/dbraw/zinc/00/71/40/1087007140.db2.gz NUSQXXKZFIBZAL-GOTSBHOMSA-N 2 1 364.533 4.335 20 0 FIADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000151359087 1087094777 /nfs/dbraw/zinc/09/47/77/1087094777.db2.gz NBKYQSLTEZQKFK-IBGZPJMESA-N 2 1 372.475 4.229 20 0 FIADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000584020965 1087113159 /nfs/dbraw/zinc/11/31/59/1087113159.db2.gz AKDZNJBTJXXWQS-AWEZNQCLSA-N 2 1 357.325 4.166 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000584378423 1087313799 /nfs/dbraw/zinc/31/37/99/1087313799.db2.gz JKEMZOMKHQTEEX-IRLDBZIGSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000584378423 1087313802 /nfs/dbraw/zinc/31/38/02/1087313802.db2.gz JKEMZOMKHQTEEX-IRLDBZIGSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000584378423 1087313809 /nfs/dbraw/zinc/31/38/09/1087313809.db2.gz JKEMZOMKHQTEEX-IRLDBZIGSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000584378424 1087313843 /nfs/dbraw/zinc/31/38/43/1087313843.db2.gz JKEMZOMKHQTEEX-RBBKRZOGSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000584378424 1087313847 /nfs/dbraw/zinc/31/38/47/1087313847.db2.gz JKEMZOMKHQTEEX-RBBKRZOGSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000584378424 1087313850 /nfs/dbraw/zinc/31/38/50/1087313850.db2.gz JKEMZOMKHQTEEX-RBBKRZOGSA-N 2 1 350.506 4.278 20 0 FIADMP FC(F)COc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000089543535 1087394794 /nfs/dbraw/zinc/39/47/94/1087394794.db2.gz RXMVMRBCXIOQDT-UHFFFAOYSA-N 2 1 352.469 4.217 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770192 1087456118 /nfs/dbraw/zinc/45/61/18/1087456118.db2.gz TWIPKCFPMAGAID-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770192 1087456119 /nfs/dbraw/zinc/45/61/19/1087456119.db2.gz TWIPKCFPMAGAID-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770192 1087456122 /nfs/dbraw/zinc/45/61/22/1087456122.db2.gz TWIPKCFPMAGAID-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770192 1087456124 /nfs/dbraw/zinc/45/61/24/1087456124.db2.gz TWIPKCFPMAGAID-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)[C@H](C)C1 ZINC000657884437 1087528835 /nfs/dbraw/zinc/52/88/35/1087528835.db2.gz UHSJMKHDBXGXON-RYRKJORJSA-N 2 1 361.555 4.084 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cccc5cnccc54)C3)C2)cc1 ZINC000685443013 1087569291 /nfs/dbraw/zinc/56/92/91/1087569291.db2.gz HZSWUVHBIJCNCU-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cccc5cnccc54)C3)C2)cc1 ZINC000685443013 1087569295 /nfs/dbraw/zinc/56/92/95/1087569295.db2.gz HZSWUVHBIJCNCU-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cccc5cnccc54)C3)C2)cc1 ZINC000685443013 1087569298 /nfs/dbraw/zinc/56/92/98/1087569298.db2.gz HZSWUVHBIJCNCU-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)CC1 ZINC000685463135 1087575398 /nfs/dbraw/zinc/57/53/98/1087575398.db2.gz OATMKIYJWZCEQL-AWEZNQCLSA-N 2 1 358.860 4.105 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000685462841 1087575414 /nfs/dbraw/zinc/57/54/14/1087575414.db2.gz PTQLDKPBZVNZJX-UHFFFAOYSA-N 2 1 355.404 4.256 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000685462841 1087575420 /nfs/dbraw/zinc/57/54/20/1087575420.db2.gz PTQLDKPBZVNZJX-UHFFFAOYSA-N 2 1 355.404 4.256 20 0 FIADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000685476848 1087580308 /nfs/dbraw/zinc/58/03/08/1087580308.db2.gz LQGZAIYQEYHJGG-CALCHBBNSA-N 2 1 358.448 4.180 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685661495 1087666041 /nfs/dbraw/zinc/66/60/41/1087666041.db2.gz UOPUZMXIEIOQDU-CDIGIKMISA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662044 1087666947 /nfs/dbraw/zinc/66/69/47/1087666947.db2.gz YZFGSYGQLKQZHW-LQBOVUBWSA-N 2 1 370.562 4.036 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000658034161 1087703724 /nfs/dbraw/zinc/70/37/24/1087703724.db2.gz COIBQOQUXITMLV-IRXDYDNUSA-N 2 1 356.510 4.240 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658143555 1087735078 /nfs/dbraw/zinc/73/50/78/1087735078.db2.gz ZHUYNVREMRVGRZ-GOTSBHOMSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2ccccc2s1 ZINC000658139963 1087745453 /nfs/dbraw/zinc/74/54/53/1087745453.db2.gz RLAYZEHHEBWTTM-OXQOHEQNSA-N 2 1 366.530 4.319 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424280369 1087909593 /nfs/dbraw/zinc/90/95/93/1087909593.db2.gz HEWBRGRPJNWZME-PMACEKPBSA-N 2 1 357.567 4.385 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351869 1087938069 /nfs/dbraw/zinc/93/80/69/1087938069.db2.gz PLPWWRSOCPHVGR-OQEHDIDLSA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351869 1087938079 /nfs/dbraw/zinc/93/80/79/1087938079.db2.gz PLPWWRSOCPHVGR-OQEHDIDLSA-N 2 1 356.554 4.080 20 0 FIADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647543578 1088030603 /nfs/dbraw/zinc/03/06/03/1088030603.db2.gz PTJBAYJIPNWBHL-QZTJIDSGSA-N 2 1 371.550 4.030 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000311246583 1088444197 /nfs/dbraw/zinc/44/41/97/1088444197.db2.gz LBIUCCRDIPBNAI-LJQANCHMSA-N 2 1 359.514 4.095 20 0 FIADMP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000892677246 1088457411 /nfs/dbraw/zinc/45/74/11/1088457411.db2.gz XKSXUNVDHFMEBI-UHFFFAOYSA-N 2 1 355.461 4.004 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)c1OC ZINC000514106155 1088752675 /nfs/dbraw/zinc/75/26/75/1088752675.db2.gz WGIAQKSGEQHKHV-GOSISDBHSA-N 2 1 368.521 4.327 20 0 FIADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](CC)c1ccccc1 ZINC000514175274 1088859825 /nfs/dbraw/zinc/85/98/25/1088859825.db2.gz XFGXLQICXLDQRK-JOCHJYFZSA-N 2 1 373.585 4.229 20 0 FIADMP Fc1ccc(OCCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434666247 1088931628 /nfs/dbraw/zinc/93/16/28/1088931628.db2.gz PPINVWOLYUPTBU-UHFFFAOYSA-N 2 1 357.473 4.007 20 0 FIADMP Fc1ccccc1SCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686714 1088945894 /nfs/dbraw/zinc/94/58/94/1088945894.db2.gz AXWCVDJXTPJZDO-UHFFFAOYSA-N 2 1 359.514 4.330 20 0 FIADMP COc1ccc(C[N@H+]2CCCN(c3cc(C)[nH+]c4ccccc43)CC2)cc1 ZINC000514352538 1089027318 /nfs/dbraw/zinc/02/73/18/1089027318.db2.gz HNUWTGRPJCYASO-UHFFFAOYSA-N 2 1 361.489 4.264 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000312390448 1089060668 /nfs/dbraw/zinc/06/06/68/1089060668.db2.gz CTQUTUVUNQEUCI-QUCCMNQESA-N 2 1 366.505 4.021 20 0 FIADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415085549 1089131626 /nfs/dbraw/zinc/13/16/26/1089131626.db2.gz QJKXJFCUMOFKIK-MSOLQXFVSA-N 2 1 364.411 4.211 20 0 FIADMP c1cc(-c2n[nH]cc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000435061850 1089252043 /nfs/dbraw/zinc/25/20/43/1089252043.db2.gz UXNQTPDUICDJTP-UHFFFAOYSA-N 2 1 367.522 4.051 20 0 FIADMP c1sc2ccccc2c1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435386314 1089591805 /nfs/dbraw/zinc/59/18/05/1089591805.db2.gz UGQQCARPEBAXHZ-LJQANCHMSA-N 2 1 351.519 4.441 20 0 FIADMP c1sc2ccccc2c1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435386314 1089591821 /nfs/dbraw/zinc/59/18/21/1089591821.db2.gz UGQQCARPEBAXHZ-LJQANCHMSA-N 2 1 351.519 4.441 20 0 FIADMP [NH3+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000261928519 1089609108 /nfs/dbraw/zinc/60/91/08/1089609108.db2.gz LGQDXKYEPKHPFH-UHFFFAOYSA-N 2 1 372.472 4.209 20 0 FIADMP COCc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435420496 1089634561 /nfs/dbraw/zinc/63/45/61/1089634561.db2.gz DGEZRDWOKKFGSO-HXUWFJFHSA-N 2 1 356.535 4.039 20 0 FIADMP CCn1ccnc1C[N@H+](Cc1cccc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435694060 1089873886 /nfs/dbraw/zinc/87/38/86/1089873886.db2.gz KNLVYOFLDQZIHR-QFIPXVFZSA-N 2 1 374.532 4.201 20 0 FIADMP CCn1ccnc1C[N@@H+](Cc1cccc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435694060 1089873911 /nfs/dbraw/zinc/87/39/11/1089873911.db2.gz KNLVYOFLDQZIHR-QFIPXVFZSA-N 2 1 374.532 4.201 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)nc3ccccn32)c1 ZINC000236667828 1090237108 /nfs/dbraw/zinc/23/71/08/1090237108.db2.gz SRMZTVCLUWTTNN-UHFFFAOYSA-N 2 1 356.901 4.118 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)nc3ccccn32)c1 ZINC000236667828 1090237112 /nfs/dbraw/zinc/23/71/12/1090237112.db2.gz SRMZTVCLUWTTNN-UHFFFAOYSA-N 2 1 356.901 4.118 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc(Br)c1 ZINC000181481102 1090282521 /nfs/dbraw/zinc/28/25/21/1090282521.db2.gz VDWCLONCNVHZIT-YVEFUNNKSA-N 2 1 355.295 4.113 20 0 FIADMP COCC[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549421569 1090318002 /nfs/dbraw/zinc/31/80/02/1090318002.db2.gz ROBDRBHKHNGFOY-SIOWJKJVSA-N 2 1 350.934 4.269 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1 ZINC000378403194 1090344671 /nfs/dbraw/zinc/34/46/71/1090344671.db2.gz NNVPNOWINPKWSP-QGZVFWFLSA-N 2 1 371.488 4.432 20 0 FIADMP C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268561 1090467017 /nfs/dbraw/zinc/46/70/17/1090467017.db2.gz IDNKCCWJQVEJEQ-FDDCHVKYSA-N 2 1 362.521 4.136 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000582102556 1090711921 /nfs/dbraw/zinc/71/19/21/1090711921.db2.gz WTJSIZVXQSQJMI-CYBMUJFWSA-N 2 1 360.914 4.394 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310968 1090804490 /nfs/dbraw/zinc/80/44/90/1090804490.db2.gz LELUWSLBEXWJAN-BVOGOJNSSA-N 2 1 354.563 4.394 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000417365644 1090847018 /nfs/dbraw/zinc/84/70/18/1090847018.db2.gz OBYODQQDSMDMAX-YDPRHXJPSA-N 2 1 350.506 4.291 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001167752155 1091159745 /nfs/dbraw/zinc/15/97/45/1091159745.db2.gz QKDVRLZJWULBAV-ICSRJNTNSA-N 2 1 369.557 4.027 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167752155 1091159748 /nfs/dbraw/zinc/15/97/48/1091159748.db2.gz QKDVRLZJWULBAV-ICSRJNTNSA-N 3 1 369.557 4.027 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167752155 1091159751 /nfs/dbraw/zinc/15/97/51/1091159751.db2.gz QKDVRLZJWULBAV-ICSRJNTNSA-N 3 1 369.557 4.027 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001167753355 1091171128 /nfs/dbraw/zinc/17/11/28/1091171128.db2.gz HKKGACOCGWDMRG-STZQEDGTSA-N 2 1 359.558 4.150 20 0 FIADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000390664086 1091378818 /nfs/dbraw/zinc/37/88/18/1091378818.db2.gz QOEISRBTSKDQCA-OTYNDTSQSA-N 2 1 353.485 4.457 20 0 FIADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000390664086 1091378833 /nfs/dbraw/zinc/37/88/33/1091378833.db2.gz QOEISRBTSKDQCA-OTYNDTSQSA-N 2 1 353.485 4.457 20 0 FIADMP COc1cccc(SCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000660437258 1091431905 /nfs/dbraw/zinc/43/19/05/1091431905.db2.gz WNQRSTXRNKYKHA-UHFFFAOYSA-N 2 1 371.550 4.200 20 0 FIADMP COc1cccc([C@H](C)[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1 ZINC000500406627 1091456450 /nfs/dbraw/zinc/45/64/50/1091456450.db2.gz GHFMRHUPYSYALL-INIZCTEOSA-N 2 1 365.452 4.266 20 0 FIADMP C[C@H](c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474369 1091592513 /nfs/dbraw/zinc/59/25/13/1091592513.db2.gz IDDUSTUFLFTNHK-VQIMIIECSA-N 2 1 370.459 4.039 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000512321806 1092036661 /nfs/dbraw/zinc/03/66/61/1092036661.db2.gz GSFMKCSWBYZQBO-JYJNAYRXSA-N 2 1 364.505 4.147 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000512321806 1092036677 /nfs/dbraw/zinc/03/66/77/1092036677.db2.gz GSFMKCSWBYZQBO-JYJNAYRXSA-N 2 1 364.505 4.147 20 0 FIADMP CCCc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000512351055 1092116503 /nfs/dbraw/zinc/11/65/03/1092116503.db2.gz YGIZGOUNCDQPHR-UHFFFAOYSA-N 2 1 351.538 4.173 20 0 FIADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000474028193 1092318558 /nfs/dbraw/zinc/31/85/58/1092318558.db2.gz AMMWVVUWAKAVMJ-NRFANRHFSA-N 2 1 365.521 4.380 20 0 FIADMP C[C@@H]1CC(NCc2ccc(C[NH+](C)C)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012185 1092346594 /nfs/dbraw/zinc/34/65/94/1092346594.db2.gz XOPDXFYFDRLVNU-WOJBJXKFSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@@H]1CC([NH2+]Cc2ccc(C[NH+](C)C)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012185 1092346603 /nfs/dbraw/zinc/34/66/03/1092346603.db2.gz XOPDXFYFDRLVNU-WOJBJXKFSA-N 2 1 365.565 4.279 20 0 FIADMP Cc1cc(Br)ccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279322881 1092352796 /nfs/dbraw/zinc/35/27/96/1092352796.db2.gz UBPOOYCFEKYCPU-UHFFFAOYSA-N 2 1 351.332 4.065 20 0 FIADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000520899111 1092354951 /nfs/dbraw/zinc/35/49/51/1092354951.db2.gz QOSXCDKJUYACLQ-SFHVURJKSA-N 2 1 355.551 4.412 20 0 FIADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000520899111 1092354959 /nfs/dbraw/zinc/35/49/59/1092354959.db2.gz QOSXCDKJUYACLQ-SFHVURJKSA-N 2 1 355.551 4.412 20 0 FIADMP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCCN3CCC(O)CC3)o2)cc1 ZINC000236709187 1092414829 /nfs/dbraw/zinc/41/48/29/1092414829.db2.gz XVIWBSTXVBKCGD-UHFFFAOYSA-N 2 1 370.537 4.181 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000474032055 1092536971 /nfs/dbraw/zinc/53/69/71/1092536971.db2.gz IJUKJUYFOCPWMS-VGSGFSFPSA-N 2 1 356.554 4.397 20 0 FIADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1OCc1ccc(F)cc1 ZINC000521333092 1092652583 /nfs/dbraw/zinc/65/25/83/1092652583.db2.gz ANTGNHXGTNWXBS-UHFFFAOYSA-N 2 1 374.500 4.091 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794928 1092770582 /nfs/dbraw/zinc/77/05/82/1092770582.db2.gz SRLWHKPITAVWFB-ZWCUEREDSA-N 2 1 359.517 4.135 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794928 1092770591 /nfs/dbraw/zinc/77/05/91/1092770591.db2.gz SRLWHKPITAVWFB-ZWCUEREDSA-N 2 1 359.517 4.135 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)[C@@H](C)C1 ZINC000474039328 1092841172 /nfs/dbraw/zinc/84/11/72/1092841172.db2.gz SUHTWKDLPUXYCF-BULFRSBZSA-N 2 1 374.569 4.144 20 0 FIADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000442896170 1092848486 /nfs/dbraw/zinc/84/84/86/1092848486.db2.gz BMPZFQGIBXLIJC-INIZCTEOSA-N 2 1 371.912 4.153 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc(Cl)c1OC ZINC000521826310 1092930517 /nfs/dbraw/zinc/93/05/17/1092930517.db2.gz WXEXEGRFLJRXNU-UHFFFAOYSA-N 2 1 368.949 4.492 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc(Cl)c1OC ZINC000521826310 1092930523 /nfs/dbraw/zinc/93/05/23/1092930523.db2.gz WXEXEGRFLJRXNU-UHFFFAOYSA-N 2 1 368.949 4.492 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000245689277 1092948244 /nfs/dbraw/zinc/94/82/44/1092948244.db2.gz KAZHVCUSKIFONH-MJZWAZDZSA-N 2 1 368.496 4.033 20 0 FIADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000401786467 1092953686 /nfs/dbraw/zinc/95/36/86/1092953686.db2.gz ZXDTVFVOVXPJAN-SNVBAGLBSA-N 2 1 365.321 4.351 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000512636271 1093052152 /nfs/dbraw/zinc/05/21/52/1093052152.db2.gz KWGPJIKUDMDHPD-CEWLAPEOSA-N 2 1 369.578 4.138 20 0 FIADMP COC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512648505 1093069043 /nfs/dbraw/zinc/06/90/43/1093069043.db2.gz NQPZAFHXJZZFDZ-SOBISTDDSA-N 2 1 356.554 4.082 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512653421 1093079761 /nfs/dbraw/zinc/07/97/61/1093079761.db2.gz FDPWQVLRHVWNDA-BHDDXSALSA-N 2 1 356.554 4.084 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1F ZINC000474050217 1093145584 /nfs/dbraw/zinc/14/55/84/1093145584.db2.gz GDPKWAMHDWXRCU-QWFCFKBJSA-N 2 1 357.473 4.005 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018344 1093166879 /nfs/dbraw/zinc/16/68/79/1093166879.db2.gz CYYPDJYBYMFDCZ-HOSQYBKFSA-N 2 1 364.533 4.066 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018344 1093166883 /nfs/dbraw/zinc/16/68/83/1093166883.db2.gz CYYPDJYBYMFDCZ-HOSQYBKFSA-N 2 1 364.533 4.066 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1 ZINC000433096581 1093249810 /nfs/dbraw/zinc/24/98/10/1093249810.db2.gz FTJLWEXOOAIPLK-QFIPXVFZSA-N 2 1 363.549 4.157 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC(C)C)cc2)[C@@H](C)C1 ZINC000469787214 1093295468 /nfs/dbraw/zinc/29/54/68/1093295468.db2.gz NXVTZHCUEIOBTF-GHTZIAJQSA-N 2 1 364.599 4.414 20 0 FIADMP CO[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433128124 1093311662 /nfs/dbraw/zinc/31/16/62/1093311662.db2.gz KTYZPPAWKGELJD-HSZRJFAPSA-N 2 1 364.533 4.362 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469789834 1093344950 /nfs/dbraw/zinc/34/49/50/1093344950.db2.gz ZXBVJITWILYULD-QFBILLFUSA-N 2 1 370.990 4.159 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)[C@H](C)C1 ZINC000469789835 1093345298 /nfs/dbraw/zinc/34/52/98/1093345298.db2.gz ZXBVJITWILYULD-VQIMIIECSA-N 2 1 370.990 4.159 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000512826730 1093402620 /nfs/dbraw/zinc/40/26/20/1093402620.db2.gz ITZYPXUISLYVPG-HDICACEKSA-N 2 1 374.960 4.373 20 0 FIADMP CC(C)C[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000474149746 1093465822 /nfs/dbraw/zinc/46/58/22/1093465822.db2.gz JREQVDQYHCEHOT-ZDXQCDESSA-N 2 1 371.613 4.307 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000389160269 1093479417 /nfs/dbraw/zinc/47/94/17/1093479417.db2.gz YNNLUGBLTUQPNA-PKTZIBPZSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000389160269 1093479420 /nfs/dbraw/zinc/47/94/20/1093479420.db2.gz YNNLUGBLTUQPNA-PKTZIBPZSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000389160269 1093479423 /nfs/dbraw/zinc/47/94/23/1093479423.db2.gz YNNLUGBLTUQPNA-PKTZIBPZSA-N 2 1 356.554 4.037 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412012207 1093535652 /nfs/dbraw/zinc/53/56/52/1093535652.db2.gz XAFPOZODLDJTNN-NRFANRHFSA-N 2 1 355.526 4.245 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(O)cc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030227 1093576752 /nfs/dbraw/zinc/57/67/52/1093576752.db2.gz UXVMJCWOHMCJGA-WKZKVMAPSA-N 2 1 364.533 4.281 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000474424248 1093762298 /nfs/dbraw/zinc/76/22/98/1093762298.db2.gz GJFTUYYEJVFEBR-BMFZPTHFSA-N 2 1 356.341 4.035 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000474424248 1093762301 /nfs/dbraw/zinc/76/23/01/1093762301.db2.gz GJFTUYYEJVFEBR-BMFZPTHFSA-N 2 1 356.341 4.035 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474476526 1093821268 /nfs/dbraw/zinc/82/12/68/1093821268.db2.gz ZOVHROZWXMUUQS-HNNXBMFYSA-N 2 1 353.432 4.459 20 0 FIADMP C[C@@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C[NH+]1CCCC1 ZINC000327545325 1093852985 /nfs/dbraw/zinc/85/29/85/1093852985.db2.gz CRLBLVVSGJQSEN-HNNXBMFYSA-N 2 1 355.507 4.378 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000246531395 1093940876 /nfs/dbraw/zinc/94/08/76/1093940876.db2.gz VILQQVNWSVQOFL-KBMXLJTQSA-N 2 1 369.372 4.146 20 0 FIADMP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337690 1094063856 /nfs/dbraw/zinc/06/38/56/1094063856.db2.gz JMDUIDIDWBMCCU-PZHBDVNGSA-N 2 1 364.533 4.348 20 0 FIADMP c1nc2c(n1[C@@H]1CC[N@H+](Cc3cccc(-c4ccncc4)c3)C1)CCCC2 ZINC000433758685 1094082128 /nfs/dbraw/zinc/08/21/28/1094082128.db2.gz NRHQZKMWMQKNHU-OAQYLSRUSA-N 2 1 358.489 4.271 20 0 FIADMP Cc1cccc2ncc(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)n21 ZINC000513493433 1094160917 /nfs/dbraw/zinc/16/09/17/1094160917.db2.gz ASEIVVIXIFAXBN-CTNGQTDRSA-N 2 1 362.521 4.033 20 0 FIADMP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000513494101 1094162010 /nfs/dbraw/zinc/16/20/10/1094162010.db2.gz FWRQSVDBGWEFFI-XLIONFOSSA-N 2 1 356.485 4.225 20 0 FIADMP CCCn1nc(C)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513495466 1094162309 /nfs/dbraw/zinc/16/23/09/1094162309.db2.gz QDVPEQAMTKNFJO-PGRDOPGGSA-N 2 1 368.569 4.300 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-n3ccnc3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488018 1094167094 /nfs/dbraw/zinc/16/70/94/1094167094.db2.gz NQCMKJQQMVBESW-OFNKIYASSA-N 2 1 374.532 4.263 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)on1 ZINC000647859069 1094193441 /nfs/dbraw/zinc/19/34/41/1094193441.db2.gz ZYCBJHLBWIIICL-IBGZPJMESA-N 2 1 367.493 4.309 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)on1 ZINC000647859069 1094193449 /nfs/dbraw/zinc/19/34/49/1094193449.db2.gz ZYCBJHLBWIIICL-IBGZPJMESA-N 2 1 367.493 4.309 20 0 FIADMP Cc1ccc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513608514 1094243445 /nfs/dbraw/zinc/24/34/45/1094243445.db2.gz IUKYNSAOBBZLJB-BGYRXZFFSA-N 2 1 352.522 4.202 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000513647881 1094253001 /nfs/dbraw/zinc/25/30/01/1094253001.db2.gz LJICVCJJFFRUGJ-INIZCTEOSA-N 2 1 374.960 4.354 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000513652664 1094255411 /nfs/dbraw/zinc/25/54/11/1094255411.db2.gz AZMJOLMIXBMMOG-VNXZQDSDSA-N 2 1 358.570 4.351 20 0 FIADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513679423 1094263892 /nfs/dbraw/zinc/26/38/92/1094263892.db2.gz WZYLSPHOLSKMCZ-LFDQFFAPSA-N 2 1 356.554 4.082 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C)ccc2F)CC1 ZINC000236980271 1094298923 /nfs/dbraw/zinc/29/89/23/1094298923.db2.gz KWSJQSPGOOVSMF-QGZVFWFLSA-N 2 1 373.491 4.266 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)o1 ZINC000513696858 1094362458 /nfs/dbraw/zinc/36/24/58/1094362458.db2.gz FIFPJRSCQCZEAF-QZNHQXDQSA-N 2 1 367.537 4.114 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474598666 1094394677 /nfs/dbraw/zinc/39/46/77/1094394677.db2.gz JMFPOSFWRJXFDQ-BQJWPVKWSA-N 2 1 370.990 4.373 20 0 FIADMP C[C@@H]1CC([NH2+]Cc2cnc3ccc(F)cn23)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039670 1094450593 /nfs/dbraw/zinc/45/05/93/1094450593.db2.gz HALMYMZOCXORGD-IAGOWNOFSA-N 2 1 366.484 4.005 20 0 FIADMP C[C@H]1CC([NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039468 1094459770 /nfs/dbraw/zinc/45/97/70/1094459770.db2.gz FDCTZQGKDLSNDT-SFTDATJTSA-N 2 1 363.549 4.250 20 0 FIADMP C[N@@H+]1CCCC12CC[NH+](CC/C=C/c1ccc(Br)cc1)CC2 ZINC000542265269 1094465167 /nfs/dbraw/zinc/46/51/67/1094465167.db2.gz HKPJBERGWVIEKA-GORDUTHDSA-N 2 1 363.343 4.413 20 0 FIADMP C[N@H+]1CCCC12CC[NH+](CC/C=C/c1ccc(Br)cc1)CC2 ZINC000542265269 1094465177 /nfs/dbraw/zinc/46/51/77/1094465177.db2.gz HKPJBERGWVIEKA-GORDUTHDSA-N 2 1 363.343 4.413 20 0 FIADMP Cc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1 ZINC000501061483 1094472522 /nfs/dbraw/zinc/47/25/22/1094472522.db2.gz FNESWFVWXREGMV-UHFFFAOYSA-N 2 1 360.505 4.287 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501063680 1094475066 /nfs/dbraw/zinc/47/50/66/1094475066.db2.gz KLXLFZAEKUTMLE-XLIONFOSSA-N 2 1 372.553 4.385 20 0 FIADMP CSc1ccc(OCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501066418 1094478202 /nfs/dbraw/zinc/47/82/02/1094478202.db2.gz CFBUBAHAZHSRAD-UHFFFAOYSA-N 2 1 371.550 4.031 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc3ccccc3c2)C2CC2)CC1 ZINC000501088136 1094488991 /nfs/dbraw/zinc/48/89/91/1094488991.db2.gz JAAXSFBOJQNCLK-UHFFFAOYSA-N 2 1 365.565 4.220 20 0 FIADMP COc1ccc(Cl)cc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501080928 1094496417 /nfs/dbraw/zinc/49/64/17/1094496417.db2.gz WEVNDJGFWKDYEH-UHFFFAOYSA-N 2 1 359.901 4.092 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@@H]1c1ccccc1 ZINC000453377231 1094535149 /nfs/dbraw/zinc/53/51/49/1094535149.db2.gz JUOIADJSVBKGAD-MTQWCTHYSA-N 2 1 356.535 4.393 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@@H]1c1ccccc1 ZINC000453377231 1094535161 /nfs/dbraw/zinc/53/51/61/1094535161.db2.gz JUOIADJSVBKGAD-MTQWCTHYSA-N 2 1 356.535 4.393 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000474716552 1094537884 /nfs/dbraw/zinc/53/78/84/1094537884.db2.gz YCDRLXMZPNDWKV-QZTJIDSGSA-N 2 1 370.537 4.437 20 0 FIADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474723706 1094542086 /nfs/dbraw/zinc/54/20/86/1094542086.db2.gz GSIBJQLGWXALSL-HRCADAONSA-N 2 1 368.974 4.128 20 0 FIADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474723254 1094542974 /nfs/dbraw/zinc/54/29/74/1094542974.db2.gz PDJNVDSXHJVDQD-SJORKVTESA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811460 1094634737 /nfs/dbraw/zinc/63/47/37/1094634737.db2.gz ROVAOZNXIRUJQA-JZGRTCEGSA-N 2 1 370.459 4.103 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811460 1094634738 /nfs/dbraw/zinc/63/47/38/1094634738.db2.gz ROVAOZNXIRUJQA-JZGRTCEGSA-N 2 1 370.459 4.103 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000420308463 1094872142 /nfs/dbraw/zinc/87/21/42/1094872142.db2.gz KEIRXRKVRMZTBZ-QUCCMNQESA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000420308463 1094872163 /nfs/dbraw/zinc/87/21/63/1094872163.db2.gz KEIRXRKVRMZTBZ-QUCCMNQESA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000420308459 1094873438 /nfs/dbraw/zinc/87/34/38/1094873438.db2.gz KEIRXRKVRMZTBZ-AZUAARDMSA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000420308459 1094873452 /nfs/dbraw/zinc/87/34/52/1094873452.db2.gz KEIRXRKVRMZTBZ-AZUAARDMSA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000420308466 1094873740 /nfs/dbraw/zinc/87/37/40/1094873740.db2.gz KEIRXRKVRMZTBZ-UYAOXDASSA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000420308466 1094873758 /nfs/dbraw/zinc/87/37/58/1094873758.db2.gz KEIRXRKVRMZTBZ-UYAOXDASSA-N 2 1 355.551 4.193 20 0 FIADMP Clc1ccccc1-c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325582 1094888939 /nfs/dbraw/zinc/88/89/39/1094888939.db2.gz IVQSLXDWZDTNJP-HUUCEWRRSA-N 2 1 361.942 4.285 20 0 FIADMP CCn1c2ccccc2n(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1=S ZINC000738090347 1095051399 /nfs/dbraw/zinc/05/13/99/1095051399.db2.gz PRXROLBHJLLTOZ-UHFFFAOYSA-N 2 1 360.571 4.202 20 0 FIADMP CCn1c2ccccc2n(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1=S ZINC000738090347 1095051413 /nfs/dbraw/zinc/05/14/13/1095051413.db2.gz PRXROLBHJLLTOZ-UHFFFAOYSA-N 2 1 360.571 4.202 20 0 FIADMP CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420948220 1095188660 /nfs/dbraw/zinc/18/86/60/1095188660.db2.gz PHSANCFIRVNQCP-LJQANCHMSA-N 2 1 368.521 4.157 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C2CC2)cc1 ZINC000420981082 1095207943 /nfs/dbraw/zinc/20/79/43/1095207943.db2.gz XWNRGHWVUPMGQA-GOSISDBHSA-N 2 1 350.506 4.247 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000502277583 1095297482 /nfs/dbraw/zinc/29/74/82/1095297482.db2.gz BIPWEYMVFHKNQH-KNQAVFIVSA-N 2 1 356.554 4.500 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000502469992 1095497968 /nfs/dbraw/zinc/49/79/68/1095497968.db2.gz DMCSBZQJLXXDDZ-IPMKNSEASA-N 2 1 374.569 4.186 20 0 FIADMP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1 ZINC000502753773 1095787314 /nfs/dbraw/zinc/78/73/14/1095787314.db2.gz QPOFORWCSHAPEV-UHFFFAOYSA-N 2 1 350.466 4.127 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1 ZINC000502753773 1095787327 /nfs/dbraw/zinc/78/73/27/1095787327.db2.gz QPOFORWCSHAPEV-UHFFFAOYSA-N 2 1 350.466 4.127 20 0 FIADMP CCC(CC)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000655703666 1095920165 /nfs/dbraw/zinc/92/01/65/1095920165.db2.gz SVQAMIDELJTTBA-AZUAARDMSA-N 2 1 350.572 4.458 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421822763 1095936163 /nfs/dbraw/zinc/93/61/63/1095936163.db2.gz BHZVHKIHPZNHDT-BBWFWOEESA-N 2 1 373.928 4.195 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)cs1 ZINC000503002527 1096011168 /nfs/dbraw/zinc/01/11/68/1096011168.db2.gz CPYYDBAQEKLWOR-TZIWHRDSSA-N 2 1 369.578 4.311 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000503086089 1096059421 /nfs/dbraw/zinc/05/94/21/1096059421.db2.gz JLWRSUQGQTWULG-UHFFFAOYSA-N 2 1 367.468 4.432 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000503086089 1096059433 /nfs/dbraw/zinc/05/94/33/1096059433.db2.gz JLWRSUQGQTWULG-UHFFFAOYSA-N 2 1 367.468 4.432 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000271556249 1096091376 /nfs/dbraw/zinc/09/13/76/1096091376.db2.gz VURUFMJIHVHHHD-QFBILLFUSA-N 2 1 371.550 4.276 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)s2)cc1 ZINC000271817149 1096131246 /nfs/dbraw/zinc/13/12/46/1096131246.db2.gz BSGUNQHTZLXYGZ-CQSZACIVSA-N 2 1 357.523 4.040 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414662433 1096371951 /nfs/dbraw/zinc/37/19/51/1096371951.db2.gz QFNRHQAIUWOBTI-UYAOXDASSA-N 2 1 360.505 4.017 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422695372 1096454999 /nfs/dbraw/zinc/45/49/99/1096454999.db2.gz PRMBDAAMYLCXET-DFNIBXOVSA-N 2 1 367.493 4.035 20 0 FIADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422869546 1096516131 /nfs/dbraw/zinc/51/61/31/1096516131.db2.gz ANMVREDDQPARLX-BRWVUGGUSA-N 2 1 368.468 4.087 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893445 1096524626 /nfs/dbraw/zinc/52/46/26/1096524626.db2.gz QPOVVOJNPOSJAY-SDDRHHMPSA-N 2 1 368.344 4.349 20 0 FIADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Sc1ccc(Br)cc1 ZINC000422959551 1096540559 /nfs/dbraw/zinc/54/05/59/1096540559.db2.gz SRJLKQVJWXYYHG-VXGBXAGGSA-N 2 1 366.328 4.088 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NCCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000414713306 1096557164 /nfs/dbraw/zinc/55/71/64/1096557164.db2.gz OPMXZGRNOSECBE-LJQANCHMSA-N 2 1 372.557 4.105 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000414713360 1096557411 /nfs/dbraw/zinc/55/74/11/1096557411.db2.gz OYUWPWHAAZFUJQ-GOSISDBHSA-N 2 1 372.557 4.044 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043649 1096558809 /nfs/dbraw/zinc/55/88/09/1096558809.db2.gz PKVOJNLYRYQHCA-KJJMTIBFSA-N 2 1 371.475 4.223 20 0 FIADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423052681 1096565197 /nfs/dbraw/zinc/56/51/97/1096565197.db2.gz RBDKZQCXJQREKU-XOKHGSTOSA-N 2 1 359.514 4.304 20 0 FIADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503855339 1096567724 /nfs/dbraw/zinc/56/77/24/1096567724.db2.gz CZFCJZQYJOJPAS-JCHJZTRSSA-N 2 1 352.469 4.180 20 0 FIADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503855339 1096567728 /nfs/dbraw/zinc/56/77/28/1096567728.db2.gz CZFCJZQYJOJPAS-JCHJZTRSSA-N 2 1 352.469 4.180 20 0 FIADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092268 1096572306 /nfs/dbraw/zinc/57/23/06/1096572306.db2.gz BEOPSRGASPKQHZ-HSCHXYMDSA-N 2 1 362.439 4.500 20 0 FIADMP C[C@@H]([NH2+]CC1(c2ccccc2Br)CCC1)c1c[nH+]ccc1N ZINC000423138864 1096593556 /nfs/dbraw/zinc/59/35/56/1096593556.db2.gz YLRDSDCRMBDECK-CYBMUJFWSA-N 2 1 360.299 4.029 20 0 FIADMP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423163032 1096598413 /nfs/dbraw/zinc/59/84/13/1096598413.db2.gz MEVQFNKXEAKPAR-OBJCFNGXSA-N 2 1 362.945 4.113 20 0 FIADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000414720328 1096601229 /nfs/dbraw/zinc/60/12/29/1096601229.db2.gz BRZHWOMHINJLFW-FQEVSTJZSA-N 2 1 356.535 4.209 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423217443 1096620307 /nfs/dbraw/zinc/62/03/07/1096620307.db2.gz UFIJHYCIMWHBDC-OCCSQVGLSA-N 2 1 367.324 4.138 20 0 FIADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1csc(-c2ccccc2F)n1 ZINC000423372166 1096652008 /nfs/dbraw/zinc/65/20/08/1096652008.db2.gz GVPDJOOIBYTXCO-ZDUSSCGKSA-N 2 1 353.466 4.403 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CC[NH2+]1 ZINC000423377784 1096659221 /nfs/dbraw/zinc/65/92/21/1096659221.db2.gz KJIXGZHVOBQWJI-MDASCCDHSA-N 2 1 359.311 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CC[NH2+]1 ZINC000423377775 1096659577 /nfs/dbraw/zinc/65/95/77/1096659577.db2.gz KJIXGZHVOBQWJI-CCKFTAQKSA-N 2 1 359.311 4.269 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC[NH2+]1 ZINC000423387592 1096664116 /nfs/dbraw/zinc/66/41/16/1096664116.db2.gz SOGBFEJHESTRII-CKUKBARFSA-N 2 1 357.723 4.284 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000509975644 1096667025 /nfs/dbraw/zinc/66/70/25/1096667025.db2.gz BYYATNRQSSGNEW-UHFFFAOYSA-N 2 1 353.441 4.090 20 0 FIADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423447468 1096679085 /nfs/dbraw/zinc/67/90/85/1096679085.db2.gz PBSCCJAANYYHGU-AXFHLTTASA-N 2 1 368.344 4.267 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423506991 1096702495 /nfs/dbraw/zinc/70/24/95/1096702495.db2.gz JFWPHBDSZAOXDD-YKSBVNFPSA-N 2 1 365.565 4.152 20 0 FIADMP Cc1ccc([C@H](NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C2CCC2)o1 ZINC000423580197 1096724753 /nfs/dbraw/zinc/72/47/53/1096724753.db2.gz XIPWQGMQVBFQCP-JOCHJYFZSA-N 2 1 367.537 4.012 20 0 FIADMP O[C@@H]1CCCC[C@H]1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647889 1098803658 /nfs/dbraw/zinc/80/36/58/1098803658.db2.gz FDZJVKPRHORSAC-BHDDXSALSA-N 2 1 356.554 4.105 20 0 FIADMP O[C@@H]1CCCC[C@H]1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647889 1098803675 /nfs/dbraw/zinc/80/36/75/1098803675.db2.gz FDZJVKPRHORSAC-BHDDXSALSA-N 2 1 356.554 4.105 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650115 1098805674 /nfs/dbraw/zinc/80/56/74/1098805674.db2.gz JFMUTVYOWHAATP-RTWAWAEBSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650115 1098805693 /nfs/dbraw/zinc/80/56/93/1098805693.db2.gz JFMUTVYOWHAATP-RTWAWAEBSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]([N@@H+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650115 1098805710 /nfs/dbraw/zinc/80/57/10/1098805710.db2.gz JFMUTVYOWHAATP-RTWAWAEBSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]([N@H+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650115 1098805729 /nfs/dbraw/zinc/80/57/29/1098805729.db2.gz JFMUTVYOWHAATP-RTWAWAEBSA-N 2 1 356.579 4.403 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1F ZINC000436285737 1098886894 /nfs/dbraw/zinc/88/68/94/1098886894.db2.gz QGKIZFINYCLCAG-UHFFFAOYSA-N 2 1 352.388 4.230 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288031 1098903891 /nfs/dbraw/zinc/90/38/91/1098903891.db2.gz DNISEZHZTMEHJA-OXQOHEQNSA-N 2 1 366.534 4.281 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288031 1098903892 /nfs/dbraw/zinc/90/38/92/1098903892.db2.gz DNISEZHZTMEHJA-OXQOHEQNSA-N 2 1 366.534 4.281 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436403976 1098992566 /nfs/dbraw/zinc/99/25/66/1098992566.db2.gz AUWJAMPAECOLIU-SJLPKXTDSA-N 2 1 351.469 4.307 20 0 FIADMP Cc1ccc2c(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn(C)c2c1 ZINC000436418397 1099000059 /nfs/dbraw/zinc/00/00/59/1099000059.db2.gz WPOSLIVOEJQSMO-UHFFFAOYSA-N 2 1 361.533 4.283 20 0 FIADMP CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000516118037 1099197322 /nfs/dbraw/zinc/19/73/22/1099197322.db2.gz RFWVBNSYCURFTR-UHFFFAOYSA-N 2 1 352.482 4.062 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cncc(Br)c1 ZINC000578084186 1099306233 /nfs/dbraw/zinc/30/62/33/1099306233.db2.gz RWAJOSHBODEEOV-LSDHHAIUSA-N 2 1 354.336 4.149 20 0 FIADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247130974 1099384614 /nfs/dbraw/zinc/38/46/14/1099384614.db2.gz NTTFGWOYGAMTCL-SJORKVTESA-N 2 1 350.466 4.091 20 0 FIADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247130974 1099384629 /nfs/dbraw/zinc/38/46/29/1099384629.db2.gz NTTFGWOYGAMTCL-SJORKVTESA-N 2 1 350.466 4.091 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000437086472 1099607239 /nfs/dbraw/zinc/60/72/39/1099607239.db2.gz RJPIYBMVUNZNCI-JHMKDJTOSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000437086472 1099607243 /nfs/dbraw/zinc/60/72/43/1099607243.db2.gz RJPIYBMVUNZNCI-JHMKDJTOSA-N 2 1 366.480 4.150 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)C(C)(C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000162227365 1099663087 /nfs/dbraw/zinc/66/30/87/1099663087.db2.gz GNKCLVFHQUCSGZ-QGZVFWFLSA-N 2 1 352.526 4.018 20 0 FIADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162303626 1099682703 /nfs/dbraw/zinc/68/27/03/1099682703.db2.gz BNDORCBYOHRJAR-AWEZNQCLSA-N 2 1 374.916 4.075 20 0 FIADMP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000262629016 1099726944 /nfs/dbraw/zinc/72/69/44/1099726944.db2.gz GPUSRTCGZZSDQK-LAUBAEHRSA-N 2 1 351.494 4.008 20 0 FIADMP Cc1ccc([C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000508709537 1099876390 /nfs/dbraw/zinc/87/63/90/1099876390.db2.gz HSMJTJIAJZXKGI-QDSKXPNFSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709537 1099876400 /nfs/dbraw/zinc/87/64/00/1099876400.db2.gz HSMJTJIAJZXKGI-QDSKXPNFSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709537 1099876407 /nfs/dbraw/zinc/87/64/07/1099876407.db2.gz HSMJTJIAJZXKGI-QDSKXPNFSA-N 2 1 365.565 4.098 20 0 FIADMP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714335 1099882557 /nfs/dbraw/zinc/88/25/57/1099882557.db2.gz GZLDRXFFPUILJB-WSTZPKSXSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@H]([NH2+]CCCCN(C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715621 1099885112 /nfs/dbraw/zinc/88/51/12/1099885112.db2.gz DRVUWMFURVRBBB-GMAHTHKFSA-N 2 1 365.565 4.403 20 0 FIADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000508714822 1099885783 /nfs/dbraw/zinc/88/57/83/1099885783.db2.gz CAAKPCUOZVVPQH-PMOQBDJRSA-N 2 1 351.538 4.321 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713936 1099886205 /nfs/dbraw/zinc/88/62/05/1099886205.db2.gz AQHMRHPIGYHDDE-XLIONFOSSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709976 1099898912 /nfs/dbraw/zinc/89/89/12/1099898912.db2.gz KNQCSAZHQMXPGQ-VXSCBNMQSA-N 2 1 358.570 4.328 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712589 1099903041 /nfs/dbraw/zinc/90/30/41/1099903041.db2.gz DDVFWYFSRCVUTK-APWZRJJASA-N 2 1 358.913 4.349 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712589 1099903042 /nfs/dbraw/zinc/90/30/42/1099903042.db2.gz DDVFWYFSRCVUTK-APWZRJJASA-N 2 1 358.913 4.349 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc4c(s3)CCC4)CC2)oc1C ZINC000162755657 1099989490 /nfs/dbraw/zinc/98/94/90/1099989490.db2.gz GALYWZRPQRCDKN-OAHLLOKOSA-N 2 1 373.566 4.404 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698534 1100201076 /nfs/dbraw/zinc/20/10/76/1100201076.db2.gz QBDRINRROQOJLJ-OAQYLSRUSA-N 2 1 365.521 4.346 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698534 1100201085 /nfs/dbraw/zinc/20/10/85/1100201085.db2.gz QBDRINRROQOJLJ-OAQYLSRUSA-N 2 1 365.521 4.346 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698534 1100201095 /nfs/dbraw/zinc/20/10/95/1100201095.db2.gz QBDRINRROQOJLJ-OAQYLSRUSA-N 2 1 365.521 4.346 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698534 1100201103 /nfs/dbraw/zinc/20/11/03/1100201103.db2.gz QBDRINRROQOJLJ-OAQYLSRUSA-N 2 1 365.521 4.346 20 0 FIADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccccc1Br ZINC000191486009 1100245250 /nfs/dbraw/zinc/24/52/50/1100245250.db2.gz RGDKQIQZCGODEC-UHFFFAOYSA-N 2 1 350.304 4.120 20 0 FIADMP CCCn1ccnc1CCCN(C)Cc1ccccc1Br ZINC000191486009 1100245258 /nfs/dbraw/zinc/24/52/58/1100245258.db2.gz RGDKQIQZCGODEC-UHFFFAOYSA-N 2 1 350.304 4.120 20 0 FIADMP Cc1noc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459517729 1100256846 /nfs/dbraw/zinc/25/68/46/1100256846.db2.gz FWZPPSALFOUYMV-NRFANRHFSA-N 2 1 368.525 4.035 20 0 FIADMP c1cn(CC[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000459528960 1100276802 /nfs/dbraw/zinc/27/68/02/1100276802.db2.gz ROIRVIOMHWELIE-QHCPKHFHSA-N 2 1 366.553 4.040 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655255 1100282620 /nfs/dbraw/zinc/28/26/20/1100282620.db2.gz LBOQJVOQOMLZOR-FUHIMQAGSA-N 2 1 352.478 4.119 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655255 1100282635 /nfs/dbraw/zinc/28/26/35/1100282635.db2.gz LBOQJVOQOMLZOR-FUHIMQAGSA-N 2 1 352.478 4.119 20 0 FIADMP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000536824977 1100341668 /nfs/dbraw/zinc/34/16/68/1100341668.db2.gz DZUYQYPSVRWLJS-PKOBYXMFSA-N 2 1 354.494 4.102 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834949 1100345920 /nfs/dbraw/zinc/34/59/20/1100345920.db2.gz YUAWAHMAUFSGAA-UYAOXDASSA-N 2 1 354.542 4.199 20 0 FIADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cc4c(cccc4F)[nH]3)C1)CCCC2 ZINC000437983450 1100348327 /nfs/dbraw/zinc/34/83/27/1100348327.db2.gz XTZWGHGUSSARNG-INIZCTEOSA-N 2 1 352.457 4.138 20 0 FIADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cc4c(cccc4F)[nH]3)C1)CCCC2 ZINC000437983450 1100348337 /nfs/dbraw/zinc/34/83/37/1100348337.db2.gz XTZWGHGUSSARNG-INIZCTEOSA-N 2 1 352.457 4.138 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000536841801 1100352343 /nfs/dbraw/zinc/35/23/43/1100352343.db2.gz UMINIMSSUQDSKW-CVDCTZTESA-N 2 1 374.532 4.230 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000536841801 1100352357 /nfs/dbraw/zinc/35/23/57/1100352357.db2.gz UMINIMSSUQDSKW-CVDCTZTESA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000536831252 1100370091 /nfs/dbraw/zinc/37/00/91/1100370091.db2.gz GVMBOJVPWFZMDZ-CKEIUWERSA-N 2 1 353.348 4.045 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2cccs2)C2CCCC2)C[C@H](C)O1 ZINC000536857272 1100372546 /nfs/dbraw/zinc/37/25/46/1100372546.db2.gz KRFVCJUJJSJAEA-QKLQHJQFSA-N 2 1 350.572 4.458 20 0 FIADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(Br)c1 ZINC000536866408 1100383588 /nfs/dbraw/zinc/38/35/88/1100383588.db2.gz ZWMSMGUAQSTSAN-GUYCJALGSA-N 2 1 350.304 4.331 20 0 FIADMP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438109084 1100435064 /nfs/dbraw/zinc/43/50/64/1100435064.db2.gz INDUQASHGORLEB-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438109084 1100435067 /nfs/dbraw/zinc/43/50/67/1100435067.db2.gz INDUQASHGORLEB-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438109084 1100435074 /nfs/dbraw/zinc/43/50/74/1100435074.db2.gz INDUQASHGORLEB-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438109084 1100435079 /nfs/dbraw/zinc/43/50/79/1100435079.db2.gz INDUQASHGORLEB-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000517535590 1100473696 /nfs/dbraw/zinc/47/36/96/1100473696.db2.gz JTURDHIOZBHMKH-HDICACEKSA-N 2 1 366.505 4.183 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000517535590 1100473700 /nfs/dbraw/zinc/47/37/00/1100473700.db2.gz JTURDHIOZBHMKH-HDICACEKSA-N 2 1 366.505 4.183 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000467366036 1100475363 /nfs/dbraw/zinc/47/53/63/1100475363.db2.gz UATJOYPVGKLMNT-ZHRRBRCNSA-N 2 1 353.485 4.487 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517537223 1100475655 /nfs/dbraw/zinc/47/56/55/1100475655.db2.gz LXNXNELSYIBOBT-KDURUIRLSA-N 2 1 368.569 4.337 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218635 1100515841 /nfs/dbraw/zinc/51/58/41/1100515841.db2.gz VXCRERPKWVLTMU-OTWHNJEPSA-N 2 1 372.475 4.407 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218635 1100515844 /nfs/dbraw/zinc/51/58/44/1100515844.db2.gz VXCRERPKWVLTMU-OTWHNJEPSA-N 2 1 372.475 4.407 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000517786479 1100668396 /nfs/dbraw/zinc/66/83/96/1100668396.db2.gz YSOAZXIOJABPDP-MRXNPFEDSA-N 2 1 374.475 4.129 20 0 FIADMP CCC(CC)(C[NH2+]C1CCC(C(=O)OC)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000426018720 1100672635 /nfs/dbraw/zinc/67/26/35/1100672635.db2.gz CNVNGCXPSXASIE-KKXNLOMOSA-N 2 1 360.542 4.217 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000438574063 1100762767 /nfs/dbraw/zinc/76/27/67/1100762767.db2.gz RHRDMKZPNVHQFH-UHFFFAOYSA-N 2 1 367.537 4.275 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414944909 1100885081 /nfs/dbraw/zinc/88/50/81/1100885081.db2.gz HPOKXHWLGXAIJB-SWLSCSKDSA-N 2 1 357.361 4.180 20 0 FIADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152743 1100950929 /nfs/dbraw/zinc/95/09/29/1100950929.db2.gz WQSMCTMZHMTGGT-APWZRJJASA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152743 1100950935 /nfs/dbraw/zinc/95/09/35/1100950935.db2.gz WQSMCTMZHMTGGT-APWZRJJASA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152743 1100950938 /nfs/dbraw/zinc/95/09/38/1100950938.db2.gz WQSMCTMZHMTGGT-APWZRJJASA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152743 1100950940 /nfs/dbraw/zinc/95/09/40/1100950940.db2.gz WQSMCTMZHMTGGT-APWZRJJASA-N 2 1 374.550 4.108 20 0 FIADMP Cc1ccc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000438846343 1100974785 /nfs/dbraw/zinc/97/47/85/1100974785.db2.gz ASAKFBQHTXUVCA-FPOVZHCZSA-N 2 1 351.538 4.379 20 0 FIADMP CC(C)[N@@H+](Cc1ccco1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506414702 1100988019 /nfs/dbraw/zinc/98/80/19/1100988019.db2.gz DXAVXYQESHOCES-UHFFFAOYSA-N 2 1 355.526 4.221 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000536888169 1101305497 /nfs/dbraw/zinc/30/54/97/1101305497.db2.gz SZXLUTHCCGKYLC-UHFFFAOYSA-N 2 1 373.585 4.268 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000536888169 1101305510 /nfs/dbraw/zinc/30/55/10/1101305510.db2.gz SZXLUTHCCGKYLC-UHFFFAOYSA-N 2 1 373.585 4.268 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000506610597 1101542318 /nfs/dbraw/zinc/54/23/18/1101542318.db2.gz JEBZPGKTFFEZGL-UHFFFAOYSA-N 2 1 372.340 4.127 20 0 FIADMP Cn1cnc2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202875 1101554471 /nfs/dbraw/zinc/55/44/71/1101554471.db2.gz CBPXYUQCRYLGNF-GGAORHGYSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202875 1101554477 /nfs/dbraw/zinc/55/44/77/1101554477.db2.gz CBPXYUQCRYLGNF-GGAORHGYSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202875 1101554483 /nfs/dbraw/zinc/55/44/83/1101554483.db2.gz CBPXYUQCRYLGNF-GGAORHGYSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202875 1101554492 /nfs/dbraw/zinc/55/44/92/1101554492.db2.gz CBPXYUQCRYLGNF-GGAORHGYSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202875 1101554503 /nfs/dbraw/zinc/55/45/03/1101554503.db2.gz CBPXYUQCRYLGNF-GGAORHGYSA-N 2 1 374.532 4.060 20 0 FIADMP Cc1cc(N2CCC([NH2+]CC3CCC(C(F)(F)F)CC3)CC2)nc(C)[nH+]1 ZINC000183727019 1101633494 /nfs/dbraw/zinc/63/34/94/1101633494.db2.gz HYOKBSXPKCIYFL-UHFFFAOYSA-N 2 1 370.463 4.021 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000537359319 1101714228 /nfs/dbraw/zinc/71/42/28/1101714228.db2.gz YFMVUXHAANEQRD-JQVVWYNYSA-N 2 1 356.510 4.097 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000537448160 1101791072 /nfs/dbraw/zinc/79/10/72/1101791072.db2.gz JLEFQVUEDDCZJU-OAHLLOKOSA-N 2 1 361.445 4.249 20 0 FIADMP Cn1cncc1CCN(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000298164023 1101843808 /nfs/dbraw/zinc/84/38/08/1101843808.db2.gz STDKJWUIMWZICX-UHFFFAOYSA-N 2 1 374.410 4.079 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476884 1102235269 /nfs/dbraw/zinc/23/52/69/1102235269.db2.gz FAMVMPNLSSAJLU-XMMPIXPASA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476884 1102235278 /nfs/dbraw/zinc/23/52/78/1102235278.db2.gz FAMVMPNLSSAJLU-XMMPIXPASA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476884 1102235288 /nfs/dbraw/zinc/23/52/88/1102235288.db2.gz FAMVMPNLSSAJLU-XMMPIXPASA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476884 1102235301 /nfs/dbraw/zinc/23/53/01/1102235301.db2.gz FAMVMPNLSSAJLU-XMMPIXPASA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476884 1102235308 /nfs/dbraw/zinc/23/53/08/1102235308.db2.gz FAMVMPNLSSAJLU-XMMPIXPASA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc([C@H](CC2CC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000532442340 1102330146 /nfs/dbraw/zinc/33/01/46/1102330146.db2.gz PYZMISXSXIQJGU-QHCPKHFHSA-N 2 1 350.506 4.150 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000121238578 1102354224 /nfs/dbraw/zinc/35/42/24/1102354224.db2.gz JWXOKLWDAQWERD-MOPGFXCFSA-N 2 1 352.522 4.262 20 0 FIADMP Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)c(C)n2n1 ZINC000091735145 1102410546 /nfs/dbraw/zinc/41/05/46/1102410546.db2.gz SZVLRUNQJNIWGW-JKSUJKDBSA-N 2 1 374.492 4.252 20 0 FIADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2c1 ZINC001167969873 1102415410 /nfs/dbraw/zinc/41/54/10/1102415410.db2.gz HGJADYKWFGHOMT-XVSDAANHSA-N 2 1 351.538 4.417 20 0 FIADMP c1cc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cs2)co1 ZINC000121714990 1102442362 /nfs/dbraw/zinc/44/23/62/1102442362.db2.gz LZFHJONJLYKQSD-UHFFFAOYSA-N 2 1 359.539 4.491 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000532525385 1102442985 /nfs/dbraw/zinc/44/29/85/1102442985.db2.gz VERIKLWOAFHMTE-SJORKVTESA-N 2 1 365.477 4.307 20 0 FIADMP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000532529283 1102445066 /nfs/dbraw/zinc/44/50/66/1102445066.db2.gz OVWANWQSGTUIGK-QGZVFWFLSA-N 2 1 358.501 4.345 20 0 FIADMP [NH2+]=C(Cc1cccc(C(F)(F)F)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973411 1102544214 /nfs/dbraw/zinc/54/42/14/1102544214.db2.gz JZOMJGNDWHYIAB-AYHJJNSGSA-N 2 1 365.443 4.220 20 0 FIADMP [NH3+][C@@H]1CCc2c3cc(F)ccc3n(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2C1 ZINC001167974337 1102545904 /nfs/dbraw/zinc/54/59/04/1102545904.db2.gz WQOUAUMHGAVTIU-KAKFPZCNSA-N 2 1 367.512 4.174 20 0 FIADMP CC1(C)C[N@@H+](CCc2cscn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835664 1102648281 /nfs/dbraw/zinc/64/82/81/1102648281.db2.gz FQLBUWPFTWCMLX-OAQYLSRUSA-N 2 1 369.578 4.308 20 0 FIADMP CC1(C)C[N@@H+](CCc2cscn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835661 1102648677 /nfs/dbraw/zinc/64/86/77/1102648677.db2.gz FQLBUWPFTWCMLX-NRFANRHFSA-N 2 1 369.578 4.308 20 0 FIADMP C[C@@H]1C[C@H]([N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000664835002 1102655429 /nfs/dbraw/zinc/65/54/29/1102655429.db2.gz BSRMMHKOZBMHCS-QIJUGHKUSA-N 2 1 356.554 4.177 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC001168252697 1102661898 /nfs/dbraw/zinc/66/18/98/1102661898.db2.gz QSCHCAKQHRZNSQ-UHFFFAOYSA-N 2 1 368.565 4.453 20 0 FIADMP CN(c1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000537649684 1102684220 /nfs/dbraw/zinc/68/42/20/1102684220.db2.gz VOCWBGUMCAFOHV-FCHUYYIVSA-N 2 1 373.610 4.077 20 0 FIADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001167975878 1102685686 /nfs/dbraw/zinc/68/56/86/1102685686.db2.gz YSFLJWKJLVALRF-CWAQXLGLSA-N 3 1 373.629 4.274 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000537652434 1102729208 /nfs/dbraw/zinc/72/92/08/1102729208.db2.gz UXRWEUPQOAIUMZ-ICSRJNTNSA-N 2 1 368.569 4.108 20 0 FIADMP CN1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000551051008 1102864904 /nfs/dbraw/zinc/86/49/04/1102864904.db2.gz MFANXCOBLBXERG-YADHBBJMSA-N 2 1 350.506 4.401 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694553 1102876158 /nfs/dbraw/zinc/87/61/58/1102876158.db2.gz MKMVTLQGCGWRLJ-QFUCXCTJSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694553 1102876168 /nfs/dbraw/zinc/87/61/68/1102876168.db2.gz MKMVTLQGCGWRLJ-QFUCXCTJSA-N 2 1 374.912 4.284 20 0 FIADMP CC1(C)CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271809 1102904199 /nfs/dbraw/zinc/90/41/99/1102904199.db2.gz XIMBYRNLJCAVDM-FCHUYYIVSA-N 2 1 370.581 4.474 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000551174576 1102948707 /nfs/dbraw/zinc/94/87/07/1102948707.db2.gz DNYDGNDSBRXOCU-FGZHOGPDSA-N 2 1 352.522 4.497 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000551174576 1102948709 /nfs/dbraw/zinc/94/87/09/1102948709.db2.gz DNYDGNDSBRXOCU-FGZHOGPDSA-N 2 1 352.522 4.497 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551175392 1102950137 /nfs/dbraw/zinc/95/01/37/1102950137.db2.gz IGXVCXLKQKSYQB-YYWHXJBOSA-N 2 1 354.469 4.247 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551175392 1102950138 /nfs/dbraw/zinc/95/01/38/1102950138.db2.gz IGXVCXLKQKSYQB-YYWHXJBOSA-N 2 1 354.469 4.247 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697491 1102979812 /nfs/dbraw/zinc/97/98/12/1102979812.db2.gz RTGKFDRUFLABQU-MAUKXSAKSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697491 1102979819 /nfs/dbraw/zinc/97/98/19/1102979819.db2.gz RTGKFDRUFLABQU-MAUKXSAKSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000537697491 1102979822 /nfs/dbraw/zinc/97/98/22/1102979822.db2.gz RTGKFDRUFLABQU-MAUKXSAKSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000537697491 1102979832 /nfs/dbraw/zinc/97/98/32/1102979832.db2.gz RTGKFDRUFLABQU-MAUKXSAKSA-N 2 1 354.416 4.034 20 0 FIADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476989347 1102993339 /nfs/dbraw/zinc/99/33/39/1102993339.db2.gz UUWAPCPDIRRYNR-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476989347 1102993343 /nfs/dbraw/zinc/99/33/43/1102993343.db2.gz UUWAPCPDIRRYNR-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476989346 1102993678 /nfs/dbraw/zinc/99/36/78/1102993678.db2.gz UUWAPCPDIRRYNR-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476989346 1102993683 /nfs/dbraw/zinc/99/36/83/1102993683.db2.gz UUWAPCPDIRRYNR-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1ccc2nc(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246036 1103001163 /nfs/dbraw/zinc/00/11/63/1103001163.db2.gz PUUSGNMGPZUZDC-FPOVZHCZSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476985652 1103004473 /nfs/dbraw/zinc/00/44/73/1103004473.db2.gz OJTFPMZTAADFNR-UXHICEINSA-N 2 1 371.569 4.014 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459382533 1103107532 /nfs/dbraw/zinc/10/75/32/1103107532.db2.gz WHACABIEAWFWJP-QGZVFWFLSA-N 2 1 363.505 4.216 20 0 FIADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)c2)CC1 ZINC000551547504 1103344076 /nfs/dbraw/zinc/34/40/76/1103344076.db2.gz PJEWQUBGKKXCJA-UHFFFAOYSA-N 2 1 366.553 4.296 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)cn2c1 ZINC000551556271 1103354167 /nfs/dbraw/zinc/35/41/67/1103354167.db2.gz QSVYIDKQBGNCPT-LJQANCHMSA-N 2 1 362.521 4.307 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)cn2c1 ZINC000551556271 1103354180 /nfs/dbraw/zinc/35/41/80/1103354180.db2.gz QSVYIDKQBGNCPT-LJQANCHMSA-N 2 1 362.521 4.307 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OCC ZINC000666997100 1103363792 /nfs/dbraw/zinc/36/37/92/1103363792.db2.gz WZSCVVOGQOJSHK-INIZCTEOSA-N 2 1 366.933 4.292 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000507485671 1103433300 /nfs/dbraw/zinc/43/33/00/1103433300.db2.gz UZJXHYILLWOSRL-MOXGXCLJSA-N 2 1 355.551 4.329 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000507485671 1103433307 /nfs/dbraw/zinc/43/33/07/1103433307.db2.gz UZJXHYILLWOSRL-MOXGXCLJSA-N 2 1 355.551 4.329 20 0 FIADMP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(-c2ccccc2)o1 ZINC000507515890 1103441921 /nfs/dbraw/zinc/44/19/21/1103441921.db2.gz VQHFGHLEQOIJFE-BHDDXSALSA-N 2 1 373.500 4.342 20 0 FIADMP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(-c2ccccc2)o1 ZINC000507515890 1103441927 /nfs/dbraw/zinc/44/19/27/1103441927.db2.gz VQHFGHLEQOIJFE-BHDDXSALSA-N 2 1 373.500 4.342 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCc4ccc5ccccc5n4)[C@@H]3C2)cc1 ZINC000507519018 1103463967 /nfs/dbraw/zinc/46/39/67/1103463967.db2.gz GQZBXBDWPMVYMT-QQKQFIJSSA-N 2 1 371.528 4.278 20 0 FIADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000312010637 1103831051 /nfs/dbraw/zinc/83/10/51/1103831051.db2.gz RSYITHVEBYTHCC-CVDCTZTESA-N 2 1 350.506 4.271 20 0 FIADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)C1 ZINC000519777708 1103864268 /nfs/dbraw/zinc/86/42/68/1103864268.db2.gz WSCKNQAVNCCTJZ-FQEVSTJZSA-N 2 1 374.532 4.197 20 0 FIADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)C1 ZINC000519777708 1103864281 /nfs/dbraw/zinc/86/42/81/1103864281.db2.gz WSCKNQAVNCCTJZ-FQEVSTJZSA-N 2 1 374.532 4.197 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@H](C)C1 ZINC000440688627 1103889393 /nfs/dbraw/zinc/88/93/93/1103889393.db2.gz GSRRJAVXKIBUAJ-UYAOXDASSA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@H](C)C1 ZINC000440688627 1103889403 /nfs/dbraw/zinc/88/94/03/1103889403.db2.gz GSRRJAVXKIBUAJ-UYAOXDASSA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@H](C)C1 ZINC000440688627 1103889414 /nfs/dbraw/zinc/88/94/14/1103889414.db2.gz GSRRJAVXKIBUAJ-UYAOXDASSA-N 2 1 362.521 4.163 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)CC1 ZINC000188267650 1104131123 /nfs/dbraw/zinc/13/11/23/1104131123.db2.gz OWDYREAGLUSSCY-XVAXZDLZSA-N 2 1 370.516 4.271 20 0 FIADMP COc1ccc(Br)cc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000520205056 1104171214 /nfs/dbraw/zinc/17/12/14/1104171214.db2.gz QYSKMRGMVFLBLH-OAHLLOKOSA-N 2 1 369.347 4.202 20 0 FIADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246885626 1104211249 /nfs/dbraw/zinc/21/12/49/1104211249.db2.gz FCVWDAWMIHZSOM-FUDKSRODSA-N 2 1 368.496 4.335 20 0 FIADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427591164 1104974539 /nfs/dbraw/zinc/97/45/39/1104974539.db2.gz HOTLYOJWDNGMLP-KRWDZBQOSA-N 2 1 355.448 4.189 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c4ccccc34)C2)CC1 ZINC000520561121 1104997999 /nfs/dbraw/zinc/99/79/99/1104997999.db2.gz WYWGOTOZWMRXCG-LJQANCHMSA-N 2 1 371.956 4.094 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228715068 1105035271 /nfs/dbraw/zinc/03/52/71/1105035271.db2.gz HZIIFEYBSCCXNO-LJQANCHMSA-N 2 1 373.585 4.157 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228715068 1105035277 /nfs/dbraw/zinc/03/52/77/1105035277.db2.gz HZIIFEYBSCCXNO-LJQANCHMSA-N 2 1 373.585 4.157 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228715068 1105035283 /nfs/dbraw/zinc/03/52/83/1105035283.db2.gz HZIIFEYBSCCXNO-LJQANCHMSA-N 2 1 373.585 4.157 20 0 FIADMP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394307 1105075642 /nfs/dbraw/zinc/07/56/42/1105075642.db2.gz QEVKVYHOLCHCOX-MAUKXSAKSA-N 2 1 353.535 4.261 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009140 1105208404 /nfs/dbraw/zinc/20/84/04/1105208404.db2.gz HAKOLKNKABZTPB-IYRWYFENSA-N 2 1 352.522 4.141 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427691399 1105247987 /nfs/dbraw/zinc/24/79/87/1105247987.db2.gz UMZPIJBVVYCSNL-PBHICJAKSA-N 2 1 355.448 4.188 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427691399 1105247989 /nfs/dbraw/zinc/24/79/89/1105247989.db2.gz UMZPIJBVVYCSNL-PBHICJAKSA-N 2 1 355.448 4.188 20 0 FIADMP C[C@H](CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)[NH+]1CCCCC1 ZINC000427870537 1105305956 /nfs/dbraw/zinc/30/59/56/1105305956.db2.gz ZREHRZYSWAASDN-PBHICJAKSA-N 2 1 355.448 4.332 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000390964807 1106782466 /nfs/dbraw/zinc/78/24/66/1106782466.db2.gz OLYFJHGBHNKGCM-HSZRJFAPSA-N 2 1 364.533 4.054 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000390964807 1106782482 /nfs/dbraw/zinc/78/24/82/1106782482.db2.gz OLYFJHGBHNKGCM-HSZRJFAPSA-N 2 1 364.533 4.054 20 0 FIADMP C[C@@H]1CC([N@H+](C2CCC2)C2CCOCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063970 1106827733 /nfs/dbraw/zinc/82/77/33/1106827733.db2.gz FUXVMSGHXOBFND-RTBURBONSA-N 2 1 356.554 4.462 20 0 FIADMP C[C@@H]1CC([N@@H+](C2CCC2)C2CCOCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063970 1106827754 /nfs/dbraw/zinc/82/77/54/1106827754.db2.gz FUXVMSGHXOBFND-RTBURBONSA-N 2 1 356.554 4.462 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531018341 1107457112 /nfs/dbraw/zinc/45/71/12/1107457112.db2.gz MNMPKGCIJDUVGO-FUHWJXTLSA-N 2 1 351.416 4.206 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531018341 1107457119 /nfs/dbraw/zinc/45/71/19/1107457119.db2.gz MNMPKGCIJDUVGO-FUHWJXTLSA-N 2 1 351.416 4.206 20 0 FIADMP CCCCOC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168067982 1107522299 /nfs/dbraw/zinc/52/22/99/1107522299.db2.gz VZBLKZLPMWBVPP-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CCCCOC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168067982 1107522309 /nfs/dbraw/zinc/52/23/09/1107522309.db2.gz VZBLKZLPMWBVPP-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CCCCOC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168067982 1107522322 /nfs/dbraw/zinc/52/23/22/1107522322.db2.gz VZBLKZLPMWBVPP-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP COc1ccccc1-c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475574869 1107768184 /nfs/dbraw/zinc/76/81/84/1107768184.db2.gz YGVHKRSQADPFDD-UHFFFAOYSA-N 2 1 350.506 4.469 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054945 1108130801 /nfs/dbraw/zinc/13/08/01/1108130801.db2.gz CYFVFIVZJYFFJE-RBUKOAKNSA-N 2 1 354.542 4.250 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCc2cccnc2)cc1F ZINC000453076245 1108147616 /nfs/dbraw/zinc/14/76/16/1108147616.db2.gz VIHKUORSHOQYAA-MRXNPFEDSA-N 2 1 352.457 4.216 20 0 FIADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000453077262 1108149826 /nfs/dbraw/zinc/14/98/26/1108149826.db2.gz XXGBDIOSICNDLT-IBGZPJMESA-N 2 1 374.569 4.125 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](C)c4ccsc43)CC2)nc(C)[nH+]1 ZINC000453122980 1108189995 /nfs/dbraw/zinc/18/99/95/1108189995.db2.gz FKXXZWJPTXDFBM-SCLBCKFNSA-N 2 1 356.539 4.352 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453194816 1108264699 /nfs/dbraw/zinc/26/46/99/1108264699.db2.gz IGLUSVHWENVHJE-VIZSFHNOSA-N 2 1 351.538 4.293 20 0 FIADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000531851013 1108268228 /nfs/dbraw/zinc/26/82/28/1108268228.db2.gz JGHZPNBSMUPFIV-DYESRHJHSA-N 2 1 367.537 4.223 20 0 FIADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453229985 1108303529 /nfs/dbraw/zinc/30/35/29/1108303529.db2.gz PLUJAIGXIQFFIN-DUBPFDJUSA-N 2 1 352.444 4.360 20 0 FIADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289286 1108365378 /nfs/dbraw/zinc/36/53/78/1108365378.db2.gz LXRNINSGGLVCAE-JLLPCOHGSA-N 2 1 364.533 4.029 20 0 FIADMP CO[C@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319421 1108408308 /nfs/dbraw/zinc/40/83/08/1108408308.db2.gz KUDADVQDLHAFNJ-UEQSERJNSA-N 2 1 364.533 4.333 20 0 FIADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453353297 1108454869 /nfs/dbraw/zinc/45/48/69/1108454869.db2.gz NQMPXXNSRVRYOF-VYTWWXLVSA-N 2 1 350.506 4.194 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C1CC1 ZINC000453386339 1108470876 /nfs/dbraw/zinc/47/08/76/1108470876.db2.gz AOWPLSMJDIAHEV-NRFANRHFSA-N 2 1 357.929 4.483 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453363027 1108479108 /nfs/dbraw/zinc/47/91/08/1108479108.db2.gz QGIBWFFJDXMLQK-ILWGZMRPSA-N 2 1 365.521 4.332 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453363027 1108479112 /nfs/dbraw/zinc/47/91/12/1108479112.db2.gz QGIBWFFJDXMLQK-ILWGZMRPSA-N 2 1 365.521 4.332 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000531979278 1108495795 /nfs/dbraw/zinc/49/57/95/1108495795.db2.gz MLFUCBSPSFUIKM-UEKVPHQBSA-N 2 1 365.732 4.344 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453445857 1108540951 /nfs/dbraw/zinc/54/09/51/1108540951.db2.gz ZVPOXAYAMHNDOD-CWJKEVGVSA-N 2 1 370.562 4.468 20 0 FIADMP c1nc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000453594268 1108632239 /nfs/dbraw/zinc/63/22/39/1108632239.db2.gz FEPHIOVWTNVGAJ-QFIPXVFZSA-N 2 1 352.526 4.067 20 0 FIADMP c1ncc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000453594268 1108632244 /nfs/dbraw/zinc/63/22/44/1108632244.db2.gz FEPHIOVWTNVGAJ-QFIPXVFZSA-N 2 1 352.526 4.067 20 0 FIADMP c1ncc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000453594268 1108632253 /nfs/dbraw/zinc/63/22/53/1108632253.db2.gz FEPHIOVWTNVGAJ-QFIPXVFZSA-N 2 1 352.526 4.067 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000532193183 1108701477 /nfs/dbraw/zinc/70/14/77/1108701477.db2.gz POZQRNXCZVCVGI-RBUKOAKNSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000532193183 1108701488 /nfs/dbraw/zinc/70/14/88/1108701488.db2.gz POZQRNXCZVCVGI-RBUKOAKNSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000532193183 1108701493 /nfs/dbraw/zinc/70/14/93/1108701493.db2.gz POZQRNXCZVCVGI-RBUKOAKNSA-N 3 1 354.542 4.343 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000532193587 1108702214 /nfs/dbraw/zinc/70/22/14/1108702214.db2.gz QDXAORRQTCSRCV-MRXNPFEDSA-N 2 1 362.477 4.380 20 0 FIADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)C[C@@H](C)O1 ZINC000525119435 1109268874 /nfs/dbraw/zinc/26/88/74/1109268874.db2.gz GOMZCGXJJBAICG-HUUCEWRRSA-N 2 1 371.352 4.315 20 0 FIADMP CC(C)[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428451632 1109313206 /nfs/dbraw/zinc/31/32/06/1109313206.db2.gz DBPXCDOFHYGIPL-GMKZXUHWSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428451632 1109313212 /nfs/dbraw/zinc/31/32/12/1109313212.db2.gz DBPXCDOFHYGIPL-GMKZXUHWSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428451632 1109313218 /nfs/dbraw/zinc/31/32/18/1109313218.db2.gz DBPXCDOFHYGIPL-GMKZXUHWSA-N 3 1 369.597 4.140 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1cccc(F)c1 ZINC000446743353 1109326415 /nfs/dbraw/zinc/32/64/15/1109326415.db2.gz FFGMDYGHYNITDU-HSZRJFAPSA-N 2 1 369.528 4.204 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](COCc3ccccc3)C(C)C)CC2)[nH+]1 ZINC000446834131 1109355103 /nfs/dbraw/zinc/35/51/03/1109355103.db2.gz WCXQLSFXEIJLDP-JOCHJYFZSA-N 2 1 367.537 4.190 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000525858454 1109540837 /nfs/dbraw/zinc/54/08/37/1109540837.db2.gz PMIUEFAWHVRUAM-CZAAIQMYSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000525858454 1109540839 /nfs/dbraw/zinc/54/08/39/1109540839.db2.gz PMIUEFAWHVRUAM-CZAAIQMYSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000525858457 1109540935 /nfs/dbraw/zinc/54/09/35/1109540935.db2.gz PMIUEFAWHVRUAM-TYCQWZJGSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000525858457 1109540936 /nfs/dbraw/zinc/54/09/36/1109540936.db2.gz PMIUEFAWHVRUAM-TYCQWZJGSA-N 2 1 354.469 4.150 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000447514073 1109567089 /nfs/dbraw/zinc/56/70/89/1109567089.db2.gz ATRXOZUNPWBVHB-ZEQRLZLVSA-N 2 1 364.533 4.493 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000447536268 1109571239 /nfs/dbraw/zinc/57/12/39/1109571239.db2.gz MACBWQIFGPNSJO-KRWDZBQOSA-N 2 1 370.493 4.293 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)F)cc3)c2)CCO1 ZINC000526038174 1109597307 /nfs/dbraw/zinc/59/73/07/1109597307.db2.gz VGOIISFOSXVFAF-MRXNPFEDSA-N 2 1 360.448 4.135 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CCO1 ZINC001168092323 1109642207 /nfs/dbraw/zinc/64/22/07/1109642207.db2.gz GZGKFFZYAZKXGG-OTUUDDROSA-N 2 1 364.533 4.202 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C(F)F)cc3)CC2)oc1C ZINC000527518566 1109773236 /nfs/dbraw/zinc/77/32/36/1109773236.db2.gz UYFCOOYODGCBAT-UHFFFAOYSA-N 2 1 363.452 4.231 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)cc1 ZINC000448428389 1109789344 /nfs/dbraw/zinc/78/93/44/1109789344.db2.gz ZXMAOHDJLUQVSX-NRFANRHFSA-N 2 1 373.585 4.016 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000448428389 1109789352 /nfs/dbraw/zinc/78/93/52/1109789352.db2.gz ZXMAOHDJLUQVSX-NRFANRHFSA-N 2 1 373.585 4.016 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000448428389 1109789357 /nfs/dbraw/zinc/78/93/57/1109789357.db2.gz ZXMAOHDJLUQVSX-NRFANRHFSA-N 2 1 373.585 4.016 20 0 FIADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c(F)cc1OC ZINC000527646822 1109794654 /nfs/dbraw/zinc/79/46/54/1109794654.db2.gz OXVUDMJQSPAOQQ-UHFFFAOYSA-N 2 1 374.500 4.363 20 0 FIADMP CC(C)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000527883620 1109849212 /nfs/dbraw/zinc/84/92/12/1109849212.db2.gz DLUFUVQCYJGIPZ-FDDCHVKYSA-N 2 1 352.522 4.227 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000527938167 1109863534 /nfs/dbraw/zinc/86/35/34/1109863534.db2.gz GRCNBBXBVQEYQN-UHFFFAOYSA-N 2 1 374.573 4.245 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449067431 1109967449 /nfs/dbraw/zinc/96/74/49/1109967449.db2.gz LJGJGFWZYQDEIW-MRXNPFEDSA-N 2 1 355.295 4.038 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000449120192 1109980216 /nfs/dbraw/zinc/98/02/16/1109980216.db2.gz CEMHDDQIZXHKJP-IBGZPJMESA-N 2 1 359.517 4.420 20 0 FIADMP COCc1cc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)ccc1F ZINC000449119772 1109980349 /nfs/dbraw/zinc/98/03/49/1109980349.db2.gz AVFRBGSEERFLSQ-SFHVURJKSA-N 2 1 370.512 4.157 20 0 FIADMP CCC[N@@H+](Cc1ncccc1Cl)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000528416953 1109986476 /nfs/dbraw/zinc/98/64/76/1109986476.db2.gz MWPGJKPLGJCDHX-UHFFFAOYSA-N 2 1 373.932 4.023 20 0 FIADMP CCC[N@H+](Cc1ncccc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000528416953 1109986477 /nfs/dbraw/zinc/98/64/77/1109986477.db2.gz MWPGJKPLGJCDHX-UHFFFAOYSA-N 2 1 373.932 4.023 20 0 FIADMP CCC[N@@H+](Cc1ncccc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000528416953 1109986479 /nfs/dbraw/zinc/98/64/79/1109986479.db2.gz MWPGJKPLGJCDHX-UHFFFAOYSA-N 2 1 373.932 4.023 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000449173334 1109988439 /nfs/dbraw/zinc/98/84/39/1109988439.db2.gz FPBLHMQODFXKHO-GCJKJVERSA-N 2 1 368.569 4.193 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449159669 1109989547 /nfs/dbraw/zinc/98/95/47/1109989547.db2.gz IDUXZMABNSFMAV-FQEVSTJZSA-N 2 1 354.494 4.103 20 0 FIADMP C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235156 1109998926 /nfs/dbraw/zinc/99/89/26/1109998926.db2.gz TWUCPAZFXWOANW-QEORTHHSSA-N 2 1 352.444 4.334 20 0 FIADMP C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449235156 1109998928 /nfs/dbraw/zinc/99/89/28/1109998928.db2.gz TWUCPAZFXWOANW-QEORTHHSSA-N 2 1 352.444 4.334 20 0 FIADMP CC1(C)CC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC(C)(C)[NH2+]1 ZINC000449219073 1109999992 /nfs/dbraw/zinc/99/99/92/1109999992.db2.gz MMITVUNJDHYDKC-UHFFFAOYSA-N 2 1 357.567 4.327 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329525 1110027555 /nfs/dbraw/zinc/02/75/55/1110027555.db2.gz IIGSFDRMCZJDIG-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329525 1110027561 /nfs/dbraw/zinc/02/75/61/1110027561.db2.gz IIGSFDRMCZJDIG-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329525 1110027570 /nfs/dbraw/zinc/02/75/70/1110027570.db2.gz IIGSFDRMCZJDIG-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329525 1110027578 /nfs/dbraw/zinc/02/75/78/1110027578.db2.gz IIGSFDRMCZJDIG-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329525 1110027582 /nfs/dbraw/zinc/02/75/82/1110027582.db2.gz IIGSFDRMCZJDIG-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343039 1110034511 /nfs/dbraw/zinc/03/45/11/1110034511.db2.gz HFXDGLUAUMKDHU-CTNGQTDRSA-N 2 1 358.570 4.330 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCCC3(F)F)CC2)cc1 ZINC000449375208 1110046585 /nfs/dbraw/zinc/04/65/85/1110046585.db2.gz HZKWHLOMJFHQCM-QGZVFWFLSA-N 2 1 354.460 4.248 20 0 FIADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000449393072 1110050396 /nfs/dbraw/zinc/05/03/96/1110050396.db2.gz LXRNINSGGLVCAE-NHYNNZIHSA-N 2 1 364.533 4.029 20 0 FIADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000449393073 1110050581 /nfs/dbraw/zinc/05/05/81/1110050581.db2.gz LXRNINSGGLVCAE-UCBGAZFYSA-N 2 1 364.533 4.029 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000026304083 1110094855 /nfs/dbraw/zinc/09/48/55/1110094855.db2.gz FGMRTRWRAXNTEN-UHFFFAOYSA-N 2 1 366.509 4.118 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC/C=C/c3ccccc3)CC2)CC1 ZINC000450477339 1110302601 /nfs/dbraw/zinc/30/26/01/1110302601.db2.gz WAZGPCAJJKOHDH-UXBLZVDNSA-N 2 1 369.597 4.218 20 0 FIADMP C[N@H+](CC/C=C/c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450477339 1110302604 /nfs/dbraw/zinc/30/26/04/1110302604.db2.gz WAZGPCAJJKOHDH-UXBLZVDNSA-N 3 1 369.597 4.218 20 0 FIADMP C[N@@H+](CC/C=C/c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450477339 1110302607 /nfs/dbraw/zinc/30/26/07/1110302607.db2.gz WAZGPCAJJKOHDH-UXBLZVDNSA-N 3 1 369.597 4.218 20 0 FIADMP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000538407275 1111118396 /nfs/dbraw/zinc/11/83/96/1111118396.db2.gz RXIUVMBSKVPOFR-VGOFRKELSA-N 2 1 356.485 4.156 20 0 FIADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OCc1ccccc1 ZINC000538447011 1111144853 /nfs/dbraw/zinc/14/48/53/1111144853.db2.gz STOBKONECSWCJN-UHFFFAOYSA-N 2 1 366.505 4.016 20 0 FIADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664218 1111232874 /nfs/dbraw/zinc/23/28/74/1111232874.db2.gz ODNDTAMTEQRDPH-IBGZPJMESA-N 2 1 370.545 4.017 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664218 1111232876 /nfs/dbraw/zinc/23/28/76/1111232876.db2.gz ODNDTAMTEQRDPH-IBGZPJMESA-N 2 1 370.545 4.017 20 0 FIADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730472 1111267367 /nfs/dbraw/zinc/26/73/67/1111267367.db2.gz NTZHGXOZZIMNMR-FQEVSTJZSA-N 2 1 374.475 4.284 20 0 FIADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730472 1111267371 /nfs/dbraw/zinc/26/73/71/1111267371.db2.gz NTZHGXOZZIMNMR-FQEVSTJZSA-N 2 1 374.475 4.284 20 0 FIADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730472 1111267373 /nfs/dbraw/zinc/26/73/73/1111267373.db2.gz NTZHGXOZZIMNMR-FQEVSTJZSA-N 2 1 374.475 4.284 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc3cc(OC)ccc3o2)CC1 ZINC000538753201 1111283022 /nfs/dbraw/zinc/28/30/22/1111283022.db2.gz VTUSMAJRVHQTLS-UHFFFAOYSA-N 2 1 374.525 4.012 20 0 FIADMP CC[N@@H+](Cc1ccc(OC)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538763199 1111290580 /nfs/dbraw/zinc/29/05/80/1111290580.db2.gz NCBMFFYHVAVEFL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@H+](Cc1ccc(OC)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538763199 1111290582 /nfs/dbraw/zinc/29/05/82/1111290582.db2.gz NCBMFFYHVAVEFL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538763199 1111290585 /nfs/dbraw/zinc/29/05/85/1111290585.db2.gz NCBMFFYHVAVEFL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538763199 1111290588 /nfs/dbraw/zinc/29/05/88/1111290588.db2.gz NCBMFFYHVAVEFL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000539124226 1111443405 /nfs/dbraw/zinc/44/34/05/1111443405.db2.gz LWINTTAVNHKGAJ-LJIGWXMPSA-N 2 1 358.448 4.181 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000539159286 1111455204 /nfs/dbraw/zinc/45/52/04/1111455204.db2.gz NQRIOTYOEHKUDX-UZLBHIALSA-N 2 1 359.514 4.332 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000552048409 1111557767 /nfs/dbraw/zinc/55/77/67/1111557767.db2.gz RITVLYBRTKEXFN-ZHMMRPBMSA-N 2 1 356.554 4.223 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552246557 1111636863 /nfs/dbraw/zinc/63/68/63/1111636863.db2.gz YHLLVILXNWJGKA-NHCUHLMSSA-N 2 1 364.961 4.193 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000478036670 1111649755 /nfs/dbraw/zinc/64/97/55/1111649755.db2.gz UNHAQZJZJSMMPG-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000478036670 1111649758 /nfs/dbraw/zinc/64/97/58/1111649758.db2.gz UNHAQZJZJSMMPG-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000478036670 1111649766 /nfs/dbraw/zinc/64/97/66/1111649766.db2.gz UNHAQZJZJSMMPG-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC4=Cc5ccccc5OC4)C3)CC2)cc1 ZINC000552273057 1111653635 /nfs/dbraw/zinc/65/36/35/1111653635.db2.gz PVUCFXRMHIHVHN-UHFFFAOYSA-N 2 1 374.528 4.451 20 0 FIADMP COc1cccc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000552326252 1111669615 /nfs/dbraw/zinc/66/96/15/1111669615.db2.gz KARYQJADAFVNEM-RXVVDRJESA-N 2 1 350.506 4.327 20 0 FIADMP COc1cccc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000552326252 1111669620 /nfs/dbraw/zinc/66/96/20/1111669620.db2.gz KARYQJADAFVNEM-RXVVDRJESA-N 2 1 350.506 4.327 20 0 FIADMP COCCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000552325639 1111670156 /nfs/dbraw/zinc/67/01/56/1111670156.db2.gz XVSMJLLTFXMPCQ-JSFADZTLSA-N 2 1 352.950 4.169 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479081493 1111945953 /nfs/dbraw/zinc/94/59/53/1111945953.db2.gz UULNHKPKEUOURB-OAQYLSRUSA-N 2 1 352.526 4.104 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264340 1111978901 /nfs/dbraw/zinc/97/89/01/1111978901.db2.gz COCFIAOSKZLLKB-UZLBHIALSA-N 2 1 373.338 4.470 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264340 1111978902 /nfs/dbraw/zinc/97/89/02/1111978902.db2.gz COCFIAOSKZLLKB-UZLBHIALSA-N 2 1 373.338 4.470 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479332413 1111994379 /nfs/dbraw/zinc/99/43/79/1111994379.db2.gz SZJXLXUQIMQNIN-KNQAVFIVSA-N 2 1 366.553 4.351 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334875 1111998691 /nfs/dbraw/zinc/99/86/91/1111998691.db2.gz JVOYLKPCTVKWTG-GHTZIAJQSA-N 2 1 352.526 4.104 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334875 1111998694 /nfs/dbraw/zinc/99/86/94/1111998694.db2.gz JVOYLKPCTVKWTG-GHTZIAJQSA-N 2 1 352.526 4.104 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000479466314 1112041521 /nfs/dbraw/zinc/04/15/21/1112041521.db2.gz RLQLWBDPXIQRPN-PXNSSMCTSA-N 2 1 356.510 4.474 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000479526121 1112053074 /nfs/dbraw/zinc/05/30/74/1112053074.db2.gz LAAQEFCAVKYUJD-BZNRXQDOSA-N 2 1 362.533 4.188 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000479535721 1112060294 /nfs/dbraw/zinc/06/02/94/1112060294.db2.gz IUBNQSUBOMGGHZ-DWIQEWEKSA-N 2 1 364.961 4.313 20 0 FIADMP Brc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479558748 1112071372 /nfs/dbraw/zinc/07/13/72/1112071372.db2.gz XXWXAFWPQORNEI-FAFZWHIHSA-N 2 1 363.343 4.433 20 0 FIADMP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479558750 1112071543 /nfs/dbraw/zinc/07/15/43/1112071543.db2.gz XXWXAFWPQORNEI-TVPLGVNVSA-N 2 1 363.343 4.433 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000479681621 1112112137 /nfs/dbraw/zinc/11/21/37/1112112137.db2.gz BOGMBBIAZYDAGZ-LJQANCHMSA-N 2 1 354.542 4.186 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000479765603 1112135155 /nfs/dbraw/zinc/13/51/55/1112135155.db2.gz DIDHZRUVWPDPEY-BEFAXECRSA-N 2 1 373.368 4.263 20 0 FIADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000479765532 1112135163 /nfs/dbraw/zinc/13/51/63/1112135163.db2.gz ONGWQSJIVLPTNX-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479889569 1112186743 /nfs/dbraw/zinc/18/67/43/1112186743.db2.gz VRHCHULXRYRVIA-UZUQRXQVSA-N 2 1 368.496 4.071 20 0 FIADMP COC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000480008819 1112235562 /nfs/dbraw/zinc/23/55/62/1112235562.db2.gz BJASYIASEVFGKM-MRXNPFEDSA-N 2 1 358.448 4.292 20 0 FIADMP C[N@H+](Cc1cc2ccncc2s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667621092 1112285376 /nfs/dbraw/zinc/28/53/76/1112285376.db2.gz ZYCRECMJEDEBFY-GOSISDBHSA-N 2 1 351.519 4.250 20 0 FIADMP C[NH+](Cc1cc2ccncc2s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667621092 1112285381 /nfs/dbraw/zinc/28/53/81/1112285381.db2.gz ZYCRECMJEDEBFY-GOSISDBHSA-N 2 1 351.519 4.250 20 0 FIADMP C[NH+](Cc1cc2ccncc2s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667621092 1112285388 /nfs/dbraw/zinc/28/53/88/1112285388.db2.gz ZYCRECMJEDEBFY-GOSISDBHSA-N 2 1 351.519 4.250 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000480143778 1112300431 /nfs/dbraw/zinc/30/04/31/1112300431.db2.gz GUAMJHMSURZKQH-SFHVURJKSA-N 2 1 356.510 4.185 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000480148053 1112302196 /nfs/dbraw/zinc/30/21/96/1112302196.db2.gz PQIWXWQFOQNZJG-XUZZJYLKSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000480148053 1112302199 /nfs/dbraw/zinc/30/21/99/1112302199.db2.gz PQIWXWQFOQNZJG-XUZZJYLKSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000480148053 1112302203 /nfs/dbraw/zinc/30/22/03/1112302203.db2.gz PQIWXWQFOQNZJG-XUZZJYLKSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000480148055 1112302571 /nfs/dbraw/zinc/30/25/71/1112302571.db2.gz PQIWXWQFOQNZJG-ZJSXRUAMSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000480148055 1112302576 /nfs/dbraw/zinc/30/25/76/1112302576.db2.gz PQIWXWQFOQNZJG-ZJSXRUAMSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000480148055 1112302581 /nfs/dbraw/zinc/30/25/81/1112302581.db2.gz PQIWXWQFOQNZJG-ZJSXRUAMSA-N 3 1 365.565 4.009 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)c1)C1CCOCC1 ZINC000554362672 1112318066 /nfs/dbraw/zinc/31/80/66/1112318066.db2.gz XNAUFRVSKAQYJI-FGZHOGPDSA-N 2 1 374.569 4.091 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)c1)C1CCOCC1 ZINC000554362674 1112318320 /nfs/dbraw/zinc/31/83/20/1112318320.db2.gz XNAUFRVSKAQYJI-YADHBBJMSA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000480241815 1112346143 /nfs/dbraw/zinc/34/61/43/1112346143.db2.gz OWILXPIIRQCNLH-MRXNPFEDSA-N 2 1 351.519 4.395 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnc2ccsc2c1 ZINC000480241815 1112346149 /nfs/dbraw/zinc/34/61/49/1112346149.db2.gz OWILXPIIRQCNLH-MRXNPFEDSA-N 2 1 351.519 4.395 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000554552842 1112397539 /nfs/dbraw/zinc/39/75/39/1112397539.db2.gz NCEDPKGIEUOPTJ-KRWDZBQOSA-N 2 1 358.476 4.417 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480391348 1112410816 /nfs/dbraw/zinc/41/08/16/1112410816.db2.gz XQYHALDSWUFJKL-VHSXEESVSA-N 2 1 351.741 4.126 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000480608502 1112499259 /nfs/dbraw/zinc/49/92/59/1112499259.db2.gz LFWQYAJSWPRNDU-OTWHNJEPSA-N 2 1 374.573 4.235 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645945 1112519852 /nfs/dbraw/zinc/51/98/52/1112519852.db2.gz YFCKGCXDUKPTJN-KHUIQGCPSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645945 1112519854 /nfs/dbraw/zinc/51/98/54/1112519854.db2.gz YFCKGCXDUKPTJN-KHUIQGCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645945 1112519859 /nfs/dbraw/zinc/51/98/59/1112519859.db2.gz YFCKGCXDUKPTJN-KHUIQGCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645945 1112519862 /nfs/dbraw/zinc/51/98/62/1112519862.db2.gz YFCKGCXDUKPTJN-KHUIQGCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645945 1112519868 /nfs/dbraw/zinc/51/98/68/1112519868.db2.gz YFCKGCXDUKPTJN-KHUIQGCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480636653 1112523538 /nfs/dbraw/zinc/52/35/38/1112523538.db2.gz CVSUNBKZMJXRTP-ROUUACIJSA-N 2 1 366.505 4.498 20 0 FIADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccsc2Cl)cc1 ZINC000480654531 1112531686 /nfs/dbraw/zinc/53/16/86/1112531686.db2.gz SWOZNSHUWMJRTL-UHFFFAOYSA-N 2 1 352.931 4.412 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000554883855 1112553575 /nfs/dbraw/zinc/55/35/75/1112553575.db2.gz DFPMSRZBEXJQCV-UHFFFAOYSA-N 2 1 359.420 4.468 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000554883855 1112553579 /nfs/dbraw/zinc/55/35/79/1112553579.db2.gz DFPMSRZBEXJQCV-UHFFFAOYSA-N 2 1 359.420 4.468 20 0 FIADMP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000480709827 1112564017 /nfs/dbraw/zinc/56/40/17/1112564017.db2.gz OAGZZOLOXKKVSM-XMMPIXPASA-N 2 1 369.597 4.284 20 0 FIADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(F)c1F ZINC001143604644 1112564493 /nfs/dbraw/zinc/56/44/93/1112564493.db2.gz BJJOAWJUQRFAKH-UHFFFAOYSA-N 2 1 371.475 4.156 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C3CCC3)cnn2C)CC1)CC1CC1 ZINC000667758031 1112630459 /nfs/dbraw/zinc/63/04/59/1112630459.db2.gz SILJRXUVVZBKKN-UHFFFAOYSA-N 2 1 358.574 4.022 20 0 FIADMP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000480888918 1112648790 /nfs/dbraw/zinc/64/87/90/1112648790.db2.gz JAEIKYPQOQTZSA-HSZRJFAPSA-N 2 1 351.538 4.065 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897110 1112660650 /nfs/dbraw/zinc/66/06/50/1112660650.db2.gz FGXUHJLHGPNXPS-QPPBQGQZSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897110 1112660660 /nfs/dbraw/zinc/66/06/60/1112660660.db2.gz FGXUHJLHGPNXPS-QPPBQGQZSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC001649004380 1112662012 /nfs/dbraw/zinc/66/20/12/1112662012.db2.gz FNDSLJKJLJLFPY-GBXCKJPGSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001649004380 1112662018 /nfs/dbraw/zinc/66/20/18/1112662018.db2.gz FNDSLJKJLJLFPY-GBXCKJPGSA-N 2 1 369.597 4.141 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000481328598 1112901807 /nfs/dbraw/zinc/90/18/07/1112901807.db2.gz TXZHLMSERYZJTF-IRXDYDNUSA-N 2 1 357.567 4.425 20 0 FIADMP Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618214 1112950035 /nfs/dbraw/zinc/95/00/35/1112950035.db2.gz FBHRDQKHMIOMFA-HSZRJFAPSA-N 2 1 364.533 4.013 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533626 1112971231 /nfs/dbraw/zinc/97/12/31/1112971231.db2.gz LECIZGHHDXSTMS-MOPGFXCFSA-N 2 1 364.533 4.247 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533626 1112971237 /nfs/dbraw/zinc/97/12/37/1112971237.db2.gz LECIZGHHDXSTMS-MOPGFXCFSA-N 2 1 364.533 4.247 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558557 1112981673 /nfs/dbraw/zinc/98/16/73/1112981673.db2.gz OHGCYZUPCRTBCP-KSFYIVLOSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558557 1112981676 /nfs/dbraw/zinc/98/16/76/1112981676.db2.gz OHGCYZUPCRTBCP-KSFYIVLOSA-N 2 1 370.924 4.338 20 0 FIADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C1 ZINC000899877867 1113040868 /nfs/dbraw/zinc/04/08/68/1113040868.db2.gz KGCNLWXUFBEUKJ-DYVFJYSZSA-N 2 1 365.399 4.054 20 0 FIADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(OC(F)(F)F)ccc43)CC[C@@H]21 ZINC000899878677 1113042370 /nfs/dbraw/zinc/04/23/70/1113042370.db2.gz VULSJPLFMPSWHW-GUYCJALGSA-N 2 1 365.399 4.054 20 0 FIADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCO2)cc1 ZINC000481951863 1113140353 /nfs/dbraw/zinc/14/03/53/1113140353.db2.gz IJRAUFBRZCIAQJ-VXKWHMMOSA-N 2 1 360.517 4.433 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000482074756 1113172161 /nfs/dbraw/zinc/17/21/61/1113172161.db2.gz KYNHVFUTXQYOBK-JYLXEMOASA-N 2 1 362.533 4.188 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000482121230 1113181221 /nfs/dbraw/zinc/18/12/21/1113181221.db2.gz MYAFVYRWYWVLGK-INIZCTEOSA-N 2 1 356.470 4.121 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000482123089 1113181807 /nfs/dbraw/zinc/18/18/07/1113181807.db2.gz GTXUPXVNMOSZQX-OXQOHEQNSA-N 2 1 356.535 4.246 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482123089 1113181808 /nfs/dbraw/zinc/18/18/08/1113181808.db2.gz GTXUPXVNMOSZQX-OXQOHEQNSA-N 2 1 356.535 4.246 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1Cl ZINC000482161280 1113187549 /nfs/dbraw/zinc/18/75/49/1113187549.db2.gz DNVKSHOHSHZDHD-BQFCYCMXSA-N 2 1 365.949 4.157 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326633 1113226224 /nfs/dbraw/zinc/22/62/24/1113226224.db2.gz ZDZURPNMNTWDMG-KSSFIOAISA-N 2 1 356.432 4.283 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1OC ZINC000482433642 1113253076 /nfs/dbraw/zinc/25/30/76/1113253076.db2.gz CWKVAGBFXQDVDK-UNMCSNQZSA-N 2 1 352.522 4.301 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482445254 1113258599 /nfs/dbraw/zinc/25/85/99/1113258599.db2.gz ISDJNYYEPXTVJU-FYYLOGMGSA-N 2 1 364.533 4.363 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000482457204 1113261359 /nfs/dbraw/zinc/26/13/59/1113261359.db2.gz JRWWFWPXYLPCKV-OFAXGOBFSA-N 2 1 352.522 4.219 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000482457204 1113261364 /nfs/dbraw/zinc/26/13/64/1113261364.db2.gz JRWWFWPXYLPCKV-OFAXGOBFSA-N 2 1 352.522 4.219 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000482876198 1113386366 /nfs/dbraw/zinc/38/63/66/1113386366.db2.gz UHZMHUDZEICRLT-MAUKXSAKSA-N 2 1 359.341 4.271 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000482875430 1113386581 /nfs/dbraw/zinc/38/65/81/1113386581.db2.gz LWLGAGSLTNHIFF-WMZHIEFXSA-N 2 1 352.522 4.241 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000483137036 1113446243 /nfs/dbraw/zinc/44/62/43/1113446243.db2.gz SZXDMYGEAAPVQU-AOIWGVFYSA-N 2 1 364.599 4.415 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183422 1113459039 /nfs/dbraw/zinc/45/90/39/1113459039.db2.gz ZWIUJYVUDKOKBV-IEZWGBDMSA-N 2 1 372.475 4.493 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183422 1113459041 /nfs/dbraw/zinc/45/90/41/1113459041.db2.gz ZWIUJYVUDKOKBV-IEZWGBDMSA-N 2 1 372.475 4.493 20 0 FIADMP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000486032060 1113488477 /nfs/dbraw/zinc/48/84/77/1113488477.db2.gz VTKVAFULGPXWIM-KKSFZXQISA-N 2 1 366.896 4.412 20 0 FIADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000486032060 1113488481 /nfs/dbraw/zinc/48/84/81/1113488481.db2.gz VTKVAFULGPXWIM-KKSFZXQISA-N 2 1 366.896 4.412 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000486236169 1113532428 /nfs/dbraw/zinc/53/24/28/1113532428.db2.gz LKRHLFGGSRUSTA-LSUHJGNXSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000486236169 1113532430 /nfs/dbraw/zinc/53/24/30/1113532430.db2.gz LKRHLFGGSRUSTA-LSUHJGNXSA-N 2 1 364.533 4.407 20 0 FIADMP COc1ccc2oc(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374958 1113556113 /nfs/dbraw/zinc/55/61/13/1113556113.db2.gz MTIGZBKBAUKKQX-MJGOQNOKSA-N 2 1 364.489 4.442 20 0 FIADMP COc1ccc2oc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374958 1113556116 /nfs/dbraw/zinc/55/61/16/1113556116.db2.gz MTIGZBKBAUKKQX-MJGOQNOKSA-N 2 1 364.489 4.442 20 0 FIADMP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486461860 1113572861 /nfs/dbraw/zinc/57/28/61/1113572861.db2.gz PQAOILFBWFSTDI-ZUAAASGPSA-N 2 1 350.506 4.209 20 0 FIADMP C[C@H](NCc1csc(-c2ccco2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514875 1113585403 /nfs/dbraw/zinc/58/54/03/1113585403.db2.gz FKAZJYGKBUNHNM-FUHWJXTLSA-N 2 1 367.518 4.403 20 0 FIADMP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCC1)c1ccccc1 ZINC000488105751 1113855709 /nfs/dbraw/zinc/85/57/09/1113855709.db2.gz CXWCNSXYVJRYRQ-WJMWBRGCSA-N 2 1 354.538 4.197 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000488990707 1114028618 /nfs/dbraw/zinc/02/86/18/1114028618.db2.gz YLDBDNPDZVWMGR-FQEVSTJZSA-N 2 1 374.960 4.118 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000488990707 1114028622 /nfs/dbraw/zinc/02/86/22/1114028622.db2.gz YLDBDNPDZVWMGR-FQEVSTJZSA-N 2 1 374.960 4.118 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC001212142524 1114095940 /nfs/dbraw/zinc/09/59/40/1114095940.db2.gz MOUKPINUXGHUGW-AWEZNQCLSA-N 2 1 374.382 4.063 20 0 FIADMP COc1ccc([C@@H](NC[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043185 1114366934 /nfs/dbraw/zinc/36/69/34/1114366934.db2.gz ZTBFAGWHSWHYLD-XXBNENTESA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043185 1114366938 /nfs/dbraw/zinc/36/69/38/1114366938.db2.gz ZTBFAGWHSWHYLD-XXBNENTESA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043185 1114366940 /nfs/dbraw/zinc/36/69/40/1114366940.db2.gz ZTBFAGWHSWHYLD-XXBNENTESA-N 2 1 352.522 4.495 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000586789361 1114394014 /nfs/dbraw/zinc/39/40/14/1114394014.db2.gz SNLBBHPYUYJCBN-WMZOPIPTSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000586789361 1114394019 /nfs/dbraw/zinc/39/40/19/1114394019.db2.gz SNLBBHPYUYJCBN-WMZOPIPTSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000586789361 1114394024 /nfs/dbraw/zinc/39/40/24/1114394024.db2.gz SNLBBHPYUYJCBN-WMZOPIPTSA-N 2 1 372.534 4.098 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001212145588 1114433629 /nfs/dbraw/zinc/43/36/29/1114433629.db2.gz XVAXROVKYAWTCG-HNNXBMFYSA-N 2 1 373.888 4.106 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571165909 1114441505 /nfs/dbraw/zinc/44/15/05/1114441505.db2.gz UUNMYSHHMZFOCF-RBUKOAKNSA-N 2 1 371.569 4.193 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1Cl ZINC000571614168 1114485093 /nfs/dbraw/zinc/48/50/93/1114485093.db2.gz VWHYNPALVOOYNI-AWEZNQCLSA-N 2 1 374.916 4.075 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000589835376 1114846025 /nfs/dbraw/zinc/84/60/25/1114846025.db2.gz HJJAZSFXLLBYKO-IYBDPMFKSA-N 2 1 358.448 4.085 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000589835376 1114846030 /nfs/dbraw/zinc/84/60/30/1114846030.db2.gz HJJAZSFXLLBYKO-IYBDPMFKSA-N 2 1 358.448 4.085 20 0 FIADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000589995363 1114872481 /nfs/dbraw/zinc/87/24/81/1114872481.db2.gz PWKKZCFFOBGYDP-QFIPXVFZSA-N 2 1 365.521 4.304 20 0 FIADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000589995363 1114872482 /nfs/dbraw/zinc/87/24/82/1114872482.db2.gz PWKKZCFFOBGYDP-QFIPXVFZSA-N 2 1 365.521 4.304 20 0 FIADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000572971833 1114940284 /nfs/dbraw/zinc/94/02/84/1114940284.db2.gz KGZVDYBZFNMPMX-UHFFFAOYSA-N 2 1 362.315 4.174 20 0 FIADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845027 1115112848 /nfs/dbraw/zinc/11/28/48/1115112848.db2.gz XEKSREHAOWMKHG-IBGZPJMESA-N 2 1 373.541 4.197 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845027 1115112849 /nfs/dbraw/zinc/11/28/49/1115112849.db2.gz XEKSREHAOWMKHG-IBGZPJMESA-N 2 1 373.541 4.197 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845027 1115112850 /nfs/dbraw/zinc/11/28/50/1115112850.db2.gz XEKSREHAOWMKHG-IBGZPJMESA-N 2 1 373.541 4.197 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845027 1115112851 /nfs/dbraw/zinc/11/28/51/1115112851.db2.gz XEKSREHAOWMKHG-IBGZPJMESA-N 2 1 373.541 4.197 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C)o1 ZINC000594600913 1115463279 /nfs/dbraw/zinc/46/32/79/1115463279.db2.gz OBDZTYSDHTUFNN-MRXNPFEDSA-N 2 1 370.493 4.039 20 0 FIADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2C1 ZINC000575193294 1115547600 /nfs/dbraw/zinc/54/76/00/1115547600.db2.gz COWKLIBFVZRFNW-UHFFFAOYSA-N 2 1 365.521 4.015 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C3CCCC3)CC2)cc1 ZINC000606411768 1115940860 /nfs/dbraw/zinc/94/08/60/1115940860.db2.gz BVMWUYRQNGDFDP-UHFFFAOYSA-N 2 1 371.569 4.009 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000606411768 1115940861 /nfs/dbraw/zinc/94/08/61/1115940861.db2.gz BVMWUYRQNGDFDP-UHFFFAOYSA-N 2 1 371.569 4.009 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000606411768 1115940863 /nfs/dbraw/zinc/94/08/63/1115940863.db2.gz BVMWUYRQNGDFDP-UHFFFAOYSA-N 2 1 371.569 4.009 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000606409621 1115943265 /nfs/dbraw/zinc/94/32/65/1115943265.db2.gz OJXPODKUDWALCP-QFIPXVFZSA-N 2 1 371.569 4.009 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000509452085 1116198765 /nfs/dbraw/zinc/19/87/65/1116198765.db2.gz KOECEJMZUNGPSC-HSZRJFAPSA-N 2 1 374.532 4.263 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000509452085 1116198766 /nfs/dbraw/zinc/19/87/66/1116198766.db2.gz KOECEJMZUNGPSC-HSZRJFAPSA-N 2 1 374.532 4.263 20 0 FIADMP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000534452299 1116200398 /nfs/dbraw/zinc/20/03/98/1116200398.db2.gz JKUFZCPOBWGPKI-HFJWLAOPSA-N 2 1 372.578 4.233 20 0 FIADMP Cn1c2ccccc2nc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534962996 1116258573 /nfs/dbraw/zinc/25/85/73/1116258573.db2.gz PJNUJAGZLBEPML-UHFFFAOYSA-N 2 1 374.532 4.061 20 0 FIADMP Cn1c2ccccc2nc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534962996 1116258574 /nfs/dbraw/zinc/25/85/74/1116258574.db2.gz PJNUJAGZLBEPML-UHFFFAOYSA-N 2 1 374.532 4.061 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000539727288 1116372168 /nfs/dbraw/zinc/37/21/68/1116372168.db2.gz TVIPVWVQIVTYOY-UHFFFAOYSA-N 2 1 360.517 4.233 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000539819628 1116385000 /nfs/dbraw/zinc/38/50/00/1116385000.db2.gz NXXBEJFDHWZQLB-WIYYLYMNSA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000539819628 1116385002 /nfs/dbraw/zinc/38/50/02/1116385002.db2.gz NXXBEJFDHWZQLB-WIYYLYMNSA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000539819628 1116385004 /nfs/dbraw/zinc/38/50/04/1116385004.db2.gz NXXBEJFDHWZQLB-WIYYLYMNSA-N 2 1 353.510 4.344 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821967 1116386201 /nfs/dbraw/zinc/38/62/01/1116386201.db2.gz UTSRGHHXFFNLKG-CVEARBPZSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821967 1116386203 /nfs/dbraw/zinc/38/62/03/1116386203.db2.gz UTSRGHHXFFNLKG-CVEARBPZSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821967 1116386205 /nfs/dbraw/zinc/38/62/05/1116386205.db2.gz UTSRGHHXFFNLKG-CVEARBPZSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821967 1116386208 /nfs/dbraw/zinc/38/62/08/1116386208.db2.gz UTSRGHHXFFNLKG-CVEARBPZSA-N 2 1 353.348 4.216 20 0 FIADMP Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001168432551 1117746421 /nfs/dbraw/zinc/74/64/21/1117746421.db2.gz WKCFBMSQUGQYNP-JOCHJYFZSA-N 2 1 368.496 4.264 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804154 1117786248 /nfs/dbraw/zinc/78/62/48/1117786248.db2.gz CVGQDNJELSZTOW-AQDKSWOWSA-N 2 1 351.332 4.013 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000462884565 1117839190 /nfs/dbraw/zinc/83/91/90/1117839190.db2.gz QVVQPMWQIJZQRN-QFIPXVFZSA-N 2 1 350.506 4.332 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(OCC)c(OCC)cc32)C1 ZINC000462943482 1117872197 /nfs/dbraw/zinc/87/21/97/1117872197.db2.gz DAUZFKRDZQWIJF-QGZVFWFLSA-N 2 1 371.525 4.200 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148153 1117898686 /nfs/dbraw/zinc/89/86/86/1117898686.db2.gz VILYTMKDEJUNEX-VQIMIIECSA-N 2 1 372.475 4.351 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148153 1117898691 /nfs/dbraw/zinc/89/86/91/1117898691.db2.gz VILYTMKDEJUNEX-VQIMIIECSA-N 2 1 372.475 4.351 20 0 FIADMP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000540172798 1117913404 /nfs/dbraw/zinc/91/34/04/1117913404.db2.gz WPMMIAOWBYPUSQ-GOSISDBHSA-N 2 1 370.537 4.265 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000540171646 1117913572 /nfs/dbraw/zinc/91/35/72/1117913572.db2.gz UOGGBEZLSQYOSU-FCEWJHQRSA-N 2 1 366.933 4.033 20 0 FIADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070113 1117955465 /nfs/dbraw/zinc/95/54/65/1117955465.db2.gz CKGYQCANGRAEEV-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070113 1117955469 /nfs/dbraw/zinc/95/54/69/1117955469.db2.gz CKGYQCANGRAEEV-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccc(Cl)s3)CC2)cc1 ZINC000463071190 1117956685 /nfs/dbraw/zinc/95/66/85/1117956685.db2.gz WBYLGAOWSQVAJJ-UHFFFAOYSA-N 2 1 366.933 4.380 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074794 1117958759 /nfs/dbraw/zinc/95/87/59/1117958759.db2.gz IZJFYACBMKLKRG-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074794 1117958762 /nfs/dbraw/zinc/95/87/62/1117958762.db2.gz IZJFYACBMKLKRG-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000463126801 1117974569 /nfs/dbraw/zinc/97/45/69/1117974569.db2.gz LLEHPKRRFGSTHR-MRXNPFEDSA-N 2 1 360.542 4.423 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000463117288 1117977713 /nfs/dbraw/zinc/97/77/13/1117977713.db2.gz GTIIRYYBUJIUTG-UHFFFAOYSA-N 2 1 353.514 4.042 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000463117288 1117977717 /nfs/dbraw/zinc/97/77/17/1117977717.db2.gz GTIIRYYBUJIUTG-UHFFFAOYSA-N 2 1 353.514 4.042 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cncc(C(F)(F)F)c2)cc1 ZINC000463144321 1117981676 /nfs/dbraw/zinc/98/16/76/1117981676.db2.gz ACQOOUGPZUWCKH-CYBMUJFWSA-N 2 1 360.383 4.445 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463134156 1117984273 /nfs/dbraw/zinc/98/42/73/1117984273.db2.gz XQFBEYHXRXSUSZ-KNQAVFIVSA-N 2 1 352.522 4.189 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463134156 1117984276 /nfs/dbraw/zinc/98/42/76/1117984276.db2.gz XQFBEYHXRXSUSZ-KNQAVFIVSA-N 2 1 352.522 4.189 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140044 1117987315 /nfs/dbraw/zinc/98/73/15/1117987315.db2.gz KACCDRZDIKBAQD-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140044 1117987318 /nfs/dbraw/zinc/98/73/18/1117987318.db2.gz KACCDRZDIKBAQD-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP COc1cccc(CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463157344 1117995742 /nfs/dbraw/zinc/99/57/42/1117995742.db2.gz RIGAZORXFTXPLK-UHFFFAOYSA-N 2 1 370.512 4.064 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463204030 1118018736 /nfs/dbraw/zinc/01/87/36/1118018736.db2.gz IDCIGBCOQZDPIU-SFHLNBCPSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463204030 1118018793 /nfs/dbraw/zinc/01/87/93/1118018793.db2.gz IDCIGBCOQZDPIU-SFHLNBCPSA-N 2 1 368.521 4.105 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H]3Cc3ccccc3)CC2)cc1 ZINC000463206143 1118020243 /nfs/dbraw/zinc/02/02/43/1118020243.db2.gz OVSBQVWXMOYCRW-OFNKIYASSA-N 2 1 352.497 4.053 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)C1 ZINC000540409270 1118037588 /nfs/dbraw/zinc/03/75/88/1118037588.db2.gz UZFOLHSJSAKFIN-AHIWAGSCSA-N 2 1 369.372 4.163 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279883 1118067712 /nfs/dbraw/zinc/06/77/12/1118067712.db2.gz KIIMKFKCLGHTJJ-CDIGIKMISA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279883 1118067718 /nfs/dbraw/zinc/06/77/18/1118067718.db2.gz KIIMKFKCLGHTJJ-CDIGIKMISA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279883 1118067726 /nfs/dbraw/zinc/06/77/26/1118067726.db2.gz KIIMKFKCLGHTJJ-CDIGIKMISA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463275363 1118074679 /nfs/dbraw/zinc/07/46/79/1118074679.db2.gz VHNJOXZKKDLLSW-QAPCUYQASA-N 2 1 362.439 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463275363 1118074681 /nfs/dbraw/zinc/07/46/81/1118074681.db2.gz VHNJOXZKKDLLSW-QAPCUYQASA-N 2 1 362.439 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463288280 1118084365 /nfs/dbraw/zinc/08/43/65/1118084365.db2.gz ZZCLWWUFOSUNBD-GCJKJVERSA-N 2 1 355.501 4.270 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463288280 1118084371 /nfs/dbraw/zinc/08/43/71/1118084371.db2.gz ZZCLWWUFOSUNBD-GCJKJVERSA-N 2 1 355.501 4.270 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C[C@@H](C)CCc3ccccc3)CCCC2)CC1 ZINC000540615552 1118151958 /nfs/dbraw/zinc/15/19/58/1118151958.db2.gz QPJKEDHDKIPDPG-FQEVSTJZSA-N 2 1 358.570 4.269 20 0 FIADMP CCc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)cc1 ZINC000540988760 1118339104 /nfs/dbraw/zinc/33/91/04/1118339104.db2.gz OKZBKGBZNQCNEC-RPWUZVMVSA-N 2 1 366.549 4.303 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000464065594 1118425012 /nfs/dbraw/zinc/42/50/12/1118425012.db2.gz GDFYCGSSDYJODY-IPMKNSEASA-N 2 1 357.473 4.005 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000761449997 1118446989 /nfs/dbraw/zinc/44/69/89/1118446989.db2.gz JBKAHUCQPSDXTL-FYYLOGMGSA-N 2 1 356.554 4.420 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541348369 1118482054 /nfs/dbraw/zinc/48/20/54/1118482054.db2.gz CAUYWNUODKUTCE-FPOVZHCZSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541348369 1118482055 /nfs/dbraw/zinc/48/20/55/1118482055.db2.gz CAUYWNUODKUTCE-FPOVZHCZSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348369 1118482059 /nfs/dbraw/zinc/48/20/59/1118482059.db2.gz CAUYWNUODKUTCE-FPOVZHCZSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348369 1118482061 /nfs/dbraw/zinc/48/20/61/1118482061.db2.gz CAUYWNUODKUTCE-FPOVZHCZSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000541553072 1118560458 /nfs/dbraw/zinc/56/04/58/1118560458.db2.gz YYBBRSBEUMSZCP-SVMVAKDDSA-N 2 1 370.516 4.053 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000541553072 1118560462 /nfs/dbraw/zinc/56/04/62/1118560462.db2.gz YYBBRSBEUMSZCP-SVMVAKDDSA-N 2 1 370.516 4.053 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000541555573 1118561160 /nfs/dbraw/zinc/56/11/60/1118561160.db2.gz GTZQRONKCKNOCR-SFHVURJKSA-N 2 1 364.468 4.485 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791425 1118699717 /nfs/dbraw/zinc/69/97/17/1118699717.db2.gz TWRVHSBXBYWBJU-YXMMZVCTSA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791425 1118699720 /nfs/dbraw/zinc/69/97/20/1118699720.db2.gz TWRVHSBXBYWBJU-YXMMZVCTSA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791425 1118699724 /nfs/dbraw/zinc/69/97/24/1118699724.db2.gz TWRVHSBXBYWBJU-YXMMZVCTSA-N 2 1 351.332 4.126 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791423 1118700019 /nfs/dbraw/zinc/70/00/19/1118700019.db2.gz TWRVHSBXBYWBJU-UKINESCASA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791423 1118700022 /nfs/dbraw/zinc/70/00/22/1118700022.db2.gz TWRVHSBXBYWBJU-UKINESCASA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791423 1118700026 /nfs/dbraw/zinc/70/00/26/1118700026.db2.gz TWRVHSBXBYWBJU-UKINESCASA-N 2 1 351.332 4.126 20 0 FIADMP CCc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000541956661 1118721426 /nfs/dbraw/zinc/72/14/26/1118721426.db2.gz VDULJQLHIAPAAI-INIZCTEOSA-N 2 1 362.477 4.032 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000542019857 1118756038 /nfs/dbraw/zinc/75/60/38/1118756038.db2.gz POMPAGVCYUVLPC-LJQANCHMSA-N 2 1 369.557 4.162 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492044280 1119006894 /nfs/dbraw/zinc/00/68/94/1119006894.db2.gz KIOVEDSHXWDICX-HMXCVIKNSA-N 2 1 367.512 4.047 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000492044280 1119006900 /nfs/dbraw/zinc/00/69/00/1119006900.db2.gz KIOVEDSHXWDICX-HMXCVIKNSA-N 2 1 367.512 4.047 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1OC ZINC000173320211 1119032491 /nfs/dbraw/zinc/03/24/91/1119032491.db2.gz LKMQKKKPHBUOBX-KRWDZBQOSA-N 2 1 356.510 4.395 20 0 FIADMP COCC[C@@H]1CCCC[NH+]([C@@H](C)CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274295 1119288824 /nfs/dbraw/zinc/28/88/24/1119288824.db2.gz FZFZRSSFVHHXBJ-FKBYEOEOSA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@@H]1CCCC[NH+](CC[C@H](C)[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274295 1119288828 /nfs/dbraw/zinc/28/88/28/1119288828.db2.gz FZFZRSSFVHHXBJ-FKBYEOEOSA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@@H]1CCCC[NH+](CC[C@H](C)[N@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274295 1119288830 /nfs/dbraw/zinc/28/88/30/1119288830.db2.gz FZFZRSSFVHHXBJ-FKBYEOEOSA-N 2 1 368.606 4.042 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1SC(F)F ZINC000152467371 1119322262 /nfs/dbraw/zinc/32/22/62/1119322262.db2.gz LJSOIKOKYZOFKG-STQMWFEESA-N 2 1 356.482 4.145 20 0 FIADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000177414608 1119329130 /nfs/dbraw/zinc/32/91/30/1119329130.db2.gz DUAGGGRIKGRHHL-QHCPKHFHSA-N 2 1 350.506 4.076 20 0 FIADMP C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311491845 1119376797 /nfs/dbraw/zinc/37/67/97/1119376797.db2.gz CFPPSZIMPIFVME-WGGBDISSSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000178392179 1119387289 /nfs/dbraw/zinc/38/72/89/1119387289.db2.gz BWHZGCNLNWYGJD-SFHVURJKSA-N 2 1 368.525 4.213 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000178392179 1119387296 /nfs/dbraw/zinc/38/72/96/1119387296.db2.gz BWHZGCNLNWYGJD-SFHVURJKSA-N 2 1 368.525 4.213 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311807397 1119389754 /nfs/dbraw/zinc/38/97/54/1119389754.db2.gz LHQQEMSQCKHTJH-KSEOMHKRSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817348 1119390578 /nfs/dbraw/zinc/39/05/78/1119390578.db2.gz PSSUEVXMTNUIIS-WMZOPIPTSA-N 2 1 360.448 4.461 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817348 1119390581 /nfs/dbraw/zinc/39/05/81/1119390581.db2.gz PSSUEVXMTNUIIS-WMZOPIPTSA-N 2 1 360.448 4.461 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000183190012 1119568333 /nfs/dbraw/zinc/56/83/33/1119568333.db2.gz ISLIZXFOBITWBC-IRFCIJBXSA-N 2 1 366.553 4.235 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000183190012 1119568337 /nfs/dbraw/zinc/56/83/37/1119568337.db2.gz ISLIZXFOBITWBC-IRFCIJBXSA-N 2 1 366.553 4.235 20 0 FIADMP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000183954859 1119590264 /nfs/dbraw/zinc/59/02/64/1119590264.db2.gz VAYOASUXKGUNLT-UHFFFAOYSA-N 2 1 372.557 4.009 20 0 FIADMP CN(CC[NH+](C)C1CC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000183954859 1119590266 /nfs/dbraw/zinc/59/02/66/1119590266.db2.gz VAYOASUXKGUNLT-UHFFFAOYSA-N 2 1 372.557 4.009 20 0 FIADMP CN(CC[NH+](C)C1CC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000183954859 1119590267 /nfs/dbraw/zinc/59/02/67/1119590267.db2.gz VAYOASUXKGUNLT-UHFFFAOYSA-N 2 1 372.557 4.009 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(SCC)c2)[C@H](C)C1 ZINC000185538589 1119670242 /nfs/dbraw/zinc/67/02/42/1119670242.db2.gz MDGJRILQRGYYAX-YLJYHZDGSA-N 2 1 350.572 4.025 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000187330486 1119777855 /nfs/dbraw/zinc/77/78/55/1119777855.db2.gz LFHZBLRIRJGZHE-IBGZPJMESA-N 2 1 367.537 4.215 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000187330486 1119777860 /nfs/dbraw/zinc/77/78/60/1119777860.db2.gz LFHZBLRIRJGZHE-IBGZPJMESA-N 2 1 367.537 4.215 20 0 FIADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000191638996 1119987638 /nfs/dbraw/zinc/98/76/38/1119987638.db2.gz PFORERLMQNCJDH-QFIPXVFZSA-N 2 1 368.496 4.205 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192929411 1120090919 /nfs/dbraw/zinc/09/09/19/1120090919.db2.gz QMIPIENNOAASIZ-JOCHJYFZSA-N 2 1 374.532 4.101 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)s2)c1 ZINC000193083261 1120098894 /nfs/dbraw/zinc/09/88/94/1120098894.db2.gz KDEFKBZBPUYAJK-GOSISDBHSA-N 2 1 367.518 4.057 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)s2)c1 ZINC000193083261 1120098904 /nfs/dbraw/zinc/09/89/04/1120098904.db2.gz KDEFKBZBPUYAJK-GOSISDBHSA-N 2 1 367.518 4.057 20 0 FIADMP CCO[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000193432045 1120143144 /nfs/dbraw/zinc/14/31/44/1120143144.db2.gz VVCPEZYKFHZWJF-HSZRJFAPSA-N 2 1 370.512 4.200 20 0 FIADMP CC(C)c1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000195659086 1120206958 /nfs/dbraw/zinc/20/69/58/1120206958.db2.gz MQIYLPANFOQCNR-UHFFFAOYSA-N 2 1 352.522 4.443 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494891609 1120358926 /nfs/dbraw/zinc/35/89/26/1120358926.db2.gz QLUSPRISNMCVPB-WOIUINJBSA-N 2 1 362.533 4.395 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2C)C2CCCC2)CC1 ZINC000494925027 1120381524 /nfs/dbraw/zinc/38/15/24/1120381524.db2.gz SKKNKWPEQRESKN-QHCPKHFHSA-N 2 1 357.586 4.234 20 0 FIADMP C[C@H](CCCCO)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670161066 1120762942 /nfs/dbraw/zinc/76/29/42/1120762942.db2.gz GHFAJUQERLZYAH-BDWVSVIHSA-N 2 1 364.961 4.395 20 0 FIADMP c1ccc(C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)c2ccccc2)cc1 ZINC000495485877 1120855278 /nfs/dbraw/zinc/85/52/78/1120855278.db2.gz YOUSSUKBOCDDCX-HSZRJFAPSA-N 2 1 364.533 4.205 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000236918708 1120971297 /nfs/dbraw/zinc/97/12/97/1120971297.db2.gz CTBURQVGGHMSNC-QHCPKHFHSA-N 2 1 352.522 4.443 20 0 FIADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000237621578 1120980371 /nfs/dbraw/zinc/98/03/71/1120980371.db2.gz IPJAOJXEUIELNR-BGYRXZFFSA-N 2 1 352.522 4.202 20 0 FIADMP Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000041873394 1121145726 /nfs/dbraw/zinc/14/57/26/1121145726.db2.gz UGQYOXFDTHJVHM-UHFFFAOYSA-N 2 1 374.488 4.058 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000397967150 1121326887 /nfs/dbraw/zinc/32/68/87/1121326887.db2.gz HGNHZZLENYRXLM-LLGFUMIMSA-N 2 1 356.485 4.396 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000397967150 1121326891 /nfs/dbraw/zinc/32/68/91/1121326891.db2.gz HGNHZZLENYRXLM-LLGFUMIMSA-N 2 1 356.485 4.396 20 0 FIADMP Brc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166263012 1121467565 /nfs/dbraw/zinc/46/75/65/1121467565.db2.gz KXZMXNJILWYYTB-ZWKOTPCHSA-N 2 1 363.343 4.087 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000061070295 1121506834 /nfs/dbraw/zinc/50/68/34/1121506834.db2.gz JANGABNVBJQWAE-UHFFFAOYSA-N 2 1 373.544 4.267 20 0 FIADMP COc1ccc(OCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000671739783 1121637300 /nfs/dbraw/zinc/63/73/00/1121637300.db2.gz SGMZSDZDDUJTGJ-UHFFFAOYSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000671741415 1121638314 /nfs/dbraw/zinc/63/83/14/1121638314.db2.gz LZKYFLNPQIPMJA-ZWKOTPCHSA-N 2 1 362.558 4.187 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@@H+]1C ZINC000123993947 1121652820 /nfs/dbraw/zinc/65/28/20/1121652820.db2.gz AYQUNHLQSPFETO-ICSRJNTNSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000123993947 1121652831 /nfs/dbraw/zinc/65/28/31/1121652831.db2.gz AYQUNHLQSPFETO-ICSRJNTNSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993947 1121652835 /nfs/dbraw/zinc/65/28/35/1121652835.db2.gz AYQUNHLQSPFETO-ICSRJNTNSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993947 1121652841 /nfs/dbraw/zinc/65/28/41/1121652841.db2.gz AYQUNHLQSPFETO-ICSRJNTNSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671747847 1121693857 /nfs/dbraw/zinc/69/38/57/1121693857.db2.gz RLJKTVGBLGCDQC-HOTGVXAUSA-N 2 1 365.477 4.410 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593538 1121711005 /nfs/dbraw/zinc/71/10/05/1121711005.db2.gz LHHILKRBXDCPTO-VXKWHMMOSA-N 2 1 354.538 4.246 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593538 1121711011 /nfs/dbraw/zinc/71/10/11/1121711011.db2.gz LHHILKRBXDCPTO-VXKWHMMOSA-N 2 1 354.538 4.246 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000125129982 1121749060 /nfs/dbraw/zinc/74/90/60/1121749060.db2.gz DXJRMASIRKQMTE-MSOLQXFVSA-N 2 1 366.505 4.334 20 0 FIADMP CCCC[N@@H+](C)CC1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000066960616 1121763160 /nfs/dbraw/zinc/76/31/60/1121763160.db2.gz RHWHVXQJPMJFBC-HNNXBMFYSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000066960616 1121763167 /nfs/dbraw/zinc/76/31/67/1121763167.db2.gz RHWHVXQJPMJFBC-HNNXBMFYSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000066960616 1121763175 /nfs/dbraw/zinc/76/31/75/1121763175.db2.gz RHWHVXQJPMJFBC-HNNXBMFYSA-N 2 1 362.543 4.303 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000125957449 1121885227 /nfs/dbraw/zinc/88/52/27/1121885227.db2.gz WQUIFOLUSQKHIT-UHFFFAOYSA-N 2 1 369.484 4.042 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000126546794 1121964355 /nfs/dbraw/zinc/96/43/55/1121964355.db2.gz AUGAXYCFWOCZIF-QFIPXVFZSA-N 2 1 373.585 4.031 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000126708221 1121978887 /nfs/dbraw/zinc/97/88/87/1121978887.db2.gz WWCXFMGDMZQEGI-RYUDHWBXSA-N 2 1 354.267 4.080 20 0 FIADMP C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792183 1121997975 /nfs/dbraw/zinc/99/79/75/1121997975.db2.gz PMATWTRQXKZETK-HRCADAONSA-N 2 1 360.498 4.068 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000126804560 1122000530 /nfs/dbraw/zinc/00/05/30/1122000530.db2.gz HPYARQTYTXHCLM-IERDGZPVSA-N 2 1 356.535 4.246 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000126804560 1122000538 /nfs/dbraw/zinc/00/05/38/1122000538.db2.gz HPYARQTYTXHCLM-IERDGZPVSA-N 2 1 356.535 4.246 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(F)c(F)c3)cc2)C1 ZINC000917008508 1122000763 /nfs/dbraw/zinc/00/07/63/1122000763.db2.gz KUSABSRGESQXPO-OPAMFIHVSA-N 2 1 374.475 4.020 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000126864200 1122019628 /nfs/dbraw/zinc/01/96/28/1122019628.db2.gz WVFQAOHPJAGXRY-NVXWUHKLSA-N 2 1 361.580 4.392 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000126864200 1122019636 /nfs/dbraw/zinc/01/96/36/1122019636.db2.gz WVFQAOHPJAGXRY-NVXWUHKLSA-N 2 1 361.580 4.392 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000066960806 1122116043 /nfs/dbraw/zinc/11/60/43/1122116043.db2.gz KYMRJYXIFATXKO-IBGZPJMESA-N 2 1 359.558 4.074 20 0 FIADMP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000128432148 1122290350 /nfs/dbraw/zinc/29/03/50/1122290350.db2.gz UNNHGIYSRRPHMO-QFIPXVFZSA-N 2 1 367.468 4.499 20 0 FIADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000497658541 1122341367 /nfs/dbraw/zinc/34/13/67/1122341367.db2.gz ZHQFCQUOOYPEGP-QZTJIDSGSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000497658541 1122341370 /nfs/dbraw/zinc/34/13/70/1122341370.db2.gz ZHQFCQUOOYPEGP-QZTJIDSGSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000497658541 1122341373 /nfs/dbraw/zinc/34/13/73/1122341373.db2.gz ZHQFCQUOOYPEGP-QZTJIDSGSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000539831489 1122370336 /nfs/dbraw/zinc/37/03/36/1122370336.db2.gz IMVZEBJJCAWQBB-AVRDEDQJSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000539831489 1122370342 /nfs/dbraw/zinc/37/03/42/1122370342.db2.gz IMVZEBJJCAWQBB-AVRDEDQJSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831489 1122370353 /nfs/dbraw/zinc/37/03/53/1122370353.db2.gz IMVZEBJJCAWQBB-AVRDEDQJSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831489 1122370355 /nfs/dbraw/zinc/37/03/55/1122370355.db2.gz IMVZEBJJCAWQBB-AVRDEDQJSA-N 2 1 350.506 4.106 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556057822 1122627231 /nfs/dbraw/zinc/62/72/31/1122627231.db2.gz WSNBRMQALWYYEJ-MJGOQNOKSA-N 2 1 372.896 4.036 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556057822 1122627235 /nfs/dbraw/zinc/62/72/35/1122627235.db2.gz WSNBRMQALWYYEJ-MJGOQNOKSA-N 2 1 372.896 4.036 20 0 FIADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556232842 1122749663 /nfs/dbraw/zinc/74/96/63/1122749663.db2.gz LGNIDBIDOUUSCD-BHIFYINESA-N 2 1 356.554 4.084 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498412256 1122780903 /nfs/dbraw/zinc/78/09/03/1122780903.db2.gz HDPRQIMRKUYTOW-OPAMFIHVSA-N 2 1 360.461 4.348 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000556480719 1122913614 /nfs/dbraw/zinc/91/36/14/1122913614.db2.gz KJHMUCMRTCNSFI-HSZRJFAPSA-N 2 1 357.586 4.195 20 0 FIADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556871815 1123153809 /nfs/dbraw/zinc/15/38/09/1123153809.db2.gz MXXHRQKNRHDLBI-YPIGPJMWSA-N 2 1 358.570 4.066 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(C)c1 ZINC000556873015 1123156742 /nfs/dbraw/zinc/15/67/42/1123156742.db2.gz UNJHWOBHRJLSMA-CVDCTZTESA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C)c1 ZINC000556873015 1123156748 /nfs/dbraw/zinc/15/67/48/1123156748.db2.gz UNJHWOBHRJLSMA-CVDCTZTESA-N 2 1 352.522 4.457 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000514926132 1123157395 /nfs/dbraw/zinc/15/73/95/1123157395.db2.gz XCTLFYXQADZBOM-SFLYRZDNSA-N 2 1 363.549 4.328 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000514926132 1123157397 /nfs/dbraw/zinc/15/73/97/1123157397.db2.gz XCTLFYXQADZBOM-SFLYRZDNSA-N 2 1 363.549 4.328 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000556887496 1123164227 /nfs/dbraw/zinc/16/42/27/1123164227.db2.gz YKBVIFKIDPXNGC-OEMFJLHTSA-N 2 1 363.549 4.295 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000556881333 1123168563 /nfs/dbraw/zinc/16/85/63/1123168563.db2.gz NQHGOYUSLCOLET-KBPBESRZSA-N 2 1 369.490 4.441 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000499068316 1123185370 /nfs/dbraw/zinc/18/53/70/1123185370.db2.gz HBKRKYCZTURQKN-IBGZPJMESA-N 2 1 357.404 4.172 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc2n[nH]cc2c1 ZINC000556923534 1123233005 /nfs/dbraw/zinc/23/30/05/1123233005.db2.gz KWIJFDYDYRLPFL-YOVFKVCWSA-N 2 1 360.505 4.124 20 0 FIADMP Cc1ccccc1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499139680 1123282775 /nfs/dbraw/zinc/28/27/75/1123282775.db2.gz QTDSXKUCRNHHMU-KOUNCHBCSA-N 2 1 350.506 4.159 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499142778 1123285045 /nfs/dbraw/zinc/28/50/45/1123285045.db2.gz QGMCQVMNGJLIRS-NUNAXRQHSA-N 2 1 364.533 4.413 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C ZINC000499144488 1123285824 /nfs/dbraw/zinc/28/58/24/1123285824.db2.gz DINVWEVKFXWUFR-DKUWSORSSA-N 2 1 350.506 4.289 20 0 FIADMP CCc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499173534 1123306153 /nfs/dbraw/zinc/30/61/53/1123306153.db2.gz WJEOSLZANXWEIT-JLLPCOHGSA-N 2 1 364.533 4.068 20 0 FIADMP CCc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499173534 1123306157 /nfs/dbraw/zinc/30/61/57/1123306157.db2.gz WJEOSLZANXWEIT-JLLPCOHGSA-N 2 1 364.533 4.068 20 0 FIADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235279 1123342798 /nfs/dbraw/zinc/34/27/98/1123342798.db2.gz PYZPTCJQGFDWIY-WLRLJWMZSA-N 2 1 368.496 4.378 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235281 1123342869 /nfs/dbraw/zinc/34/28/69/1123342869.db2.gz PYZPTCJQGFDWIY-ZIBCJSCZSA-N 2 1 368.496 4.378 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000515679086 1123443634 /nfs/dbraw/zinc/44/36/34/1123443634.db2.gz HBZMJKNUYNHASL-LADGPHEKSA-N 2 1 374.532 4.414 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000515679086 1123443637 /nfs/dbraw/zinc/44/36/37/1123443637.db2.gz HBZMJKNUYNHASL-LADGPHEKSA-N 2 1 374.532 4.414 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000515679085 1123443771 /nfs/dbraw/zinc/44/37/71/1123443771.db2.gz HBZMJKNUYNHASL-ISKFKSNPSA-N 2 1 374.532 4.414 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000515679085 1123443773 /nfs/dbraw/zinc/44/37/73/1123443773.db2.gz HBZMJKNUYNHASL-ISKFKSNPSA-N 2 1 374.532 4.414 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000133392281 1123483388 /nfs/dbraw/zinc/48/33/88/1123483388.db2.gz AUYILFNJBMXQFW-KRWDZBQOSA-N 2 1 355.448 4.330 20 0 FIADMP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133457184 1123489231 /nfs/dbraw/zinc/48/92/31/1123489231.db2.gz OJCXWOIGMUUUPJ-OAHLLOKOSA-N 2 1 361.555 4.232 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000136048036 1123828153 /nfs/dbraw/zinc/82/81/53/1123828153.db2.gz LJHFYGFFTPERNY-LLVKDONJSA-N 2 1 356.695 4.033 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000080517169 1123968236 /nfs/dbraw/zinc/96/82/36/1123968236.db2.gz NKHABXGKLVDKDU-LLVKDONJSA-N 2 1 356.695 4.033 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000245528803 1124109664 /nfs/dbraw/zinc/10/96/64/1124109664.db2.gz GEKYWHCESGIEIE-PZJWPPBQSA-N 2 1 372.553 4.040 20 0 FIADMP CC(C)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619571 1124146710 /nfs/dbraw/zinc/14/67/10/1124146710.db2.gz ZPCADMNLYRVTPB-FCNFAXOHSA-N 2 1 367.940 4.075 20 0 FIADMP CC(C)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619571 1124146713 /nfs/dbraw/zinc/14/67/13/1124146713.db2.gz ZPCADMNLYRVTPB-FCNFAXOHSA-N 2 1 367.940 4.075 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCOc4ccccc42)C3)cc1 ZINC000245652507 1124167312 /nfs/dbraw/zinc/16/73/12/1124167312.db2.gz CUUINBMNHBWJSY-MYGLTJDJSA-N 2 1 362.517 4.338 20 0 FIADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245687166 1124195828 /nfs/dbraw/zinc/19/58/28/1124195828.db2.gz JSYFDZQTRXCCOG-JOZNFPNDSA-N 3 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245687166 1124195835 /nfs/dbraw/zinc/19/58/35/1124195835.db2.gz JSYFDZQTRXCCOG-JOZNFPNDSA-N 2 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245687166 1124195843 /nfs/dbraw/zinc/19/58/43/1124195843.db2.gz JSYFDZQTRXCCOG-JOZNFPNDSA-N 2 1 363.549 4.033 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2[C@H]4CCO[C@@H]4C24CCCC4)C3)cc1 ZINC000245695103 1124204743 /nfs/dbraw/zinc/20/47/43/1124204743.db2.gz KYRYLTQLEWPNSF-NCKLTAKHSA-N 2 1 366.549 4.119 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000245702189 1124209759 /nfs/dbraw/zinc/20/97/59/1124209759.db2.gz MAHBLWOIVAUIIR-ACDBMABISA-N 2 1 355.551 4.033 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC2CC[NH+](C4CCCC4)CC2)C3)cc1 ZINC000245706075 1124211404 /nfs/dbraw/zinc/21/14/04/1124211404.db2.gz MKZGEVNTEUQMQT-VILGAWFOSA-N 2 1 367.581 4.179 20 0 FIADMP c1nc2ccccc2n1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710253 1124216146 /nfs/dbraw/zinc/21/61/46/1124216146.db2.gz NBPCMSIEKZBIEJ-KOUNCHBCSA-N 2 1 374.532 4.212 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245724531 1124220652 /nfs/dbraw/zinc/22/06/52/1124220652.db2.gz PGNWBGPJQALPEF-MVWVFHAYSA-N 2 1 350.506 4.108 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245733510 1124228064 /nfs/dbraw/zinc/22/80/64/1124228064.db2.gz QOBJSBLGUCDSKF-BJESRGMDSA-N 2 1 350.506 4.159 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245738841 1124231844 /nfs/dbraw/zinc/23/18/44/1124231844.db2.gz REKWBRWEKQTSBJ-DKUWSORSSA-N 2 1 374.532 4.130 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754485 1124241187 /nfs/dbraw/zinc/24/11/87/1124241187.db2.gz UPDBWZHKOGZTQE-MXEMCNAFSA-N 2 1 369.578 4.136 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246296238 1124438595 /nfs/dbraw/zinc/43/85/95/1124438595.db2.gz CTIHQGANNQOVFK-PWIZWCRZSA-N 2 1 362.583 4.217 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2c(s1)CCCC2 ZINC000542845585 1124446296 /nfs/dbraw/zinc/44/62/96/1124446296.db2.gz DAVXVJDWKWCNOP-OXQOHEQNSA-N 2 1 370.562 4.044 20 0 FIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000542848571 1124449211 /nfs/dbraw/zinc/44/92/11/1124449211.db2.gz RWLYHQQSGKKLPQ-XMSQKQJNSA-N 2 1 370.924 4.074 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccn1 ZINC000246834800 1124565129 /nfs/dbraw/zinc/56/51/29/1124565129.db2.gz BUYFLYCZIMNFQO-WMZHIEFXSA-N 2 1 367.537 4.179 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccn1 ZINC000246834800 1124565130 /nfs/dbraw/zinc/56/51/30/1124565130.db2.gz BUYFLYCZIMNFQO-WMZHIEFXSA-N 2 1 367.537 4.179 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247008262 1124580894 /nfs/dbraw/zinc/58/08/94/1124580894.db2.gz XFDGMJFNGQYZQR-AVRDEDQJSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247008262 1124580901 /nfs/dbraw/zinc/58/09/01/1124580901.db2.gz XFDGMJFNGQYZQR-AVRDEDQJSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247008262 1124580905 /nfs/dbraw/zinc/58/09/05/1124580905.db2.gz XFDGMJFNGQYZQR-AVRDEDQJSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247008262 1124580908 /nfs/dbraw/zinc/58/09/08/1124580908.db2.gz XFDGMJFNGQYZQR-AVRDEDQJSA-N 2 1 363.505 4.323 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247030488 1124583917 /nfs/dbraw/zinc/58/39/17/1124583917.db2.gz MFKFTCVTAXRQMN-ZHALLVOQSA-N 2 1 369.509 4.091 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247030488 1124583924 /nfs/dbraw/zinc/58/39/24/1124583924.db2.gz MFKFTCVTAXRQMN-ZHALLVOQSA-N 2 1 369.509 4.091 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](C)C1 ZINC000247149367 1124595004 /nfs/dbraw/zinc/59/50/04/1124595004.db2.gz WYMMBVAFZRFSGE-UWJYYQICSA-N 2 1 357.542 4.025 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](C)C1 ZINC000247149367 1124595017 /nfs/dbraw/zinc/59/50/17/1124595017.db2.gz WYMMBVAFZRFSGE-UWJYYQICSA-N 2 1 357.542 4.025 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247272068 1124614466 /nfs/dbraw/zinc/61/44/66/1124614466.db2.gz YDOFJISGHKOPGH-REWPJTCUSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247272068 1124614468 /nfs/dbraw/zinc/61/44/68/1124614468.db2.gz YDOFJISGHKOPGH-REWPJTCUSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247272068 1124614474 /nfs/dbraw/zinc/61/44/74/1124614474.db2.gz YDOFJISGHKOPGH-REWPJTCUSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247272068 1124614482 /nfs/dbraw/zinc/61/44/82/1124614482.db2.gz YDOFJISGHKOPGH-REWPJTCUSA-N 2 1 365.496 4.336 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247943601 1124732018 /nfs/dbraw/zinc/73/20/18/1124732018.db2.gz DGULPJOWVQFVNU-BXWFABGCSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247943601 1124732022 /nfs/dbraw/zinc/73/20/22/1124732022.db2.gz DGULPJOWVQFVNU-BXWFABGCSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000248031047 1124739289 /nfs/dbraw/zinc/73/92/89/1124739289.db2.gz QJHQVTASKQNDPP-FCEWJHQRSA-N 2 1 370.484 4.076 20 0 FIADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1C ZINC000248453060 1124771917 /nfs/dbraw/zinc/77/19/17/1124771917.db2.gz QGUJFVUCSKCLHO-KNQAVFIVSA-N 2 1 352.522 4.111 20 0 FIADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1Cl ZINC000090937123 1125028417 /nfs/dbraw/zinc/02/84/17/1125028417.db2.gz STGRKDMNXQQAAQ-CYBMUJFWSA-N 2 1 368.308 4.180 20 0 FIADMP CCCO[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000254928551 1125065731 /nfs/dbraw/zinc/06/57/31/1125065731.db2.gz YJVXXAKTHGWQHL-UQMQSGJDSA-N 2 1 366.590 4.105 20 0 FIADMP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)nc1 ZINC000093564184 1125439570 /nfs/dbraw/zinc/43/95/70/1125439570.db2.gz OMQQQZVWUQCXRC-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)nc1 ZINC000093564184 1125439575 /nfs/dbraw/zinc/43/95/75/1125439575.db2.gz OMQQQZVWUQCXRC-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000563120107 568224842 /nfs/dbraw/zinc/22/48/42/568224842.db2.gz RNYYBVOVAYVWJJ-LJQANCHMSA-N 2 1 353.535 4.090 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000563120107 568224843 /nfs/dbraw/zinc/22/48/43/568224843.db2.gz RNYYBVOVAYVWJJ-LJQANCHMSA-N 2 1 353.535 4.090 20 0 FIADMP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120167 568224957 /nfs/dbraw/zinc/22/49/57/568224957.db2.gz UUMJQEUDBRBVEO-XZOQPEGZSA-N 2 1 364.533 4.031 20 0 FIADMP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120167 568224958 /nfs/dbraw/zinc/22/49/58/568224958.db2.gz UUMJQEUDBRBVEO-XZOQPEGZSA-N 2 1 364.533 4.031 20 0 FIADMP Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1Oc1ccncc1 ZINC000604219461 568230325 /nfs/dbraw/zinc/23/03/25/568230325.db2.gz ICVDYIMJNVATAC-QZTJIDSGSA-N 2 1 367.493 4.175 20 0 FIADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130766 568262439 /nfs/dbraw/zinc/26/24/39/568262439.db2.gz VQMGPKKJDIQHGV-HNAYVOBHSA-N 2 1 374.912 4.097 20 0 FIADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130766 568262440 /nfs/dbraw/zinc/26/24/40/568262440.db2.gz VQMGPKKJDIQHGV-HNAYVOBHSA-N 2 1 374.912 4.097 20 0 FIADMP CCCO[C@@H]1CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594910 568333619 /nfs/dbraw/zinc/33/36/19/568333619.db2.gz HGBMYOQDTOZKBJ-BDTNDASRSA-N 2 1 368.606 4.327 20 0 FIADMP CCCO[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594910 568333620 /nfs/dbraw/zinc/33/36/20/568333620.db2.gz HGBMYOQDTOZKBJ-BDTNDASRSA-N 2 1 368.606 4.327 20 0 FIADMP CCCO[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594910 568333621 /nfs/dbraw/zinc/33/36/21/568333621.db2.gz HGBMYOQDTOZKBJ-BDTNDASRSA-N 2 1 368.606 4.327 20 0 FIADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccc(OC(F)(F)F)c2n1 ZINC000604881742 568383828 /nfs/dbraw/zinc/38/38/28/568383828.db2.gz VKHDMXBMRXZIHQ-KBPBESRZSA-N 2 1 365.399 4.481 20 0 FIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1 ZINC001164419798 718893369 /nfs/dbraw/zinc/89/33/69/718893369.db2.gz RDBISPNAAPOEHH-FCHUYYIVSA-N 2 1 370.585 4.377 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000619772560 1125700718 /nfs/dbraw/zinc/70/07/18/1125700718.db2.gz OKPSYQRAHUQCFB-LJQANCHMSA-N 2 1 356.485 4.226 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546626 1079663720 /nfs/dbraw/zinc/66/37/20/1079663720.db2.gz RWSZXMCQLRDWOE-IUODEOHRSA-N 2 1 355.309 4.471 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546625 1079663844 /nfs/dbraw/zinc/66/38/44/1079663844.db2.gz RWSZXMCQLRDWOE-DOMZBBRYSA-N 2 1 355.309 4.471 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ccc(F)cc2)cc1 ZINC000643548409 1079680258 /nfs/dbraw/zinc/68/02/58/1079680258.db2.gz OWUFOYKKXVJESX-PZJWPPBQSA-N 2 1 354.469 4.188 20 0 FIADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356916 1080155561 /nfs/dbraw/zinc/15/55/61/1080155561.db2.gz CEBPAYKWXZOYPY-NHCUHLMSSA-N 2 1 358.913 4.018 20 0 FIADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356916 1080155567 /nfs/dbraw/zinc/15/55/67/1080155567.db2.gz CEBPAYKWXZOYPY-NHCUHLMSSA-N 2 1 358.913 4.018 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000579860506 1080158236 /nfs/dbraw/zinc/15/82/36/1080158236.db2.gz KASILWJUYFPOKE-GFCCVEGCSA-N 2 1 362.271 4.126 20 0 FIADMP CN(CC[NH+]1CCCC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000118793892 1080189078 /nfs/dbraw/zinc/18/90/78/1080189078.db2.gz KGMDJWAMENZASX-UHFFFAOYSA-N 2 1 372.557 4.011 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000547738391 1080332101 /nfs/dbraw/zinc/33/21/01/1080332101.db2.gz BQKZGMFHCZDVPW-HQNXYIODSA-N 2 1 369.597 4.061 20 0 FIADMP CCOC(C)(C)C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001209072884 1080371380 /nfs/dbraw/zinc/37/13/80/1080371380.db2.gz OFWOSVGJCGQIHQ-UHFFFAOYSA-N 2 1 358.570 4.488 20 0 FIADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533534554 1080552806 /nfs/dbraw/zinc/55/28/06/1080552806.db2.gz XKJSPPFOYHAONC-APWZRJJASA-N 2 1 368.443 4.076 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000579914095 1080987108 /nfs/dbraw/zinc/98/71/08/1080987108.db2.gz PPPAJWVYMWYOMK-GUDVDZBRSA-N 2 1 372.582 4.010 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000579914095 1080987109 /nfs/dbraw/zinc/98/71/09/1080987109.db2.gz PPPAJWVYMWYOMK-GUDVDZBRSA-N 2 1 372.582 4.010 20 0 FIADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655704708 1081126829 /nfs/dbraw/zinc/12/68/29/1081126829.db2.gz IUWYVZYBOFSYAG-FQEVSTJZSA-N 2 1 364.961 4.241 20 0 FIADMP COc1ccccc1[C@@H](CC(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655718461 1081137093 /nfs/dbraw/zinc/13/70/93/1081137093.db2.gz JYHAXSFNKVQYCD-TZIWHRDSSA-N 2 1 360.542 4.015 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000655788981 1081201596 /nfs/dbraw/zinc/20/15/96/1081201596.db2.gz SNAODWDQKPAEEJ-FDFHNCONSA-N 2 1 354.538 4.121 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000655788981 1081201602 /nfs/dbraw/zinc/20/16/02/1081201602.db2.gz SNAODWDQKPAEEJ-FDFHNCONSA-N 2 1 354.538 4.121 20 0 FIADMP Cc1cnc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c(C)c1 ZINC000655806980 1081215575 /nfs/dbraw/zinc/21/55/75/1081215575.db2.gz HYHYOMOKVHWQOW-UHFFFAOYSA-N 2 1 351.538 4.274 20 0 FIADMP FC(F)(F)Oc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000655820806 1081232038 /nfs/dbraw/zinc/23/20/38/1081232038.db2.gz LYBTVNYICCQRNX-IAGOWNOFSA-N 2 1 368.443 4.223 20 0 FIADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000579952824 1081243560 /nfs/dbraw/zinc/24/35/60/1081243560.db2.gz QXRHEGYUMAYUKX-GOSISDBHSA-N 2 1 374.912 4.098 20 0 FIADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000579952824 1081243567 /nfs/dbraw/zinc/24/35/67/1081243567.db2.gz QXRHEGYUMAYUKX-GOSISDBHSA-N 2 1 374.912 4.098 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121414806 1081243851 /nfs/dbraw/zinc/24/38/51/1081243851.db2.gz KIEKLUHLJCMYNI-DLBZAZTESA-N 2 1 371.529 4.052 20 0 FIADMP CN(CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC001167307173 1081246917 /nfs/dbraw/zinc/24/69/17/1081246917.db2.gz RUFCNPTXGVFOLF-UHFFFAOYSA-N 2 1 365.565 4.357 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000137683292 1081264164 /nfs/dbraw/zinc/26/41/64/1081264164.db2.gz BEEYVSUFTWSAIU-OAQYLSRUSA-N 2 1 371.569 4.138 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC001648828685 1081266207 /nfs/dbraw/zinc/26/62/07/1081266207.db2.gz PTEQMVHCNYRYRS-MECCDNJOSA-N 2 1 350.506 4.210 20 0 FIADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001167310133 1081271088 /nfs/dbraw/zinc/27/10/88/1081271088.db2.gz NWKRCYXZDIJCPJ-DEOSSOPVSA-N 2 1 366.549 4.088 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC000121950744 1081277248 /nfs/dbraw/zinc/27/72/48/1081277248.db2.gz VIOQKTNPINGFIT-AOIWGVFYSA-N 2 1 374.525 4.229 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC000121950744 1081277254 /nfs/dbraw/zinc/27/72/54/1081277254.db2.gz VIOQKTNPINGFIT-AOIWGVFYSA-N 2 1 374.525 4.229 20 0 FIADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000312646489 1081508599 /nfs/dbraw/zinc/50/85/99/1081508599.db2.gz ITXAAHYQAJJCIJ-HXUWFJFHSA-N 2 1 368.569 4.110 20 0 FIADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000312646489 1081508606 /nfs/dbraw/zinc/50/86/06/1081508606.db2.gz ITXAAHYQAJJCIJ-HXUWFJFHSA-N 2 1 368.569 4.110 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)[C@@H]1c1cccs1 ZINC000683770591 1081530742 /nfs/dbraw/zinc/53/07/42/1081530742.db2.gz JPMRMSGEQUNPGX-TZIWHRDSSA-N 2 1 351.519 4.469 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)[C@@H]1c1cccs1 ZINC000683770591 1081530745 /nfs/dbraw/zinc/53/07/45/1081530745.db2.gz JPMRMSGEQUNPGX-TZIWHRDSSA-N 2 1 351.519 4.469 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816216 1081618367 /nfs/dbraw/zinc/61/83/67/1081618367.db2.gz NBZSUICJKYXKQM-LSWJPFSZSA-N 2 1 352.522 4.264 20 0 FIADMP C[N@@H+]1CC[C@@H](NCc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174938 1081732395 /nfs/dbraw/zinc/73/23/95/1081732395.db2.gz WYSXDTOWVFCAGJ-NVXWUHKLSA-N 2 1 365.340 4.436 20 0 FIADMP C[N@H+]1CC[C@@H](NCc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174938 1081732401 /nfs/dbraw/zinc/73/24/01/1081732401.db2.gz WYSXDTOWVFCAGJ-NVXWUHKLSA-N 2 1 365.340 4.436 20 0 FIADMP COCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000580209044 1081753710 /nfs/dbraw/zinc/75/37/10/1081753710.db2.gz USWVJVQBYYYYAW-QGZVFWFLSA-N 2 1 356.297 4.027 20 0 FIADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311135 1081823676 /nfs/dbraw/zinc/82/36/76/1081823676.db2.gz YLRLNFFVWILPAK-FSSWDIPSSA-N 2 1 356.554 4.224 20 0 FIADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311135 1081823682 /nfs/dbraw/zinc/82/36/82/1081823682.db2.gz YLRLNFFVWILPAK-FSSWDIPSSA-N 2 1 356.554 4.224 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638072 1082060453 /nfs/dbraw/zinc/06/04/53/1082060453.db2.gz QAHCDRGUGOSIFU-UGKGYDQZSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638072 1082060462 /nfs/dbraw/zinc/06/04/62/1082060462.db2.gz QAHCDRGUGOSIFU-UGKGYDQZSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638072 1082060470 /nfs/dbraw/zinc/06/04/70/1082060470.db2.gz QAHCDRGUGOSIFU-UGKGYDQZSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638072 1082060477 /nfs/dbraw/zinc/06/04/77/1082060477.db2.gz QAHCDRGUGOSIFU-UGKGYDQZSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101574 1082314874 /nfs/dbraw/zinc/31/48/74/1082314874.db2.gz MIZVAHPDPPJFQF-ODAXIHTASA-N 2 1 362.517 4.084 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313064544 1082345508 /nfs/dbraw/zinc/34/55/08/1082345508.db2.gz UOJLGIQPCOUFGH-WSTZPKSXSA-N 2 1 362.521 4.135 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313064544 1082345520 /nfs/dbraw/zinc/34/55/20/1082345520.db2.gz UOJLGIQPCOUFGH-WSTZPKSXSA-N 2 1 362.521 4.135 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000313064522 1082345844 /nfs/dbraw/zinc/34/58/44/1082345844.db2.gz UOJLGIQPCOUFGH-BJLQDIEVSA-N 2 1 362.521 4.135 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000313064522 1082345850 /nfs/dbraw/zinc/34/58/50/1082345850.db2.gz UOJLGIQPCOUFGH-BJLQDIEVSA-N 2 1 362.521 4.135 20 0 FIADMP C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155454 1082391356 /nfs/dbraw/zinc/39/13/56/1082391356.db2.gz GJXIFIJBSRRMAA-TZIWHRDSSA-N 2 1 352.522 4.344 20 0 FIADMP COc1cncc(/C=C\CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000581307756 1082447759 /nfs/dbraw/zinc/44/77/59/1082447759.db2.gz CYXQOWCRWBICLU-XQDHMALISA-N 2 1 362.477 4.338 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1scnc1C1CC1 ZINC000581429536 1082572234 /nfs/dbraw/zinc/57/22/34/1082572234.db2.gz PQYOHUZEVONNKQ-OALUTQOASA-N 2 1 355.551 4.193 20 0 FIADMP Cc1cccn2c(CNC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000581913466 1083028737 /nfs/dbraw/zinc/02/87/37/1083028737.db2.gz JOAKOAIRGDSBGV-OAQYLSRUSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1cccn2c(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000581913466 1083028744 /nfs/dbraw/zinc/02/87/44/1083028744.db2.gz JOAKOAIRGDSBGV-OAQYLSRUSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1cccn2c(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000581913466 1083028750 /nfs/dbraw/zinc/02/87/50/1083028750.db2.gz JOAKOAIRGDSBGV-OAQYLSRUSA-N 2 1 362.521 4.035 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913786 1083038258 /nfs/dbraw/zinc/03/82/58/1083038258.db2.gz AHOUXXJOQASBKY-KDOFPFPSSA-N 2 1 369.347 4.086 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913786 1083038262 /nfs/dbraw/zinc/03/82/62/1083038262.db2.gz AHOUXXJOQASBKY-KDOFPFPSSA-N 2 1 369.347 4.086 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@H](C)C1 ZINC000430758015 1083145948 /nfs/dbraw/zinc/14/59/48/1083145948.db2.gz YHQTVEOAHDYVQP-DRRHNWJESA-N 2 1 369.322 4.154 20 0 FIADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Br ZINC000430762017 1083156094 /nfs/dbraw/zinc/15/60/94/1083156094.db2.gz NNLDWTHMSOMSNN-FPCVCCKLSA-N 2 1 367.306 4.051 20 0 FIADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392864 1083213979 /nfs/dbraw/zinc/21/39/79/1083213979.db2.gz QICYTFUFBZNISZ-UHFFFAOYSA-N 2 1 357.542 4.184 20 0 FIADMP CC[C@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430926426 1083235781 /nfs/dbraw/zinc/23/57/81/1083235781.db2.gz GCZVYLHJPAWDPM-HSZRJFAPSA-N 2 1 357.586 4.266 20 0 FIADMP CC[C@H](c1ccccc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430926426 1083235788 /nfs/dbraw/zinc/23/57/88/1083235788.db2.gz GCZVYLHJPAWDPM-HSZRJFAPSA-N 3 1 357.586 4.266 20 0 FIADMP CC[C@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430926426 1083235792 /nfs/dbraw/zinc/23/57/92/1083235792.db2.gz GCZVYLHJPAWDPM-HSZRJFAPSA-N 3 1 357.586 4.266 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@H](C)CCc3c(F)cccc3F)CC2)[nH+]c1 ZINC000510718581 1083259668 /nfs/dbraw/zinc/25/96/68/1083259668.db2.gz SUDUETVZSZYJEA-MRXNPFEDSA-N 2 1 359.464 4.248 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)c(C)o2)c1 ZINC000431084283 1083330390 /nfs/dbraw/zinc/33/03/90/1083330390.db2.gz FZWSIVSNIHJCRS-OAHLLOKOSA-N 2 1 358.482 4.067 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCSCC1 ZINC000658319161 1083404424 /nfs/dbraw/zinc/40/44/24/1083404424.db2.gz XWYDAVIWOOFKDC-GHTZIAJQSA-N 2 1 358.595 4.410 20 0 FIADMP C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317938 1083404553 /nfs/dbraw/zinc/40/45/53/1083404553.db2.gz NZKLWAFMQJTBKB-TZIWHRDSSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317938 1083404566 /nfs/dbraw/zinc/40/45/66/1083404566.db2.gz NZKLWAFMQJTBKB-TZIWHRDSSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317938 1083404570 /nfs/dbraw/zinc/40/45/70/1083404570.db2.gz NZKLWAFMQJTBKB-TZIWHRDSSA-N 2 1 374.532 4.287 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318718 1083406465 /nfs/dbraw/zinc/40/64/65/1083406465.db2.gz SJLVZDQOFSVSEW-FGZHOGPDSA-N 2 1 361.533 4.351 20 0 FIADMP C[C@H](O)[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000658358940 1083429561 /nfs/dbraw/zinc/42/95/61/1083429561.db2.gz BBEDRGGYTHCJFC-QVYZHRQISA-N 2 1 352.522 4.141 20 0 FIADMP CCCCCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000548482326 1083454860 /nfs/dbraw/zinc/45/48/60/1083454860.db2.gz CWKRQROKWKOWOG-KNQAVFIVSA-N 2 1 368.569 4.382 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000510930633 1083491939 /nfs/dbraw/zinc/49/19/39/1083491939.db2.gz HNPBIOFQWXASDE-KRWDZBQOSA-N 2 1 366.278 4.224 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000510979033 1083554810 /nfs/dbraw/zinc/55/48/10/1083554810.db2.gz USSLCSWMEUNWGO-XERREHJYSA-N 2 1 360.517 4.454 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510980643 1083556312 /nfs/dbraw/zinc/55/63/12/1083556312.db2.gz YMVBCEVJQZTXKJ-WVBUVRCRSA-N 2 1 368.496 4.322 20 0 FIADMP CCSc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000472035203 1084126983 /nfs/dbraw/zinc/12/69/83/1084126983.db2.gz NTZAJEDMYAJFEE-SFHVURJKSA-N 2 1 370.562 4.309 20 0 FIADMP CCSc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000472035203 1084126993 /nfs/dbraw/zinc/12/69/93/1084126993.db2.gz NTZAJEDMYAJFEE-SFHVURJKSA-N 2 1 370.562 4.309 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014956 1084174052 /nfs/dbraw/zinc/17/40/52/1084174052.db2.gz SPSSPBHOMCGKDX-XMSQKQJNSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014956 1084174058 /nfs/dbraw/zinc/17/40/58/1084174058.db2.gz SPSSPBHOMCGKDX-XMSQKQJNSA-N 2 1 352.522 4.130 20 0 FIADMP CC[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497524 1084252185 /nfs/dbraw/zinc/25/21/85/1084252185.db2.gz JSXVBCSMQGYPKY-UZLBHIALSA-N 2 1 371.912 4.152 20 0 FIADMP Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000653178410 1084264575 /nfs/dbraw/zinc/26/45/75/1084264575.db2.gz XALOGXPNKZQLQX-FQEVSTJZSA-N 2 1 366.509 4.041 20 0 FIADMP C[C@H]1C[C@H](N(C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104698 1084299474 /nfs/dbraw/zinc/29/94/74/1084299474.db2.gz DPNJHZGKJYVWFZ-UONOGXRCSA-N 2 1 353.532 4.010 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1 ZINC000657311015 1084404556 /nfs/dbraw/zinc/40/45/56/1084404556.db2.gz VOYMCZCWOPNAQK-GOSISDBHSA-N 2 1 366.553 4.352 20 0 FIADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC001167529669 1084465591 /nfs/dbraw/zinc/46/55/91/1084465591.db2.gz QPMYPQPKQXAPGI-XMMPIXPASA-N 2 1 364.533 4.154 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000657313732 1084472771 /nfs/dbraw/zinc/47/27/71/1084472771.db2.gz NLPYTNWKCJZUFS-WOJBJXKFSA-N 2 1 372.459 4.260 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000657313732 1084472774 /nfs/dbraw/zinc/47/27/74/1084472774.db2.gz NLPYTNWKCJZUFS-WOJBJXKFSA-N 2 1 372.459 4.260 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000414085903 1084496686 /nfs/dbraw/zinc/49/66/86/1084496686.db2.gz YXURFMGFIIIYFW-RBUKOAKNSA-N 2 1 368.521 4.075 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000414085903 1084496703 /nfs/dbraw/zinc/49/67/03/1084496703.db2.gz YXURFMGFIIIYFW-RBUKOAKNSA-N 2 1 368.521 4.075 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000472140909 1084507203 /nfs/dbraw/zinc/50/72/03/1084507203.db2.gz VNSAXKNEWZWDIQ-HSZRJFAPSA-N 2 1 364.533 4.303 20 0 FIADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000511065705 1084564024 /nfs/dbraw/zinc/56/40/24/1084564024.db2.gz OZLYIISZGRIIRV-SDXDJHTJSA-N 2 1 365.521 4.198 20 0 FIADMP c1c2ccncc2sc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335324 1084622476 /nfs/dbraw/zinc/62/24/76/1084622476.db2.gz NQBUIWRSTRKXNY-SFHVURJKSA-N 2 1 351.519 4.298 20 0 FIADMP CC(C)c1[nH+]c(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c2ccccn21 ZINC000563257067 1084684086 /nfs/dbraw/zinc/68/40/86/1084684086.db2.gz GYHYKKZSHHZUMT-ZWKOTPCHSA-N 2 1 354.542 4.200 20 0 FIADMP CC(C)c1[nH+]c(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c2ccccn21 ZINC000563257067 1084684092 /nfs/dbraw/zinc/68/40/92/1084684092.db2.gz GYHYKKZSHHZUMT-ZWKOTPCHSA-N 2 1 354.542 4.200 20 0 FIADMP C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156912 1084715179 /nfs/dbraw/zinc/71/51/79/1084715179.db2.gz VOKDCMKQYFTFFG-QIOKEVSGSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccn(C)n1 ZINC000414156912 1084715188 /nfs/dbraw/zinc/71/51/88/1084715188.db2.gz VOKDCMKQYFTFFG-QIOKEVSGSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156912 1084715193 /nfs/dbraw/zinc/71/51/93/1084715193.db2.gz VOKDCMKQYFTFFG-QIOKEVSGSA-N 2 1 372.944 4.338 20 0 FIADMP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191433 1084775502 /nfs/dbraw/zinc/77/55/02/1084775502.db2.gz RWYKEDIKKRPDBM-VGSWGCGISA-N 2 1 356.485 4.245 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657374283 1084795371 /nfs/dbraw/zinc/79/53/71/1084795371.db2.gz HLMCKZGZDWWLPM-UHFFFAOYSA-N 2 1 354.429 4.088 20 0 FIADMP CCn1ccc(C[NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)n1 ZINC000414215716 1084837460 /nfs/dbraw/zinc/83/74/60/1084837460.db2.gz YISGAAUOSNFQDC-QFIPXVFZSA-N 2 1 372.532 4.385 20 0 FIADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414219984 1084846737 /nfs/dbraw/zinc/84/67/37/1084846737.db2.gz IKYNOWDUDYHSOF-CMOSFIGNSA-N 2 1 362.517 4.084 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237167023 1085097616 /nfs/dbraw/zinc/09/76/16/1085097616.db2.gz JSJAHWJTQCCTFW-OAQYLSRUSA-N 2 1 365.521 4.480 20 0 FIADMP COCc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000657461237 1085124586 /nfs/dbraw/zinc/12/45/86/1085124586.db2.gz FWSGWOZQVKYZTK-HXUWFJFHSA-N 2 1 358.551 4.285 20 0 FIADMP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000657461237 1085124590 /nfs/dbraw/zinc/12/45/90/1085124590.db2.gz FWSGWOZQVKYZTK-HXUWFJFHSA-N 2 1 358.551 4.285 20 0 FIADMP COc1ccc([C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccn2)cc1 ZINC000652137231 1085182020 /nfs/dbraw/zinc/18/20/20/1085182020.db2.gz DIHPBHDZRFSLDC-QHCPKHFHSA-N 2 1 361.489 4.031 20 0 FIADMP C[N@H+]1CC[C@]2(C1)CCCN(CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653648 1085202713 /nfs/dbraw/zinc/20/27/13/1085202713.db2.gz UCFFJHWSTKETGI-DEOSSOPVSA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653648 1085202728 /nfs/dbraw/zinc/20/27/28/1085202728.db2.gz UCFFJHWSTKETGI-DEOSSOPVSA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653648 1085202737 /nfs/dbraw/zinc/20/27/37/1085202737.db2.gz UCFFJHWSTKETGI-DEOSSOPVSA-N 2 1 364.533 4.210 20 0 FIADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)o1 ZINC000684995107 1085429317 /nfs/dbraw/zinc/42/93/17/1085429317.db2.gz PDPXSAPTCNCJDW-UHFFFAOYSA-N 2 1 363.889 4.089 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3noc4ccccc34)CC23CC3)cc1 ZINC000657534129 1085438963 /nfs/dbraw/zinc/43/89/63/1085438963.db2.gz SDXYUSCBFCIYBQ-LJQANCHMSA-N 2 1 361.489 4.157 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3noc4ccccc34)CC23CC3)cc1 ZINC000657534129 1085438970 /nfs/dbraw/zinc/43/89/70/1085438970.db2.gz SDXYUSCBFCIYBQ-LJQANCHMSA-N 2 1 361.489 4.157 20 0 FIADMP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000075799823 1085548050 /nfs/dbraw/zinc/54/80/50/1085548050.db2.gz BDRCNANHAJFVOT-UHFFFAOYSA-N 2 1 360.448 4.085 20 0 FIADMP C[N@H+](Cc1ccc(F)c2cccnc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110188 1085554344 /nfs/dbraw/zinc/55/43/44/1085554344.db2.gz DBNBQKJUWYSTOD-LJQANCHMSA-N 2 1 363.480 4.328 20 0 FIADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110188 1085554349 /nfs/dbraw/zinc/55/43/49/1085554349.db2.gz DBNBQKJUWYSTOD-LJQANCHMSA-N 2 1 363.480 4.328 20 0 FIADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110188 1085554358 /nfs/dbraw/zinc/55/43/58/1085554358.db2.gz DBNBQKJUWYSTOD-LJQANCHMSA-N 2 1 363.480 4.328 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C4CCCC4)cc3)cc2)C1 ZINC000657597544 1085669627 /nfs/dbraw/zinc/66/96/27/1085669627.db2.gz UNMOSUUMUQWGQP-XMMPIXPASA-N 2 1 364.533 4.201 20 0 FIADMP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784582 1085721643 /nfs/dbraw/zinc/72/16/43/1085721643.db2.gz DFBLSLGDSCXFTI-DHIUTWEWSA-N 2 1 364.533 4.031 20 0 FIADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784582 1085721650 /nfs/dbraw/zinc/72/16/50/1085721650.db2.gz DFBLSLGDSCXFTI-DHIUTWEWSA-N 2 1 364.533 4.031 20 0 FIADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143447901 1085756043 /nfs/dbraw/zinc/75/60/43/1085756043.db2.gz IHXBFVORRLEVMJ-UHFFFAOYSA-N 2 1 362.411 4.421 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143447901 1085756049 /nfs/dbraw/zinc/75/60/49/1085756049.db2.gz IHXBFVORRLEVMJ-UHFFFAOYSA-N 2 1 362.411 4.421 20 0 FIADMP COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647380 1086024204 /nfs/dbraw/zinc/02/42/04/1086024204.db2.gz MBWRTMSTDMLFLE-GGAORHGYSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647380 1086024211 /nfs/dbraw/zinc/02/42/11/1086024211.db2.gz MBWRTMSTDMLFLE-GGAORHGYSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647380 1086024218 /nfs/dbraw/zinc/02/42/18/1086024218.db2.gz MBWRTMSTDMLFLE-GGAORHGYSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001167647380 1086024233 /nfs/dbraw/zinc/02/42/33/1086024233.db2.gz MBWRTMSTDMLFLE-GGAORHGYSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647380 1086024245 /nfs/dbraw/zinc/02/42/45/1086024245.db2.gz MBWRTMSTDMLFLE-GGAORHGYSA-N 2 1 350.506 4.182 20 0 FIADMP Fc1ccccc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648673 1086032912 /nfs/dbraw/zinc/03/29/12/1086032912.db2.gz WKMYBUQSKPHJDD-GGAORHGYSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648673 1086032924 /nfs/dbraw/zinc/03/29/24/1086032924.db2.gz WKMYBUQSKPHJDD-GGAORHGYSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167648673 1086032937 /nfs/dbraw/zinc/03/29/37/1086032937.db2.gz WKMYBUQSKPHJDD-GGAORHGYSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167648673 1086032949 /nfs/dbraw/zinc/03/29/49/1086032949.db2.gz WKMYBUQSKPHJDD-GGAORHGYSA-N 2 1 352.497 4.355 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000796702862 1086212335 /nfs/dbraw/zinc/21/23/35/1086212335.db2.gz PVAVAGCVZNQFFM-LZBANZJXSA-N 2 1 368.569 4.331 20 0 FIADMP COc1cccc(OCC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001167659333 1086395238 /nfs/dbraw/zinc/39/52/38/1086395238.db2.gz QCULIGKKECPLLB-IBGZPJMESA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662311206 1086410049 /nfs/dbraw/zinc/41/00/49/1086410049.db2.gz AFLFDARHRRJCBS-CRAIPNDOSA-N 2 1 359.539 4.158 20 0 FIADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000662328918 1086418765 /nfs/dbraw/zinc/41/87/65/1086418765.db2.gz WNNZYKBFSOMUNQ-UHFFFAOYSA-N 2 1 374.532 4.410 20 0 FIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583292636 1086534395 /nfs/dbraw/zinc/53/43/95/1086534395.db2.gz UUTPPPVGTGZWEP-DZGCQCFKSA-N 2 1 356.432 4.154 20 0 FIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000583292636 1086534399 /nfs/dbraw/zinc/53/43/99/1086534399.db2.gz UUTPPPVGTGZWEP-DZGCQCFKSA-N 2 1 356.432 4.154 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466293 1086563194 /nfs/dbraw/zinc/56/31/94/1086563194.db2.gz QPCUAOJBWIOXRU-MAUKXSAKSA-N 2 1 367.459 4.189 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466294 1086563412 /nfs/dbraw/zinc/56/34/12/1086563412.db2.gz QPCUAOJBWIOXRU-QAPCUYQASA-N 2 1 367.459 4.189 20 0 FIADMP COC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467923 1086566647 /nfs/dbraw/zinc/56/66/47/1086566647.db2.gz IMPXYFNTQUSDCV-VQIMIIECSA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467923 1086566655 /nfs/dbraw/zinc/56/66/55/1086566655.db2.gz IMPXYFNTQUSDCV-VQIMIIECSA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467923 1086566663 /nfs/dbraw/zinc/56/66/63/1086566663.db2.gz IMPXYFNTQUSDCV-VQIMIIECSA-N 2 1 370.459 4.105 20 0 FIADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468935 1086570702 /nfs/dbraw/zinc/57/07/02/1086570702.db2.gz NOIAPLAPBRNZQX-GXTWGEPZSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1sccc1Br ZINC000663468935 1086570710 /nfs/dbraw/zinc/57/07/10/1086570710.db2.gz NOIAPLAPBRNZQX-GXTWGEPZSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468935 1086570717 /nfs/dbraw/zinc/57/07/17/1086570717.db2.gz NOIAPLAPBRNZQX-GXTWGEPZSA-N 2 1 357.361 4.283 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4occc4c3)CC2)cs1 ZINC000512004236 1086631123 /nfs/dbraw/zinc/63/11/23/1086631123.db2.gz CTZNQYSNHDXJNT-UHFFFAOYSA-N 2 1 369.534 4.454 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167841743 1086738995 /nfs/dbraw/zinc/73/89/95/1086738995.db2.gz PZHOLNHBJFOKKR-RTBURBONSA-N 2 1 369.594 4.076 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001167841732 1086739344 /nfs/dbraw/zinc/73/93/44/1086739344.db2.gz PRRYXWVEAQVNST-GOSISDBHSA-N 2 1 369.594 4.218 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC001167842372 1086745389 /nfs/dbraw/zinc/74/53/89/1086745389.db2.gz WPVYFNVGUUHCDZ-GGAORHGYSA-N 2 1 357.586 4.237 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000432423209 1086751533 /nfs/dbraw/zinc/75/15/33/1086751533.db2.gz XAGXWKGFKNIOIZ-LSJNQWAISA-N 2 1 370.459 4.042 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000432423209 1086751538 /nfs/dbraw/zinc/75/15/38/1086751538.db2.gz XAGXWKGFKNIOIZ-LSJNQWAISA-N 2 1 370.459 4.042 20 0 FIADMP CCCCc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706310 1086755697 /nfs/dbraw/zinc/75/56/97/1086755697.db2.gz ILUCNOWVVBCBKI-BSRJHKFKSA-N 2 1 370.537 4.494 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428241 1086756998 /nfs/dbraw/zinc/75/69/98/1086756998.db2.gz JEVBUPPNNJDJQT-QBKZBJQZSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428241 1086757001 /nfs/dbraw/zinc/75/70/01/1086757001.db2.gz JEVBUPPNNJDJQT-QBKZBJQZSA-N 2 1 358.570 4.470 20 0 FIADMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)c2)cc1 ZINC000650706825 1086759569 /nfs/dbraw/zinc/75/95/69/1086759569.db2.gz TWQWFAWCDMZIPZ-HJOGWXRNSA-N 2 1 364.533 4.380 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3c(F)cccc3F)CCCC2)s1 ZINC000512109614 1086776996 /nfs/dbraw/zinc/77/69/96/1086776996.db2.gz XMDZMCVLNZFGIT-UHFFFAOYSA-N 2 1 365.493 4.085 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000512123321 1086792769 /nfs/dbraw/zinc/79/27/69/1086792769.db2.gz NZDPKLVDGRTFNX-UHFFFAOYSA-N 2 1 368.521 4.370 20 0 FIADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000650719491 1086805385 /nfs/dbraw/zinc/80/53/85/1086805385.db2.gz RRHDLCXWJYALNI-UHFFFAOYSA-N 2 1 353.691 4.112 20 0 FIADMP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000512135415 1086814045 /nfs/dbraw/zinc/81/40/45/1086814045.db2.gz JYGATWGJJDFPOJ-PDGUBNMISA-N 2 1 356.460 4.132 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000650722573 1086820357 /nfs/dbraw/zinc/82/03/57/1086820357.db2.gz WRNDGROPTKXVQS-YFVAEKQCSA-N 2 1 374.912 4.461 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000650722572 1086820938 /nfs/dbraw/zinc/82/09/38/1086820938.db2.gz WRNDGROPTKXVQS-SLYNCCJLSA-N 2 1 374.912 4.461 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000650723008 1086822942 /nfs/dbraw/zinc/82/29/42/1086822942.db2.gz GFEKJMSDILSTOL-MISYRCLQSA-N 2 1 374.525 4.415 20 0 FIADMP COCC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657773890 1086855186 /nfs/dbraw/zinc/85/51/86/1086855186.db2.gz VOWCRMGIKFAYFO-ATKRNPRHSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC[NH2+]CC1 ZINC000246209798 1086908001 /nfs/dbraw/zinc/90/80/01/1086908001.db2.gz FTXCFVFHRNUDKR-ROUUACIJSA-N 2 1 357.542 4.025 20 0 FIADMP COCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccc1F ZINC000583752650 1086947505 /nfs/dbraw/zinc/94/75/05/1086947505.db2.gz VGOUQSUJLSQTDK-NRFANRHFSA-N 2 1 368.496 4.259 20 0 FIADMP COCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccc1F ZINC000583752650 1086947509 /nfs/dbraw/zinc/94/75/09/1086947509.db2.gz VGOUQSUJLSQTDK-NRFANRHFSA-N 2 1 368.496 4.259 20 0 FIADMP Oc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000584082874 1087159516 /nfs/dbraw/zinc/15/95/16/1087159516.db2.gz OVMQMVGIZJYKHL-MRXNPFEDSA-N 2 1 364.411 4.023 20 0 FIADMP Oc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000584082874 1087159519 /nfs/dbraw/zinc/15/95/19/1087159519.db2.gz OVMQMVGIZJYKHL-MRXNPFEDSA-N 2 1 364.411 4.023 20 0 FIADMP CCC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccn1 ZINC000159111320 1087205724 /nfs/dbraw/zinc/20/57/24/1087205724.db2.gz KEGLUWNQCDFSTB-IBGZPJMESA-N 2 1 356.514 4.029 20 0 FIADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657834450 1087214669 /nfs/dbraw/zinc/21/46/69/1087214669.db2.gz KBFYWRHNGZDPDH-TZMCWYRMSA-N 2 1 360.851 4.364 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000657836572 1087226360 /nfs/dbraw/zinc/22/63/60/1087226360.db2.gz WIGNQCNXYSZIDF-VXGBXAGGSA-N 2 1 357.723 4.237 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845364 1087291919 /nfs/dbraw/zinc/29/19/19/1087291919.db2.gz NJAPFPCXTFDFPG-SJORKVTESA-N 2 1 356.510 4.240 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1COc2ccccc21 ZINC000090845485 1087414814 /nfs/dbraw/zinc/41/48/14/1087414814.db2.gz LZTKUVGBBRCYFT-RUOSDFBUSA-N 2 1 350.506 4.194 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1COc2ccccc21 ZINC000090845485 1087414818 /nfs/dbraw/zinc/41/48/18/1087414818.db2.gz LZTKUVGBBRCYFT-RUOSDFBUSA-N 2 1 350.506 4.194 20 0 FIADMP Brc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062426679 1087599232 /nfs/dbraw/zinc/59/92/32/1087599232.db2.gz BNSHMXNFNOMVEX-LJQANCHMSA-N 2 1 373.338 4.451 20 0 FIADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)c(Cl)c1 ZINC000658028394 1087699019 /nfs/dbraw/zinc/69/90/19/1087699019.db2.gz DHQWBBNMSMDJSK-HLVVYCRESA-N 2 1 357.723 4.378 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658134555 1087728045 /nfs/dbraw/zinc/72/80/45/1087728045.db2.gz BGCZWMRGJAFLNG-UGKGYDQZSA-N 2 1 374.475 4.018 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658142493 1087734984 /nfs/dbraw/zinc/73/49/84/1087734984.db2.gz ZNCFVNOYZLQGNA-XZOQPEGZSA-N 2 1 370.512 4.269 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc2ccccc21 ZINC000658143664 1087735122 /nfs/dbraw/zinc/73/51/22/1087735122.db2.gz IDZYGIRGTMQWQL-XMSQKQJNSA-N 2 1 360.501 4.257 20 0 FIADMP [NH3+]C[C@@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275444 1087908274 /nfs/dbraw/zinc/90/82/74/1087908274.db2.gz AXHFDOORZYGGJP-MAUKXSAKSA-N 2 1 355.482 4.315 20 0 FIADMP [NH3+]C[C@@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275444 1087908279 /nfs/dbraw/zinc/90/82/79/1087908279.db2.gz AXHFDOORZYGGJP-MAUKXSAKSA-N 2 1 355.482 4.315 20 0 FIADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000414349306 1087922329 /nfs/dbraw/zinc/92/23/29/1087922329.db2.gz YWGAJRDUQYJSMI-URXFXBBRSA-N 2 1 364.533 4.095 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343561 1087953434 /nfs/dbraw/zinc/95/34/34/1087953434.db2.gz FTIAOXXFZRAASJ-USWKJHDZSA-N 2 1 356.554 4.082 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424375804 1087962897 /nfs/dbraw/zinc/96/28/97/1087962897.db2.gz KCFIUUBTTOLCRZ-OAHLLOKOSA-N 2 1 372.944 4.107 20 0 FIADMP CCOc1cccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000162751420 1087991135 /nfs/dbraw/zinc/99/11/35/1087991135.db2.gz RCCUNGGFSBTBRJ-QGZVFWFLSA-N 2 1 371.525 4.253 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CCN1C ZINC000180684851 1088012169 /nfs/dbraw/zinc/01/21/69/1088012169.db2.gz MAUXBKMVHCGRAW-OAOOKAIFSA-N 2 1 350.506 4.173 20 0 FIADMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504042 1088684937 /nfs/dbraw/zinc/68/49/37/1088684937.db2.gz RTALGWKULMKDBV-UTKZUKDTSA-N 2 1 355.913 4.176 20 0 FIADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504042 1088684943 /nfs/dbraw/zinc/68/49/43/1088684943.db2.gz RTALGWKULMKDBV-UTKZUKDTSA-N 2 1 355.913 4.176 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000514084810 1088725288 /nfs/dbraw/zinc/72/52/88/1088725288.db2.gz RMHDYABZYXWDGG-HRTMPFAESA-N 2 1 350.506 4.023 20 0 FIADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000514093592 1088740844 /nfs/dbraw/zinc/74/08/44/1088740844.db2.gz JTYISLIFZNNKKL-XXBNENTESA-N 2 1 367.537 4.228 20 0 FIADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000514131527 1088780064 /nfs/dbraw/zinc/78/00/64/1088780064.db2.gz ZNDFKGSRKIQYJA-QGZVFWFLSA-N 2 1 371.500 4.461 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000580249894 1088917881 /nfs/dbraw/zinc/91/78/81/1088917881.db2.gz QQMVOXIYHWSYCV-CTNGQTDRSA-N 2 1 354.542 4.417 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000580249894 1088917885 /nfs/dbraw/zinc/91/78/85/1088917885.db2.gz QQMVOXIYHWSYCV-CTNGQTDRSA-N 2 1 354.542 4.417 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000312433105 1089085666 /nfs/dbraw/zinc/08/56/66/1089085666.db2.gz AWDPONKOOCUEFQ-JOCHJYFZSA-N 2 1 363.549 4.157 20 0 FIADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415111537 1089165054 /nfs/dbraw/zinc/16/50/54/1089165054.db2.gz CGQYOKCWZTYRGB-XFQXTVEOSA-N 2 1 373.338 4.463 20 0 FIADMP C[NH+](C)[C@H]1CCOc2c(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000435023452 1089209573 /nfs/dbraw/zinc/20/95/73/1089209573.db2.gz KKONVTUCWYMUMP-KNQAVFIVSA-N 2 1 365.521 4.148 20 0 FIADMP COc1ccc2oc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2c1 ZINC000435060802 1089250158 /nfs/dbraw/zinc/25/01/58/1089250158.db2.gz VBFCVZSEBDNTAX-UHFFFAOYSA-N 2 1 365.477 4.354 20 0 FIADMP C[C@@H](Cn1cccn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549225481 1089283509 /nfs/dbraw/zinc/28/35/09/1089283509.db2.gz NDRWILFPEZIUJX-AZQUWAFASA-N 2 1 372.944 4.129 20 0 FIADMP C[C@H](CC1CCOCC1)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435424760 1089641274 /nfs/dbraw/zinc/64/12/74/1089641274.db2.gz ALLWPVVKIBTRRC-XLIONFOSSA-N 2 1 362.583 4.145 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000515067271 1089753734 /nfs/dbraw/zinc/75/37/34/1089753734.db2.gz AIXTZGALKFQGAO-QGZVFWFLSA-N 2 1 359.341 4.269 20 0 FIADMP Cc1ccccc1CCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694552 1089877624 /nfs/dbraw/zinc/87/76/24/1089877624.db2.gz LWHKUSJVAWGDJQ-LJQANCHMSA-N 2 1 355.551 4.028 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3C[C@H](c4ccccc4F)C3)sc2C1 ZINC000435784730 1089945414 /nfs/dbraw/zinc/94/54/14/1089945414.db2.gz HVSQRFRXPZKONO-SHTZXODSSA-N 2 1 359.514 4.085 20 0 FIADMP C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000378184447 1090201731 /nfs/dbraw/zinc/20/17/31/1090201731.db2.gz MNWMBHJVRADFGE-KRWDZBQOSA-N 2 1 365.477 4.133 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000416149776 1090229130 /nfs/dbraw/zinc/22/91/30/1090229130.db2.gz YEIBILLQKBBKDY-OAQYLSRUSA-N 2 1 351.494 4.044 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000416149776 1090229138 /nfs/dbraw/zinc/22/91/38/1090229138.db2.gz YEIBILLQKBBKDY-OAQYLSRUSA-N 2 1 351.494 4.044 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366483 1090626700 /nfs/dbraw/zinc/62/67/00/1090626700.db2.gz AJEKEVHFDFVFEF-FPOVZHCZSA-N 2 1 360.505 4.045 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366483 1090626708 /nfs/dbraw/zinc/62/67/08/1090626708.db2.gz AJEKEVHFDFVFEF-FPOVZHCZSA-N 2 1 360.505 4.045 20 0 FIADMP Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549464247 1090662149 /nfs/dbraw/zinc/66/21/49/1090662149.db2.gz QSPJSMDHUADXHZ-NRFANRHFSA-N 2 1 351.538 4.467 20 0 FIADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549464247 1090662151 /nfs/dbraw/zinc/66/21/51/1090662151.db2.gz QSPJSMDHUADXHZ-NRFANRHFSA-N 2 1 351.538 4.467 20 0 FIADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549464247 1090662155 /nfs/dbraw/zinc/66/21/55/1090662155.db2.gz QSPJSMDHUADXHZ-NRFANRHFSA-N 2 1 351.538 4.467 20 0 FIADMP Cc1nc(C(C)C)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549464247 1090662163 /nfs/dbraw/zinc/66/21/63/1090662163.db2.gz QSPJSMDHUADXHZ-NRFANRHFSA-N 2 1 351.538 4.467 20 0 FIADMP Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n(C)n1 ZINC000418035826 1091033070 /nfs/dbraw/zinc/03/30/70/1091033070.db2.gz BGXDAGWGXQUZBZ-ZJVRTDGDSA-N 2 1 372.944 4.086 20 0 FIADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500129808 1091056255 /nfs/dbraw/zinc/05/62/55/1091056255.db2.gz BRZIEETXJVXOFS-OAQYLSRUSA-N 2 1 365.993 4.385 20 0 FIADMP Cc1ccc(CC(C)(C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000418111210 1091067429 /nfs/dbraw/zinc/06/74/29/1091067429.db2.gz XKPNUTZNANOMNH-UHFFFAOYSA-N 2 1 357.567 4.329 20 0 FIADMP Cc1ccc(CC(C)(C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000418111210 1091067435 /nfs/dbraw/zinc/06/74/35/1091067435.db2.gz XKPNUTZNANOMNH-UHFFFAOYSA-N 2 1 357.567 4.329 20 0 FIADMP CC[N@@H+]1CC=C(c2cnc(NCCC[NH+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC001167752899 1091168245 /nfs/dbraw/zinc/16/82/45/1091168245.db2.gz ZEHNWPAIYVROPH-LJQANCHMSA-N 2 1 356.558 4.175 20 0 FIADMP CC[NH+]1CC=C(c2cnc(NCCC[N@@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC001167752899 1091168250 /nfs/dbraw/zinc/16/82/50/1091168250.db2.gz ZEHNWPAIYVROPH-LJQANCHMSA-N 2 1 356.558 4.175 20 0 FIADMP CC[NH+]1CC=C(c2cnc(NCCC[N@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC001167752899 1091168259 /nfs/dbraw/zinc/16/82/59/1091168259.db2.gz ZEHNWPAIYVROPH-LJQANCHMSA-N 2 1 356.558 4.175 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(C[NH+](C)C)ccc1Br ZINC001167753458 1091171662 /nfs/dbraw/zinc/17/16/62/1091171662.db2.gz ITKKFCHHZWUZON-HNNXBMFYSA-N 2 1 368.363 4.187 20 0 FIADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551006 1091244407 /nfs/dbraw/zinc/24/44/07/1091244407.db2.gz KCGCMNGZXRCDHD-PFPLVKHPSA-N 2 1 355.570 4.082 20 0 FIADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390551006 1091244418 /nfs/dbraw/zinc/24/44/18/1091244418.db2.gz KCGCMNGZXRCDHD-PFPLVKHPSA-N 3 1 355.570 4.082 20 0 FIADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551006 1091244432 /nfs/dbraw/zinc/24/44/32/1091244432.db2.gz KCGCMNGZXRCDHD-PFPLVKHPSA-N 3 1 355.570 4.082 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390685392 1091399494 /nfs/dbraw/zinc/39/94/94/1091399494.db2.gz XPVVBLFSSASETL-PGRDOPGGSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390685392 1091399507 /nfs/dbraw/zinc/39/95/07/1091399507.db2.gz XPVVBLFSSASETL-PGRDOPGGSA-N 2 1 352.522 4.214 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)c1OC ZINC000511694669 1091546291 /nfs/dbraw/zinc/54/62/91/1091546291.db2.gz BPRGUZFILPDMBO-HNNXBMFYSA-N 2 1 354.922 4.101 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc(Cl)c1OC ZINC000511694669 1091546300 /nfs/dbraw/zinc/54/63/00/1091546300.db2.gz BPRGUZFILPDMBO-HNNXBMFYSA-N 2 1 354.922 4.101 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000432795115 1092393753 /nfs/dbraw/zinc/39/37/53/1092393753.db2.gz VQLWRBVQOWAWGM-OAQYLSRUSA-N 2 1 366.553 4.141 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000432795115 1092393763 /nfs/dbraw/zinc/39/37/63/1092393763.db2.gz VQLWRBVQOWAWGM-OAQYLSRUSA-N 2 1 366.553 4.141 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000236668655 1092408453 /nfs/dbraw/zinc/40/84/53/1092408453.db2.gz YEMUVCNGZVYJMK-UHFFFAOYSA-N 2 1 374.912 4.241 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000432801433 1092428524 /nfs/dbraw/zinc/42/85/24/1092428524.db2.gz WMTULMOZHUQKGY-IBGZPJMESA-N 2 1 354.542 4.086 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000432801433 1092428531 /nfs/dbraw/zinc/42/85/31/1092428531.db2.gz WMTULMOZHUQKGY-IBGZPJMESA-N 2 1 354.542 4.086 20 0 FIADMP C[NH+](C)[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000521033140 1092436928 /nfs/dbraw/zinc/43/69/28/1092436928.db2.gz NDQPZUWUWCFXAU-QFIPXVFZSA-N 2 1 365.521 4.304 20 0 FIADMP CCc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)o2)cc1 ZINC000521083545 1092465922 /nfs/dbraw/zinc/46/59/22/1092465922.db2.gz GJQHHYZBGNPRBS-UNWVZKJWSA-N 2 1 368.521 4.193 20 0 FIADMP CCc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)o2)cc1 ZINC000521083545 1092465931 /nfs/dbraw/zinc/46/59/31/1092465931.db2.gz GJQHHYZBGNPRBS-UNWVZKJWSA-N 2 1 368.521 4.193 20 0 FIADMP c1cc2c(cc[nH+]c2NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)[nH]1 ZINC000663846604 1092635822 /nfs/dbraw/zinc/63/58/22/1092635822.db2.gz KOBVGTPNKDBZMQ-UHFFFAOYSA-N 2 1 373.460 4.294 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)C[C@H](C)O1 ZINC000442723083 1092748041 /nfs/dbraw/zinc/74/80/41/1092748041.db2.gz WSWCAUXUTXCJSY-BANKROOTSA-N 2 1 366.496 4.209 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000442788738 1092767671 /nfs/dbraw/zinc/76/76/71/1092767671.db2.gz XJORLHVYBXGJFJ-YZGWKJHDSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC[N@H+]1Cc1ccccc1 ZINC000442788738 1092767677 /nfs/dbraw/zinc/76/76/77/1092767677.db2.gz XJORLHVYBXGJFJ-YZGWKJHDSA-N 2 1 359.517 4.278 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110175676 1092789331 /nfs/dbraw/zinc/78/93/31/1092789331.db2.gz WHKBBUGAYAPKPO-FQEVSTJZSA-N 2 1 373.585 4.159 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110175676 1092789339 /nfs/dbraw/zinc/78/93/39/1092789339.db2.gz WHKBBUGAYAPKPO-FQEVSTJZSA-N 2 1 373.585 4.159 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110175676 1092789351 /nfs/dbraw/zinc/78/93/51/1092789351.db2.gz WHKBBUGAYAPKPO-FQEVSTJZSA-N 2 1 373.585 4.159 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000521844091 1092943305 /nfs/dbraw/zinc/94/33/05/1092943305.db2.gz LYRMMHJPFHZRKO-HXUWFJFHSA-N 2 1 374.532 4.279 20 0 FIADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000401786463 1092953454 /nfs/dbraw/zinc/95/34/54/1092953454.db2.gz ZXDTVFVOVXPJAN-JTQLQIEISA-N 2 1 365.321 4.351 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512612053 1092991252 /nfs/dbraw/zinc/99/12/52/1092991252.db2.gz NMUFKPLYXMYNSH-CZTZKLFOSA-N 2 1 367.537 4.190 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512612053 1092991255 /nfs/dbraw/zinc/99/12/55/1092991255.db2.gz NMUFKPLYXMYNSH-CZTZKLFOSA-N 2 1 367.537 4.190 20 0 FIADMP COC(=O)c1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168016356 1093084994 /nfs/dbraw/zinc/08/49/94/1093084994.db2.gz VMASDTDKAGLVSB-ROUUACIJSA-N 2 1 366.505 4.004 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@@H]1C ZINC000512673413 1093121001 /nfs/dbraw/zinc/12/10/01/1093121001.db2.gz QMTNXSCQHGAOBH-PWHSHALESA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@H]1C ZINC000512673412 1093121442 /nfs/dbraw/zinc/12/14/42/1093121442.db2.gz QMTNXSCQHGAOBH-MSYCTHLASA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CC([NH2+]CCC(=O)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017579 1093153500 /nfs/dbraw/zinc/15/35/00/1093153500.db2.gz BDTDKSSTJPFNAR-RTBURBONSA-N 2 1 350.506 4.291 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000121090398 1093157825 /nfs/dbraw/zinc/15/78/25/1093157825.db2.gz UBTREXQESOKPRE-WCJKSRRJSA-N 2 1 367.468 4.483 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018023 1093164395 /nfs/dbraw/zinc/16/43/95/1093164395.db2.gz YLYQWKPQAPNLAA-JHDGKUDLSA-N 2 1 374.532 4.404 20 0 FIADMP CC[C@H](C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OC ZINC000419236419 1093229964 /nfs/dbraw/zinc/22/99/64/1093229964.db2.gz KQRUKAXMTDYVPI-GOSISDBHSA-N 2 1 358.448 4.027 20 0 FIADMP CC[C@H](C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OC ZINC000419236419 1093229973 /nfs/dbraw/zinc/22/99/73/1093229973.db2.gz KQRUKAXMTDYVPI-GOSISDBHSA-N 2 1 358.448 4.027 20 0 FIADMP CCOC(=O)CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168021511 1093241512 /nfs/dbraw/zinc/24/15/12/1093241512.db2.gz PFQULMFBUMJQAZ-CEQLMSFQSA-N 2 1 360.542 4.141 20 0 FIADMP C[C@@H]1CC(n2cc(CC[NH3+])c3cnccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024458 1093392709 /nfs/dbraw/zinc/39/27/09/1093392709.db2.gz GYHITWIVXDWGDC-QZTJIDSGSA-N 2 1 362.521 4.152 20 0 FIADMP CC(C)n1ncc2cc(CN3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cnc21 ZINC000113934826 1093514927 /nfs/dbraw/zinc/51/49/27/1093514927.db2.gz YNPGLJAHBBXFRH-RBUKOAKNSA-N 2 1 369.557 4.099 20 0 FIADMP COCCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168028669 1093539596 /nfs/dbraw/zinc/53/95/96/1093539596.db2.gz PZVGXRMIBJOZLX-IRJINJETSA-N 2 1 366.549 4.407 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[N@H+]1Cc1ccccc1 ZINC000433310822 1093565505 /nfs/dbraw/zinc/56/55/05/1093565505.db2.gz JRLAMZDTQVPBMZ-MJGOQNOKSA-N 2 1 364.493 4.060 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@H+](CCC[NH+]4CCCCC4)CC3)c2c1 ZINC000034008244 1093590886 /nfs/dbraw/zinc/59/08/86/1093590886.db2.gz HXYXEVBCJPVJFP-UHFFFAOYSA-N 2 1 353.510 4.142 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CCC[NH+]4CCCCC4)CC3)c2c1 ZINC000034008244 1093590890 /nfs/dbraw/zinc/59/08/90/1093590890.db2.gz HXYXEVBCJPVJFP-UHFFFAOYSA-N 2 1 353.510 4.142 20 0 FIADMP Cc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168031831 1093656124 /nfs/dbraw/zinc/65/61/24/1093656124.db2.gz COIGELRGHKBMJH-IYRWYFENSA-N 2 1 352.522 4.060 20 0 FIADMP Cc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168031831 1093656127 /nfs/dbraw/zinc/65/61/27/1093656127.db2.gz COIGELRGHKBMJH-IYRWYFENSA-N 2 1 352.522 4.060 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433396336 1093668314 /nfs/dbraw/zinc/66/83/14/1093668314.db2.gz WCWKZSFXGHHGEY-HKUYNNGSSA-N 2 1 366.521 4.155 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433396336 1093668316 /nfs/dbraw/zinc/66/83/16/1093668316.db2.gz WCWKZSFXGHHGEY-HKUYNNGSSA-N 2 1 366.521 4.155 20 0 FIADMP COc1ccc2nc(CNCc3ccccc3C[N@@H+](C)C(C)C)sc2c1 ZINC000474358998 1093709810 /nfs/dbraw/zinc/70/98/10/1093709810.db2.gz UODATJDHSPKTOF-UHFFFAOYSA-N 2 1 369.534 4.435 20 0 FIADMP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+](C)C(C)C)sc2c1 ZINC000474358998 1093709816 /nfs/dbraw/zinc/70/98/16/1093709816.db2.gz UODATJDHSPKTOF-UHFFFAOYSA-N 2 1 369.534 4.435 20 0 FIADMP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+](C)C(C)C)sc2c1 ZINC000474358998 1093709821 /nfs/dbraw/zinc/70/98/21/1093709821.db2.gz UODATJDHSPKTOF-UHFFFAOYSA-N 2 1 369.534 4.435 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000327403343 1093718573 /nfs/dbraw/zinc/71/85/73/1093718573.db2.gz VDYSXFFEWOBGKX-CABCVRRESA-N 2 1 366.349 4.441 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000327403343 1093718581 /nfs/dbraw/zinc/71/85/81/1093718581.db2.gz VDYSXFFEWOBGKX-CABCVRRESA-N 2 1 366.349 4.441 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000067222627 1093719254 /nfs/dbraw/zinc/71/92/54/1093719254.db2.gz IVFIUKJPHDGMOL-KRWDZBQOSA-N 2 1 373.928 4.136 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000067222627 1093719263 /nfs/dbraw/zinc/71/92/63/1093719263.db2.gz IVFIUKJPHDGMOL-KRWDZBQOSA-N 2 1 373.928 4.136 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000513065087 1093721166 /nfs/dbraw/zinc/72/11/66/1093721166.db2.gz QEVZVPSGFCNNOK-LPHOPBHVSA-N 2 1 357.567 4.199 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000513065087 1093721170 /nfs/dbraw/zinc/72/11/70/1093721170.db2.gz QEVZVPSGFCNNOK-LPHOPBHVSA-N 2 1 357.567 4.199 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034085 1093738771 /nfs/dbraw/zinc/73/87/71/1093738771.db2.gz OHFUEWBGNDUZNT-KZTDQWPFSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034085 1093738775 /nfs/dbraw/zinc/73/87/75/1093738775.db2.gz OHFUEWBGNDUZNT-KZTDQWPFSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034085 1093738782 /nfs/dbraw/zinc/73/87/82/1093738782.db2.gz OHFUEWBGNDUZNT-KZTDQWPFSA-N 2 1 369.597 4.282 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078919 1093780240 /nfs/dbraw/zinc/78/02/40/1093780240.db2.gz XNNNSPANOYARGD-ILWGZMRPSA-N 2 1 369.553 4.305 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513085339 1093787015 /nfs/dbraw/zinc/78/70/15/1093787015.db2.gz ZSPRBYNPFZOYSP-UYAOXDASSA-N 2 1 362.521 4.138 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513085339 1093787020 /nfs/dbraw/zinc/78/70/20/1093787020.db2.gz ZSPRBYNPFZOYSP-UYAOXDASSA-N 2 1 362.521 4.138 20 0 FIADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(F)F ZINC000513365669 1094082715 /nfs/dbraw/zinc/08/27/15/1094082715.db2.gz RRCGKMQESSSOFY-GDBMZVCRSA-N 2 1 368.468 4.039 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513415477 1094114553 /nfs/dbraw/zinc/11/45/53/1094114553.db2.gz JQFSPLXLZZUBHH-IBGZPJMESA-N 2 1 352.526 4.165 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513415477 1094114556 /nfs/dbraw/zinc/11/45/56/1094114556.db2.gz JQFSPLXLZZUBHH-IBGZPJMESA-N 2 1 352.526 4.165 20 0 FIADMP COCc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513487681 1094158258 /nfs/dbraw/zinc/15/82/58/1094158258.db2.gz IQOZTGBOZOPEIT-DENIHFKCSA-N 2 1 352.522 4.223 20 0 FIADMP Cc1cccn2c(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cnc12 ZINC000513494991 1094162100 /nfs/dbraw/zinc/16/21/00/1094162100.db2.gz LCXVTFDYKCMLMS-PZJWPPBQSA-N 2 1 362.521 4.033 20 0 FIADMP Cc1ccc2ncc(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)n2c1 ZINC000513500297 1094173054 /nfs/dbraw/zinc/17/30/54/1094173054.db2.gz LTEXZIYGTUBQON-FPOVZHCZSA-N 2 1 362.521 4.033 20 0 FIADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513501972 1094173798 /nfs/dbraw/zinc/17/37/98/1094173798.db2.gz WEFQSXYXOKQWTE-NQIIRXRSSA-N 2 1 365.521 4.035 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000513502230 1094173863 /nfs/dbraw/zinc/17/38/63/1094173863.db2.gz YGOQPOCPQVIIEX-PZJWPPBQSA-N 2 1 374.532 4.467 20 0 FIADMP C[NH+](CCC(F)(F)F)Cc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1 ZINC000513652663 1094255444 /nfs/dbraw/zinc/25/54/44/1094255444.db2.gz AZBIZKZCJCGCRQ-UHFFFAOYSA-N 2 1 356.354 4.455 20 0 FIADMP CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513678614 1094269651 /nfs/dbraw/zinc/26/96/51/1094269651.db2.gz PVOGIMNQNKQHER-FDFHNCONSA-N 2 1 358.570 4.066 20 0 FIADMP C[C@@H]1CC([NH2+]Cc2cncn2CC2CCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036934 1094323883 /nfs/dbraw/zinc/32/38/83/1094323883.db2.gz WDWZIEFSEJGMFG-RTBURBONSA-N 2 1 366.553 4.214 20 0 FIADMP CC(C)c1ccc(C[C@@H]2CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000501030364 1094429933 /nfs/dbraw/zinc/42/99/33/1094429933.db2.gz UTJPGYTVRRLGKD-QHCPKHFHSA-N 2 1 371.613 4.091 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCc3c(O)cccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039698 1094450013 /nfs/dbraw/zinc/45/00/13/1094450013.db2.gz HKSMVUIXDMJZOO-RMFSNUHRSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCc3c(O)cccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039698 1094450026 /nfs/dbraw/zinc/45/00/26/1094450026.db2.gz HKSMVUIXDMJZOO-RMFSNUHRSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3c(O)cccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039698 1094450038 /nfs/dbraw/zinc/45/00/38/1094450038.db2.gz HKSMVUIXDMJZOO-RMFSNUHRSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCc3c(O)cccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039698 1094450046 /nfs/dbraw/zinc/45/00/46/1094450046.db2.gz HKSMVUIXDMJZOO-RMFSNUHRSA-N 2 1 350.506 4.192 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000474622056 1094452588 /nfs/dbraw/zinc/45/25/88/1094452588.db2.gz YLUMODUTFCJTMS-UHFFFAOYSA-N 2 1 370.493 4.122 20 0 FIADMP C[N@H+](Cc1ncc(-c2cccs2)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066581 1094478118 /nfs/dbraw/zinc/47/81/18/1094478118.db2.gz FUKFYXPQRWMGJM-UHFFFAOYSA-N 2 1 368.506 4.147 20 0 FIADMP COc1ccc2c(c1)CC[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168040233 1094505453 /nfs/dbraw/zinc/50/54/53/1094505453.db2.gz LKIOQXLVRMAAOB-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)CC[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168040233 1094505455 /nfs/dbraw/zinc/50/54/55/1094505455.db2.gz LKIOQXLVRMAAOB-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)CC[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168040233 1094505462 /nfs/dbraw/zinc/50/54/62/1094505462.db2.gz LKIOQXLVRMAAOB-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)CC[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168040233 1094505469 /nfs/dbraw/zinc/50/54/69/1094505469.db2.gz LKIOQXLVRMAAOB-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040477 1094513685 /nfs/dbraw/zinc/51/36/85/1094513685.db2.gz NHNQEXXWRYRELC-OPVJXMOQSA-N 2 1 372.553 4.140 20 0 FIADMP CC(C)Sc1cccc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000474730289 1094546095 /nfs/dbraw/zinc/54/60/95/1094546095.db2.gz PAKGNJLDCGQJJP-MRXNPFEDSA-N 2 1 370.990 4.167 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000474734127 1094547747 /nfs/dbraw/zinc/54/77/47/1094547747.db2.gz ZQHISCNFSONIKZ-TWEIKEKHSA-N 2 1 372.553 4.314 20 0 FIADMP CC(C)c1nc(CC[N@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC001168041599 1094600443 /nfs/dbraw/zinc/60/04/43/1094600443.db2.gz UBRYCECCPNBFOR-QZTJIDSGSA-N 2 1 370.541 4.109 20 0 FIADMP CC(C)c1nc(CC[N@@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC001168041599 1094600453 /nfs/dbraw/zinc/60/04/53/1094600453.db2.gz UBRYCECCPNBFOR-QZTJIDSGSA-N 2 1 370.541 4.109 20 0 FIADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CCCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042048 1094669872 /nfs/dbraw/zinc/66/98/72/1094669872.db2.gz YHAHYUCOZFHHQK-RUMRUAAYSA-N 2 1 369.597 4.378 20 0 FIADMP Cc1cc(N2CCC([NH2+]C[C@@H](CC(C)C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000474878937 1094826672 /nfs/dbraw/zinc/82/66/72/1094826672.db2.gz OWGQOAKRAPNUTC-OAQYLSRUSA-N 2 1 366.553 4.482 20 0 FIADMP Cc1ccc(CCC[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000474881342 1094844946 /nfs/dbraw/zinc/84/49/46/1094844946.db2.gz VWQQKVARSJIZRM-NZQKXSOJSA-N 2 1 351.538 4.213 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000420308461 1094873390 /nfs/dbraw/zinc/87/33/90/1094873390.db2.gz KEIRXRKVRMZTBZ-ICSRJNTNSA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000420308461 1094873400 /nfs/dbraw/zinc/87/34/00/1094873400.db2.gz KEIRXRKVRMZTBZ-ICSRJNTNSA-N 2 1 355.551 4.193 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c1cccc2Cl ZINC000420312050 1094876681 /nfs/dbraw/zinc/87/66/81/1094876681.db2.gz OBPNVTPOXBQBOA-RDTXWAMCSA-N 2 1 361.942 4.204 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2c1cccc2Cl ZINC000420312050 1094876700 /nfs/dbraw/zinc/87/67/00/1094876700.db2.gz OBPNVTPOXBQBOA-RDTXWAMCSA-N 2 1 361.942 4.204 20 0 FIADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315022 1094877599 /nfs/dbraw/zinc/87/75/99/1094877599.db2.gz RKSPEYBYAUNEJJ-HTAPYJJXSA-N 2 1 361.489 4.153 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344312 1094887090 /nfs/dbraw/zinc/88/70/90/1094887090.db2.gz SRZLLNFZYLRIRR-OAQYLSRUSA-N 2 1 371.569 4.336 20 0 FIADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000501770067 1094915908 /nfs/dbraw/zinc/91/59/08/1094915908.db2.gz LXXFHWZDNSYWOE-UHFFFAOYSA-N 2 1 371.594 4.482 20 0 FIADMP c1sc(-c2ccccc2)nc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000210291368 1094950265 /nfs/dbraw/zinc/95/02/65/1094950265.db2.gz UIRIJSKPTMDRCG-LJQANCHMSA-N 2 1 363.530 4.422 20 0 FIADMP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000501935881 1095018322 /nfs/dbraw/zinc/01/83/22/1095018322.db2.gz QSAZBELBTVPRSU-KRWDZBQOSA-N 2 1 358.913 4.066 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000502254652 1095273458 /nfs/dbraw/zinc/27/34/58/1095273458.db2.gz NVPPJGPGUNJRRB-KNQAVFIVSA-N 2 1 356.554 4.500 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1F ZINC000280897474 1095452648 /nfs/dbraw/zinc/45/26/48/1095452648.db2.gz PLPRJXMKNSJTIW-NRFANRHFSA-N 2 1 350.441 4.346 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000421334781 1095547723 /nfs/dbraw/zinc/54/77/23/1095547723.db2.gz QSIYEFWQHGUJOH-GOSISDBHSA-N 2 1 364.537 4.239 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCSCC5)[C@H]3C2)cc1 ZINC000421384112 1095587306 /nfs/dbraw/zinc/58/73/06/1095587306.db2.gz OWHBYWHNGQTVFA-TUFLPTIASA-N 2 1 356.579 4.020 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000502880428 1095917611 /nfs/dbraw/zinc/91/76/11/1095917611.db2.gz ISBCPRXSUYPSRL-QFIPXVFZSA-N 2 1 355.526 4.004 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000502880428 1095917615 /nfs/dbraw/zinc/91/76/15/1095917615.db2.gz ISBCPRXSUYPSRL-QFIPXVFZSA-N 2 1 355.526 4.004 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CC24CCSCC4)C3)cc1 ZINC000421872270 1095980752 /nfs/dbraw/zinc/98/07/52/1095980752.db2.gz GNLOTSVIFWUHJK-BURNTYAHSA-N 2 1 356.579 4.305 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074294 1096052937 /nfs/dbraw/zinc/05/29/37/1096052937.db2.gz QJOPOUFOBPDRHL-ICSRJNTNSA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074294 1096052951 /nfs/dbraw/zinc/05/29/51/1096052951.db2.gz QJOPOUFOBPDRHL-ICSRJNTNSA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074294 1096052963 /nfs/dbraw/zinc/05/29/63/1096052963.db2.gz QJOPOUFOBPDRHL-ICSRJNTNSA-N 2 1 374.573 4.246 20 0 FIADMP CC(C[NH+](C)C[C@@H](C)c1nccs1)C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000273087630 1096232477 /nfs/dbraw/zinc/23/24/77/1096232477.db2.gz SBTZFADDVNQVQG-HZPDHXFCSA-N 2 1 366.600 4.007 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414653907 1096342011 /nfs/dbraw/zinc/34/20/11/1096342011.db2.gz IPNJQSFILRRXET-WCRBZPEASA-N 2 1 350.506 4.385 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414653907 1096342014 /nfs/dbraw/zinc/34/20/14/1096342014.db2.gz IPNJQSFILRRXET-WCRBZPEASA-N 2 1 350.506 4.385 20 0 FIADMP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503428738 1096395533 /nfs/dbraw/zinc/39/55/33/1096395533.db2.gz HWXRJOBXUYDVNE-CTNGQTDRSA-N 2 1 353.510 4.177 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422693218 1096464228 /nfs/dbraw/zinc/46/42/28/1096464228.db2.gz LHZXIXUHINZGMQ-MJGOQNOKSA-N 2 1 369.509 4.140 20 0 FIADMP CCc1cc(OC)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000503559219 1096473925 /nfs/dbraw/zinc/47/39/25/1096473925.db2.gz DBCHFHSIZRYIHH-UHFFFAOYSA-N 2 1 353.510 4.001 20 0 FIADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(C(F)(F)F)c1 ZINC000422840872 1096502377 /nfs/dbraw/zinc/50/23/77/1096502377.db2.gz USGANUAKTQHXTK-GXTWGEPZSA-N 2 1 353.388 4.021 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886584 1096514445 /nfs/dbraw/zinc/51/44/45/1096514445.db2.gz XCCPQPFGSMQNBW-ZWKOTPCHSA-N 3 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422886584 1096514447 /nfs/dbraw/zinc/51/44/47/1096514447.db2.gz XCCPQPFGSMQNBW-ZWKOTPCHSA-N 2 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886584 1096514452 /nfs/dbraw/zinc/51/44/52/1096514452.db2.gz XCCPQPFGSMQNBW-ZWKOTPCHSA-N 2 1 366.553 4.074 20 0 FIADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893447 1096525087 /nfs/dbraw/zinc/52/50/87/1096525087.db2.gz QPOVVOJNPOSJAY-TUAOUCFPSA-N 2 1 368.344 4.349 20 0 FIADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Sc1ccc(Br)cc1 ZINC000422959550 1096540097 /nfs/dbraw/zinc/54/00/97/1096540097.db2.gz SRJLKQVJWXYYHG-RYUDHWBXSA-N 2 1 366.328 4.088 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Sc1ccc(Br)cc1 ZINC000422959548 1096540662 /nfs/dbraw/zinc/54/06/62/1096540662.db2.gz SRJLKQVJWXYYHG-NEPJUHHUSA-N 2 1 366.328 4.088 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1c[nH+]ccc1N ZINC000422970391 1096542395 /nfs/dbraw/zinc/54/23/95/1096542395.db2.gz WIMPBEWYWARDPY-KRWDZBQOSA-N 3 1 360.505 4.074 20 0 FIADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1Cl ZINC000423019246 1096550521 /nfs/dbraw/zinc/55/05/21/1096550521.db2.gz UVENXWIRLXGPFC-RCOXNQKVSA-N 2 1 374.887 4.392 20 0 FIADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423041822 1096558844 /nfs/dbraw/zinc/55/88/44/1096558844.db2.gz JWZWIOCQPCPMCZ-XEZPLFJOSA-N 2 1 360.468 4.024 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503855340 1096567920 /nfs/dbraw/zinc/56/79/20/1096567920.db2.gz CZFCJZQYJOJPAS-NXWXRZEISA-N 2 1 352.469 4.180 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503855340 1096567924 /nfs/dbraw/zinc/56/79/24/1096567924.db2.gz CZFCJZQYJOJPAS-NXWXRZEISA-N 2 1 352.469 4.180 20 0 FIADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092267 1096571848 /nfs/dbraw/zinc/57/18/48/1096571848.db2.gz BEOPSRGASPKQHZ-GALXQHASSA-N 2 1 362.439 4.500 20 0 FIADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423144103 1096595728 /nfs/dbraw/zinc/59/57/28/1096595728.db2.gz YLOUKVKOJDEPEK-JRJVTICQSA-N 2 1 373.338 4.243 20 0 FIADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc21 ZINC000423185112 1096596686 /nfs/dbraw/zinc/59/66/86/1096596686.db2.gz JCWWZBNRLLNREF-MRXNPFEDSA-N 2 1 353.466 4.057 20 0 FIADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000503950479 1096603292 /nfs/dbraw/zinc/60/32/92/1096603292.db2.gz UHFIVSARMDGUJI-USYVTKNRSA-N 2 1 364.480 4.037 20 0 FIADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C(c1ccccc1)c1ccccc1 ZINC000423180977 1096606003 /nfs/dbraw/zinc/60/60/03/1096606003.db2.gz BPBZWEZSRQZGDI-FQEVSTJZSA-N 2 1 359.517 4.372 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180990 1096606343 /nfs/dbraw/zinc/60/63/43/1096606343.db2.gz BRKDLALWTPEHOZ-RDTXWAMCSA-N 2 1 374.326 4.162 20 0 FIADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000423191533 1096612436 /nfs/dbraw/zinc/61/24/36/1096612436.db2.gz STKNKAWNKGZBIJ-INIZCTEOSA-N 2 1 361.917 4.353 20 0 FIADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287019 1096635231 /nfs/dbraw/zinc/63/52/31/1096635231.db2.gz JWYAPJYTTOHJHJ-SNVBAGLBSA-N 2 1 368.344 4.269 20 0 FIADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000423322788 1096643061 /nfs/dbraw/zinc/64/30/61/1096643061.db2.gz GZVFKPZAJJYLBF-CEZGBXOASA-N 2 1 372.553 4.001 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000423341459 1096650917 /nfs/dbraw/zinc/65/09/17/1096650917.db2.gz UMUUJEXIACWEBD-DLBZAZTESA-N 2 1 351.494 4.191 20 0 FIADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1F ZINC000423368778 1096658400 /nfs/dbraw/zinc/65/84/00/1096658400.db2.gz NMJCXBJYYAQNDD-YJJGSOMYSA-N 2 1 362.386 4.121 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC[NH2+]1 ZINC000423387594 1096663685 /nfs/dbraw/zinc/66/36/85/1096663685.db2.gz SOGBFEJHESTRII-ZXIHIIQKSA-N 2 1 357.723 4.284 20 0 FIADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000423460147 1096689936 /nfs/dbraw/zinc/68/99/36/1096689936.db2.gz IVAYVWNXVYMNOA-CMPLNLGQSA-N 2 1 368.344 4.269 20 0 FIADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cc1F ZINC000423507598 1096701851 /nfs/dbraw/zinc/70/18/51/1096701851.db2.gz JQWZAVXPXVXEIP-BLLLJJGKSA-N 2 1 366.278 4.114 20 0 FIADMP Cc1ncsc1C[N@@H+](CCCc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000436058809 1098685498 /nfs/dbraw/zinc/68/54/98/1098685498.db2.gz ZPUZTAIOIJWUCQ-QGZVFWFLSA-N 2 1 363.958 4.149 20 0 FIADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533075802 1098741862 /nfs/dbraw/zinc/74/18/62/1098741862.db2.gz PMTGKRHOBWOHTA-YJBOKZPZSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533075802 1098741871 /nfs/dbraw/zinc/74/18/71/1098741871.db2.gz PMTGKRHOBWOHTA-YJBOKZPZSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075802 1098741877 /nfs/dbraw/zinc/74/18/77/1098741877.db2.gz PMTGKRHOBWOHTA-YJBOKZPZSA-N 2 1 354.416 4.034 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)CCCC2)CC1 ZINC000436252264 1098866238 /nfs/dbraw/zinc/86/62/38/1098866238.db2.gz LCQACTFBICXWCV-SFTDATJTSA-N 2 1 356.554 4.336 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296604 1098909810 /nfs/dbraw/zinc/90/98/10/1098909810.db2.gz VFUZGRDKELLIDE-FXAWDEMLSA-N 2 1 360.542 4.022 20 0 FIADMP CC[NH+](CC)Cc1ccccc1Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001211994322 1099158438 /nfs/dbraw/zinc/15/84/38/1099158438.db2.gz SVOYEBDOUPTKRE-UHFFFAOYSA-N 2 1 366.553 4.019 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cn2c1 ZINC000516098788 1099190791 /nfs/dbraw/zinc/19/07/91/1099190791.db2.gz YSWDSSKWIDKLLF-SFHVURJKSA-N 2 1 362.521 4.164 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cn2c1 ZINC000516098788 1099190795 /nfs/dbraw/zinc/19/07/95/1099190795.db2.gz YSWDSSKWIDKLLF-SFHVURJKSA-N 2 1 362.521 4.164 20 0 FIADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1C(F)(F)F ZINC001167961198 1099324073 /nfs/dbraw/zinc/32/40/73/1099324073.db2.gz GBWSBHIZGNRGEB-MQVJKMGUSA-N 2 1 356.407 4.340 20 0 FIADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1C(F)(F)F ZINC001167961198 1099324080 /nfs/dbraw/zinc/32/40/80/1099324080.db2.gz GBWSBHIZGNRGEB-MQVJKMGUSA-N 2 1 356.407 4.340 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cc(F)ccc43)CC2)cs1 ZINC000161765947 1099535058 /nfs/dbraw/zinc/53/50/58/1099535058.db2.gz VFDVANYHMYEPAI-FQEVSTJZSA-N 2 1 373.541 4.334 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098449 1099599766 /nfs/dbraw/zinc/59/97/66/1099599766.db2.gz SAQKVCYNIGHMTD-ORYQWCPZSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098449 1099599776 /nfs/dbraw/zinc/59/97/76/1099599776.db2.gz SAQKVCYNIGHMTD-ORYQWCPZSA-N 2 1 354.469 4.150 20 0 FIADMP COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)CCO2 ZINC000261678640 1099637382 /nfs/dbraw/zinc/63/73/82/1099637382.db2.gz IDQBNMCQRXEYNV-QFIPXVFZSA-N 2 1 366.505 4.021 20 0 FIADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cc(F)ccc1F ZINC000162251187 1099657064 /nfs/dbraw/zinc/65/70/64/1099657064.db2.gz MJYFGQCIGPRNCC-IBGZPJMESA-N 2 1 360.452 4.081 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc4c(s3)CCCC4)CC2)nc(C)[nH+]1 ZINC000162258541 1099665506 /nfs/dbraw/zinc/66/55/06/1099665506.db2.gz BACUPSMMUGKQFB-HNNXBMFYSA-N 2 1 370.566 4.353 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508698585 1099830737 /nfs/dbraw/zinc/83/07/37/1099830737.db2.gz PFBMYGOQBZXOLX-QUCCMNQESA-N 2 1 357.567 4.274 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508697993 1099831816 /nfs/dbraw/zinc/83/18/16/1099831816.db2.gz KPYCSKMQAGRMIZ-FUDKSRODSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508697993 1099831825 /nfs/dbraw/zinc/83/18/25/1099831825.db2.gz KPYCSKMQAGRMIZ-FUDKSRODSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508697993 1099831836 /nfs/dbraw/zinc/83/18/36/1099831836.db2.gz KPYCSKMQAGRMIZ-FUDKSRODSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508697993 1099831842 /nfs/dbraw/zinc/83/18/42/1099831842.db2.gz KPYCSKMQAGRMIZ-FUDKSRODSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508697993 1099831850 /nfs/dbraw/zinc/83/18/50/1099831850.db2.gz KPYCSKMQAGRMIZ-FUDKSRODSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703638 1099856636 /nfs/dbraw/zinc/85/66/36/1099856636.db2.gz ZEWFWECILGOBCE-MIZPHKNDSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508702249 1099857059 /nfs/dbraw/zinc/85/70/59/1099857059.db2.gz VZBCVXKACOATEQ-JTOYRKQZSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702249 1099857072 /nfs/dbraw/zinc/85/70/72/1099857072.db2.gz VZBCVXKACOATEQ-JTOYRKQZSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702249 1099857090 /nfs/dbraw/zinc/85/70/90/1099857090.db2.gz VZBCVXKACOATEQ-JTOYRKQZSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702249 1099857105 /nfs/dbraw/zinc/85/71/05/1099857105.db2.gz VZBCVXKACOATEQ-JTOYRKQZSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702249 1099857118 /nfs/dbraw/zinc/85/71/18/1099857118.db2.gz VZBCVXKACOATEQ-JTOYRKQZSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710629 1099894967 /nfs/dbraw/zinc/89/49/67/1099894967.db2.gz NAZDZNSHSMPOJW-UYAOXDASSA-N 2 1 352.497 4.358 20 0 FIADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711709 1099902858 /nfs/dbraw/zinc/90/28/58/1099902858.db2.gz OZVDSXUEROQNBC-SXWKCWPCSA-N 2 1 366.549 4.374 20 0 FIADMP COc1cc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000508717881 1099908328 /nfs/dbraw/zinc/90/83/28/1099908328.db2.gz MQRAWUKTVMYHBN-DENIHFKCSA-N 2 1 352.522 4.046 20 0 FIADMP C[C@H](NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716217 1099913207 /nfs/dbraw/zinc/91/32/07/1099913207.db2.gz KIZRRCNBGQWJAJ-NZQKXSOJSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716217 1099913210 /nfs/dbraw/zinc/91/32/10/1099913210.db2.gz KIZRRCNBGQWJAJ-NZQKXSOJSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716217 1099913212 /nfs/dbraw/zinc/91/32/12/1099913212.db2.gz KIZRRCNBGQWJAJ-NZQKXSOJSA-N 3 1 369.597 4.141 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652506 1100104836 /nfs/dbraw/zinc/10/48/36/1100104836.db2.gz SSUBOEKXVKNWOE-UHFFFAOYSA-N 2 1 374.960 4.386 20 0 FIADMP Cc1ccc(NC(=O)C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCCC2)cc1C ZINC000459418169 1100144771 /nfs/dbraw/zinc/14/47/71/1100144771.db2.gz FQKYGSRTSKOZJO-UHFFFAOYSA-N 2 1 369.553 4.019 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000536672703 1100160298 /nfs/dbraw/zinc/16/02/98/1100160298.db2.gz GWPALXHDMZOSFS-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000536672703 1100160306 /nfs/dbraw/zinc/16/03/06/1100160306.db2.gz GWPALXHDMZOSFS-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000536672703 1100160310 /nfs/dbraw/zinc/16/03/10/1100160310.db2.gz GWPALXHDMZOSFS-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000536672703 1100160314 /nfs/dbraw/zinc/16/03/14/1100160314.db2.gz GWPALXHDMZOSFS-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP CC[N@@H+](Cc1cccs1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000536674289 1100161074 /nfs/dbraw/zinc/16/10/74/1100161074.db2.gz WQAGCDLOWKCTMC-UHFFFAOYSA-N 2 1 358.555 4.461 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]1Sc1ccccc1 ZINC000459439946 1100176083 /nfs/dbraw/zinc/17/60/83/1100176083.db2.gz NHGOUVLASAZCAJ-BHDDXSALSA-N 2 1 374.594 4.321 20 0 FIADMP C[N@H+](Cc1cc(Cl)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459460735 1100205305 /nfs/dbraw/zinc/20/53/05/1100205305.db2.gz JIIVOQPUCBPHCQ-XYPWUTKMSA-N 2 1 357.723 4.160 20 0 FIADMP C[N@@H+](Cc1cc(Cl)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459460735 1100205309 /nfs/dbraw/zinc/20/53/09/1100205309.db2.gz JIIVOQPUCBPHCQ-XYPWUTKMSA-N 2 1 357.723 4.160 20 0 FIADMP C[NH+](Cc1cc(Cl)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459460735 1100205312 /nfs/dbraw/zinc/20/53/12/1100205312.db2.gz JIIVOQPUCBPHCQ-XYPWUTKMSA-N 2 1 357.723 4.160 20 0 FIADMP C[NH+](Cc1cc(Cl)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459460735 1100205318 /nfs/dbraw/zinc/20/53/18/1100205318.db2.gz JIIVOQPUCBPHCQ-XYPWUTKMSA-N 2 1 357.723 4.160 20 0 FIADMP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(Cl)c1O ZINC000459462306 1100206533 /nfs/dbraw/zinc/20/65/33/1100206533.db2.gz KUFXOCMCFVMZIA-HOCLYGCPSA-N 2 1 366.933 4.187 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000379620787 1100223054 /nfs/dbraw/zinc/22/30/54/1100223054.db2.gz DNQYPVCLXRWIEX-RXVVDRJESA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000379620787 1100223061 /nfs/dbraw/zinc/22/30/61/1100223061.db2.gz DNQYPVCLXRWIEX-RXVVDRJESA-N 2 1 368.521 4.237 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655257 1100281779 /nfs/dbraw/zinc/28/17/79/1100281779.db2.gz LBOQJVOQOMLZOR-ZWOKBUDYSA-N 2 1 352.478 4.119 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655257 1100281786 /nfs/dbraw/zinc/28/17/86/1100281786.db2.gz LBOQJVOQOMLZOR-ZWOKBUDYSA-N 2 1 352.478 4.119 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc([S@](C)=O)cc1 ZINC000536824711 1100339916 /nfs/dbraw/zinc/33/99/16/1100339916.db2.gz DMHIWWIVNWJHHZ-XKMVCHPUSA-N 2 1 362.583 4.118 20 0 FIADMP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536834236 1100344186 /nfs/dbraw/zinc/34/41/86/1100344186.db2.gz UGFTZGCBFVHAQB-MBSDFSHPSA-N 2 1 368.521 4.025 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536834213 1100344712 /nfs/dbraw/zinc/34/47/12/1100344712.db2.gz UGFTZGCBFVHAQB-FDDCHVKYSA-N 2 1 368.521 4.025 20 0 FIADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982456 1100347577 /nfs/dbraw/zinc/34/75/77/1100347577.db2.gz ZGCPFGOYZLHZQO-ZWCUEREDSA-N 2 1 372.532 4.068 20 0 FIADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000536832186 1100369191 /nfs/dbraw/zinc/36/91/91/1100369191.db2.gz JGGQCENSMBVFIJ-SFTDATJTSA-N 2 1 362.533 4.016 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000536859035 1100374994 /nfs/dbraw/zinc/37/49/94/1100374994.db2.gz RKPVRMUTVRQKAA-WIYYLYMNSA-N 2 1 368.521 4.094 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000536859035 1100375003 /nfs/dbraw/zinc/37/50/03/1100375003.db2.gz RKPVRMUTVRQKAA-WIYYLYMNSA-N 2 1 368.521 4.094 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000536876107 1100398096 /nfs/dbraw/zinc/39/80/96/1100398096.db2.gz LGUGFNDEQPRUMF-AUSIDOKSSA-N 2 1 352.522 4.128 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000536875013 1100398327 /nfs/dbraw/zinc/39/83/27/1100398327.db2.gz GPVBCVYDKCMWIM-QAPCUYQASA-N 2 1 373.368 4.263 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000425951559 1100446059 /nfs/dbraw/zinc/44/60/59/1100446059.db2.gz QCXJNKYFOYGXPS-ACRUOGEOSA-N 2 1 355.913 4.235 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000517537484 1100473736 /nfs/dbraw/zinc/47/37/36/1100473736.db2.gz UFDUAFUOTHVDJW-IBGZPJMESA-N 2 1 362.517 4.484 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000517547064 1100489447 /nfs/dbraw/zinc/48/94/47/1100489447.db2.gz FJVKQNOFHHSYPB-FQEVSTJZSA-N 2 1 362.521 4.236 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)oc2c1 ZINC000426044809 1100721143 /nfs/dbraw/zinc/72/11/43/1100721143.db2.gz ANCPXUSLGJPDPL-PWIZWCRZSA-N 2 1 356.510 4.160 20 0 FIADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000414943866 1100871212 /nfs/dbraw/zinc/87/12/12/1100871212.db2.gz FVMBVWSLGGSRDH-KXBFYZLASA-N 2 1 374.912 4.158 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000518274088 1101056932 /nfs/dbraw/zinc/05/69/32/1101056932.db2.gz ITPCAIJPLCYLON-NRFANRHFSA-N 2 1 352.522 4.476 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000518274088 1101056940 /nfs/dbraw/zinc/05/69/40/1101056940.db2.gz ITPCAIJPLCYLON-NRFANRHFSA-N 2 1 352.522 4.476 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474824 1101110770 /nfs/dbraw/zinc/11/07/70/1101110770.db2.gz PXTYZQOUHOMEBV-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474824 1101110777 /nfs/dbraw/zinc/11/07/77/1101110777.db2.gz PXTYZQOUHOMEBV-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474824 1101110779 /nfs/dbraw/zinc/11/07/79/1101110779.db2.gz PXTYZQOUHOMEBV-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474824 1101110784 /nfs/dbraw/zinc/11/07/84/1101110784.db2.gz PXTYZQOUHOMEBV-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426299247 1101226695 /nfs/dbraw/zinc/22/66/95/1101226695.db2.gz UDQCEXYBTLGVPF-QHAWAJNXSA-N 2 1 367.537 4.326 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426299247 1101226704 /nfs/dbraw/zinc/22/67/04/1101226704.db2.gz UDQCEXYBTLGVPF-QHAWAJNXSA-N 2 1 367.537 4.326 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H]1OCCc2sccc21 ZINC000426304228 1101237317 /nfs/dbraw/zinc/23/73/17/1101237317.db2.gz BWNFOHQAKVCXDV-RDBAUFEQSA-N 2 1 362.583 4.383 20 0 FIADMP CC(C)c1nnc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000426304585 1101237386 /nfs/dbraw/zinc/23/73/86/1101237386.db2.gz DFFUNPHCFJYNOG-UHFFFAOYSA-N 2 1 372.582 4.237 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640504 1101370995 /nfs/dbraw/zinc/37/09/95/1101370995.db2.gz LGWJDMCQCLQUOY-AVRDEDQJSA-N 2 1 365.521 4.160 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640504 1101371003 /nfs/dbraw/zinc/37/10/03/1101371003.db2.gz LGWJDMCQCLQUOY-AVRDEDQJSA-N 2 1 365.521 4.160 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3ccc(Cl)cc3)CCCC2)CC1 ZINC000536999081 1101386124 /nfs/dbraw/zinc/38/61/24/1101386124.db2.gz XISRQJSHCJBWNQ-KRWDZBQOSA-N 2 1 364.961 4.284 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000537014668 1101396459 /nfs/dbraw/zinc/39/64/59/1101396459.db2.gz WJARBFWHJIKNLO-OXQOHEQNSA-N 2 1 359.514 4.188 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3cccc(-c4ccncc4)c3)C2)cc1 ZINC000439476548 1101476980 /nfs/dbraw/zinc/47/69/80/1101476980.db2.gz QWOPOOSIHVGWAL-QHCPKHFHSA-N 2 1 371.528 4.403 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000518750249 1101502303 /nfs/dbraw/zinc/50/23/03/1101502303.db2.gz LLVMNOCMQQRPLM-GOSISDBHSA-N 2 1 352.526 4.097 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)cc1 ZINC000537160771 1101506430 /nfs/dbraw/zinc/50/64/30/1101506430.db2.gz HTRJFJWTVGQSEY-CQSZACIVSA-N 2 1 368.868 4.123 20 0 FIADMP CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)CC1CC[NH2+]CC1 ZINC000178956001 1101540635 /nfs/dbraw/zinc/54/06/35/1101540635.db2.gz GTWNEOCJTXMUPG-UHFFFAOYSA-N 2 1 374.550 4.157 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203396 1101557697 /nfs/dbraw/zinc/55/76/97/1101557697.db2.gz ZTXDACVAZIXEOF-SFHVURJKSA-N 2 1 361.961 4.104 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000537290021 1101608007 /nfs/dbraw/zinc/60/80/07/1101608007.db2.gz ZYHNAPXZQGMURR-AWEZNQCLSA-N 2 1 365.880 4.065 20 0 FIADMP CC(C)(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000537292252 1101611711 /nfs/dbraw/zinc/61/17/11/1101611711.db2.gz HGFGVTLLGMFWAI-UXHICEINSA-N 2 1 350.522 4.130 20 0 FIADMP CC(C)(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000537292256 1101613167 /nfs/dbraw/zinc/61/31/67/1101613167.db2.gz HGFGVTLLGMFWAI-WOJBJXKFSA-N 2 1 350.522 4.130 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168167701 1101818917 /nfs/dbraw/zinc/81/89/17/1101818917.db2.gz NWHCFFDKQSOTAW-SNRMKQJTSA-N 2 1 350.934 4.022 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000398112650 1101967080 /nfs/dbraw/zinc/96/70/80/1101967080.db2.gz DPJCSKUMTCUBIW-FCEUIQTBSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000398112650 1101967084 /nfs/dbraw/zinc/96/70/84/1101967084.db2.gz DPJCSKUMTCUBIW-FCEUIQTBSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399552 1102170779 /nfs/dbraw/zinc/17/07/79/1102170779.db2.gz UAHHTPJNUBAYOQ-NQIIRXRSSA-N 2 1 350.506 4.110 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399552 1102170785 /nfs/dbraw/zinc/17/07/85/1102170785.db2.gz UAHHTPJNUBAYOQ-NQIIRXRSSA-N 2 1 350.506 4.110 20 0 FIADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441726 1102330346 /nfs/dbraw/zinc/33/03/46/1102330346.db2.gz FHAKPWRZKLRPMI-HJNYFJLDSA-N 2 1 367.537 4.059 20 0 FIADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000532448876 1102335586 /nfs/dbraw/zinc/33/55/86/1102335586.db2.gz SDMJSHNLZSQSRR-XMMPIXPASA-N 2 1 363.549 4.065 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000532447320 1102339805 /nfs/dbraw/zinc/33/98/05/1102339805.db2.gz BFAQJRJXEYZZSD-GOSISDBHSA-N 2 1 371.956 4.328 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000532450097 1102348064 /nfs/dbraw/zinc/34/80/64/1102348064.db2.gz VVRUNHUVPZFCCB-IBGZPJMESA-N 2 1 367.940 4.078 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(CO)c1 ZINC000121238905 1102354771 /nfs/dbraw/zinc/35/47/71/1102354771.db2.gz HQXBFIHIFAUJTK-MOPGFXCFSA-N 2 1 352.522 4.404 20 0 FIADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000110911118 1102426264 /nfs/dbraw/zinc/42/62/64/1102426264.db2.gz YAQXKSZQAXCZEY-UHFFFAOYSA-N 2 1 356.485 4.178 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)c(F)c2)[C@H](C)C1 ZINC000122268149 1102553319 /nfs/dbraw/zinc/55/33/19/1102553319.db2.gz HBUJSOUOFGADAX-GJYPPUQNSA-N 2 1 368.562 4.335 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000303813723 1102554618 /nfs/dbraw/zinc/55/46/18/1102554618.db2.gz ZNNOURJCXLQRBN-WIYYLYMNSA-N 2 1 367.537 4.192 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000303813723 1102554626 /nfs/dbraw/zinc/55/46/26/1102554626.db2.gz ZNNOURJCXLQRBN-WIYYLYMNSA-N 2 1 367.537 4.192 20 0 FIADMP COc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812578 1102554886 /nfs/dbraw/zinc/55/48/86/1102554886.db2.gz ZGFAVBGMNHXNDG-DENIHFKCSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812578 1102554891 /nfs/dbraw/zinc/55/48/91/1102554891.db2.gz ZGFAVBGMNHXNDG-DENIHFKCSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812578 1102554896 /nfs/dbraw/zinc/55/48/96/1102554896.db2.gz ZGFAVBGMNHXNDG-DENIHFKCSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812578 1102554903 /nfs/dbraw/zinc/55/49/03/1102554903.db2.gz ZGFAVBGMNHXNDG-DENIHFKCSA-N 2 1 352.522 4.223 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000122328485 1102557881 /nfs/dbraw/zinc/55/78/81/1102557881.db2.gz DGULPJOWVQFVNU-GJYPPUQNSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000122328485 1102557894 /nfs/dbraw/zinc/55/78/94/1102557894.db2.gz DGULPJOWVQFVNU-GJYPPUQNSA-N 2 1 368.949 4.136 20 0 FIADMP CCc1cc2c(cc1CC)CC([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167974825 1102567956 /nfs/dbraw/zinc/56/79/56/1102567956.db2.gz ASHQIXWQEBZFGG-CWAQXLGLSA-N 2 1 352.566 4.274 20 0 FIADMP Cc1nnc([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835592 1102648497 /nfs/dbraw/zinc/64/84/97/1102648497.db2.gz DIIMKLCQIXXSLW-OXQOHEQNSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1nnc([C@@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835592 1102648502 /nfs/dbraw/zinc/64/85/02/1102648502.db2.gz DIIMKLCQIXXSLW-OXQOHEQNSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1cnc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835453 1102651280 /nfs/dbraw/zinc/65/12/80/1102651280.db2.gz BYZGSEPRTVSMEA-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1cnc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835453 1102651286 /nfs/dbraw/zinc/65/12/86/1102651286.db2.gz BYZGSEPRTVSMEA-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252151 1102651815 /nfs/dbraw/zinc/65/18/15/1102651815.db2.gz NIOYDKDECIFXHO-FYYLOGMGSA-N 2 1 364.533 4.053 20 0 FIADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252151 1102651824 /nfs/dbraw/zinc/65/18/24/1102651824.db2.gz NIOYDKDECIFXHO-FYYLOGMGSA-N 2 1 364.533 4.053 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168253281 1102655255 /nfs/dbraw/zinc/65/52/55/1102655255.db2.gz WVZZLIYPQJHKNO-FKBYEOEOSA-N 2 1 356.554 4.315 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000550885009 1102656970 /nfs/dbraw/zinc/65/69/70/1102656970.db2.gz AYYAALWJYQFOAH-DDRJZQQSSA-N 2 1 357.586 4.140 20 0 FIADMP CC(C)[NH+]1CCC[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000550885009 1102656977 /nfs/dbraw/zinc/65/69/77/1102656977.db2.gz AYYAALWJYQFOAH-DDRJZQQSSA-N 2 1 357.586 4.140 20 0 FIADMP CC(C)[NH+]1CCC[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000550885009 1102656981 /nfs/dbraw/zinc/65/69/81/1102656981.db2.gz AYYAALWJYQFOAH-DDRJZQQSSA-N 3 1 357.586 4.140 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001168252605 1102660096 /nfs/dbraw/zinc/66/00/96/1102660096.db2.gz PMPSHFJTZNVPLJ-NRFANRHFSA-N 2 1 364.961 4.398 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551007865 1102758659 /nfs/dbraw/zinc/75/86/59/1102758659.db2.gz SDUIRPOQLQZBRG-SFTDATJTSA-N 2 1 368.521 4.062 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551007865 1102758668 /nfs/dbraw/zinc/75/86/68/1102758668.db2.gz SDUIRPOQLQZBRG-SFTDATJTSA-N 2 1 368.521 4.062 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551007861 1102758698 /nfs/dbraw/zinc/75/86/98/1102758698.db2.gz SDUIRPOQLQZBRG-NHCUHLMSSA-N 2 1 368.521 4.062 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551007861 1102758710 /nfs/dbraw/zinc/75/87/10/1102758710.db2.gz SDUIRPOQLQZBRG-NHCUHLMSSA-N 2 1 368.521 4.062 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000123094668 1102769546 /nfs/dbraw/zinc/76/95/46/1102769546.db2.gz VQGOTDNILCJRTC-IBGZPJMESA-N 2 1 374.960 4.023 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000123094668 1102769561 /nfs/dbraw/zinc/76/95/61/1102769561.db2.gz VQGOTDNILCJRTC-IBGZPJMESA-N 2 1 374.960 4.023 20 0 FIADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187911226 1102779407 /nfs/dbraw/zinc/77/94/07/1102779407.db2.gz TWULWQJTIDCKCS-RTWAWAEBSA-N 2 1 358.551 4.336 20 0 FIADMP CN1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@@H]1c1ccccc1 ZINC000551051005 1102864259 /nfs/dbraw/zinc/86/42/59/1102864259.db2.gz MFANXCOBLBXERG-FGZHOGPDSA-N 2 1 350.506 4.401 20 0 FIADMP c1cc(-c2ncc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000537694688 1102887301 /nfs/dbraw/zinc/88/73/01/1102887301.db2.gz NSLNPGJTGPUXHH-KSSFIOAISA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000537694688 1102887314 /nfs/dbraw/zinc/88/73/14/1102887314.db2.gz NSLNPGJTGPUXHH-KSSFIOAISA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cs1 ZINC000537694688 1102887323 /nfs/dbraw/zinc/88/73/23/1102887323.db2.gz NSLNPGJTGPUXHH-KSSFIOAISA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)cs1 ZINC000537694688 1102887332 /nfs/dbraw/zinc/88/73/32/1102887332.db2.gz NSLNPGJTGPUXHH-KSSFIOAISA-N 2 1 359.564 4.320 20 0 FIADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269990 1102895168 /nfs/dbraw/zinc/89/51/68/1102895168.db2.gz DSIXPJMPYNOAPN-MZYLBHOOSA-N 2 1 370.581 4.331 20 0 FIADMP c1ccc2oc(C3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)nc2c1 ZINC001167983821 1102913785 /nfs/dbraw/zinc/91/37/85/1102913785.db2.gz IPNUXNSZMANNBT-YOFSQIOKSA-N 2 1 365.521 4.413 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000551174571 1102948623 /nfs/dbraw/zinc/94/86/23/1102948623.db2.gz DNYDGNDSBRXOCU-FCHUYYIVSA-N 2 1 352.522 4.497 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000551174571 1102948629 /nfs/dbraw/zinc/94/86/29/1102948629.db2.gz DNYDGNDSBRXOCU-FCHUYYIVSA-N 2 1 352.522 4.497 20 0 FIADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)CC1 ZINC000551227465 1102984490 /nfs/dbraw/zinc/98/44/90/1102984490.db2.gz OQVWDQLGNANCMX-UHFFFAOYSA-N 2 1 350.915 4.164 20 0 FIADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476988420 1102993871 /nfs/dbraw/zinc/99/38/71/1102993871.db2.gz SDBADQRWVWXIPN-VQTJNVASSA-N 2 1 371.569 4.299 20 0 FIADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476988420 1102993878 /nfs/dbraw/zinc/99/38/78/1102993878.db2.gz SDBADQRWVWXIPN-VQTJNVASSA-N 2 1 371.569 4.299 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@@H]1c1ccccc1 ZINC000551264154 1103020916 /nfs/dbraw/zinc/02/09/16/1103020916.db2.gz IEDSLTPKQNKORE-RTBURBONSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@@H]1c1ccccc1 ZINC000551264154 1103020933 /nfs/dbraw/zinc/02/09/33/1103020933.db2.gz IEDSLTPKQNKORE-RTBURBONSA-N 2 1 363.427 4.068 20 0 FIADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1O ZINC000459380532 1103039805 /nfs/dbraw/zinc/03/98/05/1103039805.db2.gz TUSNBESFMOHDHF-SFHVURJKSA-N 2 1 368.521 4.313 20 0 FIADMP COc1cccc(CN2CCC[C@@H]([N@H+](C)Cc3cccc(OC)c3)CC2)c1 ZINC000532827668 1103244103 /nfs/dbraw/zinc/24/41/03/1103244103.db2.gz PWTUMCGJXCXGJD-OAQYLSRUSA-N 2 1 368.521 4.190 20 0 FIADMP COc1cccc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827668 1103244118 /nfs/dbraw/zinc/24/41/18/1103244118.db2.gz PWTUMCGJXCXGJD-OAQYLSRUSA-N 2 1 368.521 4.190 20 0 FIADMP COc1cccc(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827668 1103244127 /nfs/dbraw/zinc/24/41/27/1103244127.db2.gz PWTUMCGJXCXGJD-OAQYLSRUSA-N 2 1 368.521 4.190 20 0 FIADMP COc1cccc(C[NH+](C)[C@@H]2CCC[N@H+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827668 1103244138 /nfs/dbraw/zinc/24/41/38/1103244138.db2.gz PWTUMCGJXCXGJD-OAQYLSRUSA-N 2 1 368.521 4.190 20 0 FIADMP C[N@H+](Cc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985075 1103275506 /nfs/dbraw/zinc/27/55/06/1103275506.db2.gz UKRXBHMUXMGJEQ-DFNIBXOVSA-N 2 1 363.343 4.286 20 0 FIADMP C[N@@H+](Cc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985075 1103275516 /nfs/dbraw/zinc/27/55/16/1103275516.db2.gz UKRXBHMUXMGJEQ-DFNIBXOVSA-N 2 1 363.343 4.286 20 0 FIADMP C[NH+](Cc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985075 1103275523 /nfs/dbraw/zinc/27/55/23/1103275523.db2.gz UKRXBHMUXMGJEQ-DFNIBXOVSA-N 2 1 363.343 4.286 20 0 FIADMP C[NH+](Cc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985075 1103275525 /nfs/dbraw/zinc/27/55/25/1103275525.db2.gz UKRXBHMUXMGJEQ-DFNIBXOVSA-N 2 1 363.343 4.286 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999460 1103411169 /nfs/dbraw/zinc/41/11/69/1103411169.db2.gz KBIWLHQPVJCHJL-MRXNPFEDSA-N 2 1 367.331 4.002 20 0 FIADMP CC(C)C(C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C ZINC000551805535 1103652924 /nfs/dbraw/zinc/65/29/24/1103652924.db2.gz AQWGKHBXTRKIIJ-UHFFFAOYSA-N 2 1 351.623 4.043 20 0 FIADMP CC(C)C(C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000551805535 1103652926 /nfs/dbraw/zinc/65/29/26/1103652926.db2.gz AQWGKHBXTRKIIJ-UHFFFAOYSA-N 3 1 351.623 4.043 20 0 FIADMP CC(C)C(C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000551805535 1103652931 /nfs/dbraw/zinc/65/29/31/1103652931.db2.gz AQWGKHBXTRKIIJ-UHFFFAOYSA-N 3 1 351.623 4.043 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519816567 1103881584 /nfs/dbraw/zinc/88/15/84/1103881584.db2.gz OSNZGBJQDLKMQI-FPOVZHCZSA-N 2 1 351.538 4.168 20 0 FIADMP Fc1ccccc1OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000538208444 1104050951 /nfs/dbraw/zinc/05/09/51/1104050951.db2.gz OMFSMZGZPWCOHS-JOCHJYFZSA-N 2 1 368.496 4.410 20 0 FIADMP OCCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228530 1104189817 /nfs/dbraw/zinc/18/98/17/1104189817.db2.gz TYTGNEPSIHOGTF-PKTZIBPZSA-N 2 1 364.533 4.287 20 0 FIADMP OCCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228530 1104189821 /nfs/dbraw/zinc/18/98/21/1104189821.db2.gz TYTGNEPSIHOGTF-PKTZIBPZSA-N 2 1 364.533 4.287 20 0 FIADMP CCOc1ccccc1OCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000441386498 1104321679 /nfs/dbraw/zinc/32/16/79/1104321679.db2.gz FGROTJJZRJWSMW-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000441386498 1104321691 /nfs/dbraw/zinc/32/16/91/1104321691.db2.gz FGROTJJZRJWSMW-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000441386498 1104321704 /nfs/dbraw/zinc/32/17/04/1104321704.db2.gz FGROTJJZRJWSMW-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000441386498 1104321714 /nfs/dbraw/zinc/32/17/14/1104321714.db2.gz FGROTJJZRJWSMW-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000441386498 1104321723 /nfs/dbraw/zinc/32/17/23/1104321723.db2.gz FGROTJJZRJWSMW-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP Clc1ccc(SCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397517 1104329204 /nfs/dbraw/zinc/32/92/04/1104329204.db2.gz WSNYSMXVGLJFSA-BEFAXECRSA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397517 1104329215 /nfs/dbraw/zinc/32/92/15/1104329215.db2.gz WSNYSMXVGLJFSA-BEFAXECRSA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397517 1104329227 /nfs/dbraw/zinc/32/92/27/1104329227.db2.gz WSNYSMXVGLJFSA-BEFAXECRSA-N 2 1 350.959 4.381 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000520407838 1104329575 /nfs/dbraw/zinc/32/95/75/1104329575.db2.gz VKEIEBYFOMQXTL-LJQANCHMSA-N 2 1 371.569 4.193 20 0 FIADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000441438404 1104704560 /nfs/dbraw/zinc/70/45/60/1104704560.db2.gz MBHUEFICDALGSI-KRWDZBQOSA-N 2 1 370.459 4.282 20 0 FIADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441492050 1104915805 /nfs/dbraw/zinc/91/58/05/1104915805.db2.gz UHYBIYCJHWZDJN-FQEVSTJZSA-N 2 1 360.542 4.052 20 0 FIADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441492050 1104915807 /nfs/dbraw/zinc/91/58/07/1104915807.db2.gz UHYBIYCJHWZDJN-FQEVSTJZSA-N 2 1 360.542 4.052 20 0 FIADMP CCc1cc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)on1 ZINC001203217819 1104974849 /nfs/dbraw/zinc/97/48/49/1104974849.db2.gz KWQVXAJWBZTNFP-UHFFFAOYSA-N 2 1 367.537 4.424 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781696 1105007126 /nfs/dbraw/zinc/00/71/26/1105007126.db2.gz ZGCNEIQIRGUZQM-AKIFATBCSA-N 2 1 368.496 4.176 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781696 1105007130 /nfs/dbraw/zinc/00/71/30/1105007130.db2.gz ZGCNEIQIRGUZQM-AKIFATBCSA-N 2 1 368.496 4.176 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000520604397 1105036302 /nfs/dbraw/zinc/03/63/02/1105036302.db2.gz RIDNRMLYUZGZIB-QUCCMNQESA-N 2 1 360.505 4.159 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000520604397 1105036309 /nfs/dbraw/zinc/03/63/09/1105036309.db2.gz RIDNRMLYUZGZIB-QUCCMNQESA-N 2 1 360.505 4.159 20 0 FIADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152371145 1105056651 /nfs/dbraw/zinc/05/66/51/1105056651.db2.gz OQORAKVVXMZLFL-UKRRQHHQSA-N 2 1 359.514 4.393 20 0 FIADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152371241 1105056820 /nfs/dbraw/zinc/05/68/20/1105056820.db2.gz OQORAKVVXMZLFL-DZGCQCFKSA-N 2 1 359.514 4.393 20 0 FIADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152396309 1105082748 /nfs/dbraw/zinc/08/27/48/1105082748.db2.gz CIESYYXQQVODRH-HIFRSBDPSA-N 2 1 359.514 4.393 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccc(Br)c1 ZINC000247133762 1105090981 /nfs/dbraw/zinc/09/09/81/1105090981.db2.gz XAEDLBHPNVTFNA-IPELMVKDSA-N 2 1 365.359 4.234 20 0 FIADMP Cc1ccn2c(C[NH2+]C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)cnc2c1 ZINC001168006813 1105119059 /nfs/dbraw/zinc/11/90/59/1105119059.db2.gz PEQBUMIEUKHOMV-OALUTQOASA-N 2 1 362.521 4.174 20 0 FIADMP Cc1ccn2c(CN[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)cnc2c1 ZINC001168006811 1105119157 /nfs/dbraw/zinc/11/91/57/1105119157.db2.gz PEQBUMIEUKHOMV-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP Cc1ccn2c(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)cnc2c1 ZINC001168006811 1105119164 /nfs/dbraw/zinc/11/91/64/1105119164.db2.gz PEQBUMIEUKHOMV-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP COC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008144 1105168775 /nfs/dbraw/zinc/16/87/75/1105168775.db2.gz CWZBBEZYYHKKJQ-OPMZPASUSA-N 2 1 366.505 4.004 20 0 FIADMP COC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008144 1105168777 /nfs/dbraw/zinc/16/87/77/1105168777.db2.gz CWZBBEZYYHKKJQ-OPMZPASUSA-N 2 1 366.505 4.004 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508204646 1105358606 /nfs/dbraw/zinc/35/86/06/1105358606.db2.gz IHDBRZNQAMWRHO-AKHDSKFASA-N 2 1 357.542 4.118 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508204646 1105358615 /nfs/dbraw/zinc/35/86/15/1105358615.db2.gz IHDBRZNQAMWRHO-AKHDSKFASA-N 2 1 357.542 4.118 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508204646 1105358624 /nfs/dbraw/zinc/35/86/24/1105358624.db2.gz IHDBRZNQAMWRHO-AKHDSKFASA-N 2 1 357.542 4.118 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC1CCOCC1 ZINC000390872979 1106776112 /nfs/dbraw/zinc/77/61/12/1106776112.db2.gz QTDIMJPYAHHEIV-JOCHJYFZSA-N 2 1 358.570 4.474 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC1CCOCC1 ZINC000390872979 1106776131 /nfs/dbraw/zinc/77/61/31/1106776131.db2.gz QTDIMJPYAHHEIV-JOCHJYFZSA-N 2 1 358.570 4.474 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000392261386 1106978922 /nfs/dbraw/zinc/97/89/22/1106978922.db2.gz HVHVTOARECDUCS-UHFFFAOYSA-N 2 1 352.322 4.076 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000530460149 1107054396 /nfs/dbraw/zinc/05/43/96/1107054396.db2.gz JGGGJNCLSAJCKX-ROUUACIJSA-N 2 1 351.416 4.297 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC([NH+]2CCCC2)CC1 ZINC000301566583 1107072366 /nfs/dbraw/zinc/07/23/66/1107072366.db2.gz ZGAFFKKRTYUPCO-UHFFFAOYSA-N 2 1 360.299 4.062 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000530513262 1107107179 /nfs/dbraw/zinc/10/71/79/1107107179.db2.gz YEQFOOCNLUEUKN-JOCHJYFZSA-N 2 1 360.436 4.029 20 0 FIADMP Cc1cc(N2CCC(Nc3c(C)c(C)[nH+]c4ccccc43)CC2)nc(C)[nH+]1 ZINC000302058779 1107281289 /nfs/dbraw/zinc/28/12/89/1107281289.db2.gz BNNADOJUBOYPJZ-UHFFFAOYSA-N 2 1 361.493 4.339 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144700 1107592728 /nfs/dbraw/zinc/59/27/28/1107592728.db2.gz RLYHZFNGTXAJNL-HXUWFJFHSA-N 2 1 374.532 4.313 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144700 1107592742 /nfs/dbraw/zinc/59/27/42/1107592742.db2.gz RLYHZFNGTXAJNL-HXUWFJFHSA-N 2 1 374.532 4.313 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144700 1107592765 /nfs/dbraw/zinc/59/27/65/1107592765.db2.gz RLYHZFNGTXAJNL-HXUWFJFHSA-N 2 1 374.532 4.313 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144700 1107592777 /nfs/dbraw/zinc/59/27/77/1107592777.db2.gz RLYHZFNGTXAJNL-HXUWFJFHSA-N 2 1 374.532 4.313 20 0 FIADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(C)c1OCc1ccccn1 ZINC000067507190 1107594147 /nfs/dbraw/zinc/59/41/47/1107594147.db2.gz VYPFVBUWWPYDCD-HXUWFJFHSA-N 2 1 367.537 4.097 20 0 FIADMP c1nc2ccccc2n1-c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475558549 1107730818 /nfs/dbraw/zinc/73/08/18/1107730818.db2.gz GJAXLXORNSGJEA-UHFFFAOYSA-N 2 1 360.505 4.132 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000531684674 1108073328 /nfs/dbraw/zinc/07/33/28/1108073328.db2.gz HLQCWDBTBOIQCM-AOMKIAJQSA-N 2 1 366.484 4.273 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000531684675 1108074663 /nfs/dbraw/zinc/07/46/63/1108074663.db2.gz HLQCWDBTBOIQCM-KSFYIVLOSA-N 2 1 366.484 4.273 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000444679794 1108080972 /nfs/dbraw/zinc/08/09/72/1108080972.db2.gz CIZSLLITWHMVTK-SFHVURJKSA-N 2 1 369.578 4.015 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cc1 ZINC000531706165 1108086741 /nfs/dbraw/zinc/08/67/41/1108086741.db2.gz CPCCWHOVUWENLY-GOSISDBHSA-N 2 1 371.488 4.260 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692699 1108097553 /nfs/dbraw/zinc/09/75/53/1108097553.db2.gz VUNSVBBOLJTPGQ-LLBVYWAGSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692699 1108097567 /nfs/dbraw/zinc/09/75/67/1108097567.db2.gz VUNSVBBOLJTPGQ-LLBVYWAGSA-N 2 1 368.521 4.060 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCc3cccc(F)c3)CCCC2)CC1 ZINC000531720040 1108111772 /nfs/dbraw/zinc/11/17/72/1108111772.db2.gz FSQVRGWWMWWYQJ-SFHVURJKSA-N 2 1 362.533 4.160 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054946 1108131147 /nfs/dbraw/zinc/13/11/47/1108131147.db2.gz CYFVFIVZJYFFJE-RTBURBONSA-N 2 1 354.542 4.250 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H](C)c4ccsc43)CC2)nc(C)[nH+]1 ZINC000453122982 1108189903 /nfs/dbraw/zinc/18/99/03/1108189903.db2.gz FKXXZWJPTXDFBM-UGSOOPFHSA-N 2 1 356.539 4.352 20 0 FIADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213574 1108282175 /nfs/dbraw/zinc/28/21/75/1108282175.db2.gz APFMPANFOGJRHN-PKTZIBPZSA-N 2 1 370.581 4.474 20 0 FIADMP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000453217060 1108289471 /nfs/dbraw/zinc/28/94/71/1108289471.db2.gz DZWXCIJVDNLFMO-LJQANCHMSA-N 2 1 360.933 4.019 20 0 FIADMP CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289288 1108365266 /nfs/dbraw/zinc/36/52/66/1108365266.db2.gz LXRNINSGGLVCAE-KIHHCIJBSA-N 2 1 364.533 4.029 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000453386201 1108471255 /nfs/dbraw/zinc/47/12/55/1108471255.db2.gz AHAPFNIWLAKDGN-QGZVFWFLSA-N 2 1 355.295 4.040 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4c3cccc4Cl)CC2)oc1C ZINC000531969931 1108476985 /nfs/dbraw/zinc/47/69/85/1108476985.db2.gz XDZFDJQKJIFXHT-HXUWFJFHSA-N 2 1 373.928 4.434 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000531979221 1108496383 /nfs/dbraw/zinc/49/63/83/1108496383.db2.gz ZBQHZYLMKRBCMN-GARXJVFOSA-N 2 1 358.448 4.181 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cc1 ZINC000531982891 1108497986 /nfs/dbraw/zinc/49/79/86/1108497986.db2.gz AZGHZESPCGIERX-CVEARBPZSA-N 2 1 353.441 4.438 20 0 FIADMP COc1ccc([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(F)cc2)cc1 ZINC000453402787 1108504205 /nfs/dbraw/zinc/50/42/05/1108504205.db2.gz NXDNXXLOVFYHHG-JOCHJYFZSA-N 2 1 356.485 4.388 20 0 FIADMP c1ccc(C[NH+]2CCC([C@H]3CCCCC[N@H+]3Cc3cncnc3)CC2)cc1 ZINC000453601148 1108651541 /nfs/dbraw/zinc/65/15/41/1108651541.db2.gz SMBYZQKBDSETLO-HSZRJFAPSA-N 2 1 364.537 4.133 20 0 FIADMP Cn1ccnc1C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453603721 1108653028 /nfs/dbraw/zinc/65/30/28/1108653028.db2.gz YMTBYLXICHQJKV-QFIPXVFZSA-N 2 1 366.553 4.077 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000532215690 1108715421 /nfs/dbraw/zinc/71/54/21/1108715421.db2.gz VUWIIHRBJWZARK-SJCJKPOMSA-N 2 1 369.372 4.306 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225244 1108722448 /nfs/dbraw/zinc/72/24/48/1108722448.db2.gz FNIJCKKMCYYFQK-HKUYNNGSSA-N 2 1 356.485 4.397 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156039 1108870669 /nfs/dbraw/zinc/87/06/69/1108870669.db2.gz CUUBENWEGKHFDH-UHFFFAOYSA-N 2 1 359.558 4.109 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156039 1108870673 /nfs/dbraw/zinc/87/06/73/1108870673.db2.gz CUUBENWEGKHFDH-UHFFFAOYSA-N 2 1 359.558 4.109 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000524750887 1109137481 /nfs/dbraw/zinc/13/74/81/1109137481.db2.gz DVTPMUZUUMXOTN-UGKGYDQZSA-N 2 1 357.586 4.145 20 0 FIADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000524753183 1109138337 /nfs/dbraw/zinc/13/83/37/1109138337.db2.gz ZQQGRKUAHJOGBV-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000524753183 1109138339 /nfs/dbraw/zinc/13/83/39/1109138339.db2.gz ZQQGRKUAHJOGBV-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000524753183 1109138341 /nfs/dbraw/zinc/13/83/41/1109138341.db2.gz ZQQGRKUAHJOGBV-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC000446837215 1109356518 /nfs/dbraw/zinc/35/65/18/1109356518.db2.gz VRILNJKMSYFMDV-QFIPXVFZSA-N 2 1 356.510 4.206 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000447530336 1109564139 /nfs/dbraw/zinc/56/41/39/1109564139.db2.gz MHGYUXGYHMIVPR-DLBZAZTESA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000447530336 1109564143 /nfs/dbraw/zinc/56/41/43/1109564143.db2.gz MHGYUXGYHMIVPR-DLBZAZTESA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000447532981 1109568930 /nfs/dbraw/zinc/56/89/30/1109568930.db2.gz WEELYXBKZVNACW-IAGOWNOFSA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000447532981 1109568934 /nfs/dbraw/zinc/56/89/34/1109568934.db2.gz WEELYXBKZVNACW-IAGOWNOFSA-N 2 1 370.493 4.291 20 0 FIADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447608318 1109601595 /nfs/dbraw/zinc/60/15/95/1109601595.db2.gz VCHTZRKNOSJPNO-XBYSBRQOSA-N 2 1 355.570 4.036 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000447609737 1109601914 /nfs/dbraw/zinc/60/19/14/1109601914.db2.gz YYLYZDCQRNIAQI-FGCOXFRFSA-N 2 1 364.533 4.227 20 0 FIADMP Cc1cccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)c1 ZINC000527889060 1109850743 /nfs/dbraw/zinc/85/07/43/1109850743.db2.gz XYYBNONKNGXQDI-DHIUTWEWSA-N 2 1 352.522 4.049 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028945 1109959421 /nfs/dbraw/zinc/95/94/21/1109959421.db2.gz NHULIUGHTDNGAC-PXNSSMCTSA-N 2 1 357.567 4.090 20 0 FIADMP Clc1ccc([C@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000449130722 1109981698 /nfs/dbraw/zinc/98/16/98/1109981698.db2.gz HNZPTBYFXAIXJV-ICSRJNTNSA-N 2 1 362.945 4.211 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000449173335 1109988544 /nfs/dbraw/zinc/98/85/44/1109988544.db2.gz FPBLHMQODFXKHO-PGRDOPGGSA-N 2 1 368.569 4.193 20 0 FIADMP Cc1ccsc1[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449176098 1109989097 /nfs/dbraw/zinc/98/90/97/1109989097.db2.gz RYFJNTCCDJLHHI-KRWDZBQOSA-N 2 1 352.588 4.359 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@H]1c1cccs1 ZINC000449160276 1109989651 /nfs/dbraw/zinc/98/96/51/1109989651.db2.gz LDMLHIQGHHLLNI-UZLBHIALSA-N 2 1 358.555 4.232 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@H]1c1cccs1 ZINC000449160276 1109989653 /nfs/dbraw/zinc/98/96/53/1109989653.db2.gz LDMLHIQGHHLLNI-UZLBHIALSA-N 2 1 358.555 4.232 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2C(F)(F)F)cc1 ZINC000528441744 1109994325 /nfs/dbraw/zinc/99/43/25/1109994325.db2.gz YMFLJCBLIRTDRK-ZDUSSCGKSA-N 2 1 360.383 4.445 20 0 FIADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000449437462 1110078582 /nfs/dbraw/zinc/07/85/82/1110078582.db2.gz LOTKELWSWHLZPD-WMLDXEAASA-N 2 1 355.448 4.233 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000449478396 1110085228 /nfs/dbraw/zinc/08/52/28/1110085228.db2.gz KCKOWOICXAGURL-ACESQOTJSA-N 2 1 368.565 4.226 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449618769 1110126843 /nfs/dbraw/zinc/12/68/43/1110126843.db2.gz ZVYXRXYBDDTLRC-IFMALSPDSA-N 2 1 367.537 4.050 20 0 FIADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+]([C@@H]4CCO[C@H](C)C4)CC3)C2)cc1 ZINC001168114892 1110239065 /nfs/dbraw/zinc/23/90/65/1110239065.db2.gz FLAZJRONNWRNIU-IFMALSPDSA-N 2 1 356.554 4.241 20 0 FIADMP Clc1ccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1Cl ZINC001168116341 1110266126 /nfs/dbraw/zinc/26/61/26/1110266126.db2.gz UYYSBYNQNDWYLF-INIZCTEOSA-N 2 1 357.325 4.323 20 0 FIADMP Clc1ccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1Cl ZINC001168116341 1110266130 /nfs/dbraw/zinc/26/61/30/1110266130.db2.gz UYYSBYNQNDWYLF-INIZCTEOSA-N 2 1 357.325 4.323 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000538407789 1111129144 /nfs/dbraw/zinc/12/91/44/1111129144.db2.gz KUSCVWRJMRZQJO-BLCKVISQSA-N 2 1 356.554 4.080 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000538410875 1111130284 /nfs/dbraw/zinc/13/02/84/1111130284.db2.gz LHXIRIGBCSCLII-CTNGQTDRSA-N 2 1 374.532 4.420 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461371802 1111178135 /nfs/dbraw/zinc/17/81/35/1111178135.db2.gz MQGHKGCDQJYZBH-UHFFFAOYSA-N 2 1 354.485 4.195 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538749881 1111280821 /nfs/dbraw/zinc/28/08/21/1111280821.db2.gz LJVWEZYSUFCBIC-SFHVURJKSA-N 2 1 365.587 4.124 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760858 1111289874 /nfs/dbraw/zinc/28/98/74/1111289874.db2.gz PYLPLXBOFURGAH-QZTJIDSGSA-N 2 1 357.567 4.377 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760858 1111289879 /nfs/dbraw/zinc/28/98/79/1111289879.db2.gz PYLPLXBOFURGAH-QZTJIDSGSA-N 2 1 357.567 4.377 20 0 FIADMP c1[nH]nc2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798625 1111295001 /nfs/dbraw/zinc/29/50/01/1111295001.db2.gz PTPUWHFPLYNRIS-GMAHTHKFSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798625 1111295005 /nfs/dbraw/zinc/29/50/05/1111295005.db2.gz PTPUWHFPLYNRIS-GMAHTHKFSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798625 1111295011 /nfs/dbraw/zinc/29/50/11/1111295011.db2.gz PTPUWHFPLYNRIS-GMAHTHKFSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798625 1111295015 /nfs/dbraw/zinc/29/50/15/1111295015.db2.gz PTPUWHFPLYNRIS-GMAHTHKFSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798625 1111295019 /nfs/dbraw/zinc/29/50/19/1111295019.db2.gz PTPUWHFPLYNRIS-GMAHTHKFSA-N 2 1 360.505 4.049 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ccccc12 ZINC000538799121 1111295596 /nfs/dbraw/zinc/29/55/96/1111295596.db2.gz OKCUGSZJBCRHTK-XMSQKQJNSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc12 ZINC000538799121 1111295598 /nfs/dbraw/zinc/29/55/98/1111295598.db2.gz OKCUGSZJBCRHTK-XMSQKQJNSA-N 2 1 350.506 4.297 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000461794421 1111358879 /nfs/dbraw/zinc/35/88/79/1111358879.db2.gz ASMVNZHYWUBHBM-KRWDZBQOSA-N 2 1 358.476 4.050 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000539037795 1111398122 /nfs/dbraw/zinc/39/81/22/1111398122.db2.gz SMIOCYQFEFUFDN-GOUWZUTHSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000539037795 1111398127 /nfs/dbraw/zinc/39/81/27/1111398127.db2.gz SMIOCYQFEFUFDN-GOUWZUTHSA-N 2 1 364.533 4.407 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000539055824 1111403209 /nfs/dbraw/zinc/40/32/09/1111403209.db2.gz LJZRQNPFYUJXTN-JJEOQYAHSA-N 2 1 360.505 4.277 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000539055823 1111403280 /nfs/dbraw/zinc/40/32/80/1111403280.db2.gz LJZRQNPFYUJXTN-IMRHEYAYSA-N 2 1 360.505 4.277 20 0 FIADMP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000539065760 1111415358 /nfs/dbraw/zinc/41/53/58/1111415358.db2.gz KMMLLDWPWJKXOZ-VGSWGCGISA-N 2 1 356.485 4.156 20 0 FIADMP CC[NH+]1CCC(Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000462070057 1111488403 /nfs/dbraw/zinc/48/84/03/1111488403.db2.gz VDNKNBWHMGWMDK-HSZRJFAPSA-N 2 1 373.585 4.362 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462107774 1111495528 /nfs/dbraw/zinc/49/55/28/1111495528.db2.gz IFMCEBOCAZDVTO-BMGDILEWSA-N 2 1 353.348 4.233 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462107774 1111495535 /nfs/dbraw/zinc/49/55/35/1111495535.db2.gz IFMCEBOCAZDVTO-BMGDILEWSA-N 2 1 353.348 4.233 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552056382 1111559833 /nfs/dbraw/zinc/55/98/33/1111559833.db2.gz ATHUTBIDRCTHCC-DBDQLMEASA-N 2 1 352.444 4.414 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552056383 1111560105 /nfs/dbraw/zinc/56/01/05/1111560105.db2.gz ATHUTBIDRCTHCC-GBBGEASQSA-N 2 1 352.444 4.414 20 0 FIADMP CC(C)C1CCC([NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000552281378 1111658920 /nfs/dbraw/zinc/65/89/20/1111658920.db2.gz TYLINTIFHVNPSG-VHYCJAOWSA-N 2 1 369.597 4.093 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000478316717 1111743300 /nfs/dbraw/zinc/74/33/00/1111743300.db2.gz RGVKQSSAVXUVNP-HXUWFJFHSA-N 2 1 368.569 4.050 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000478316717 1111743306 /nfs/dbraw/zinc/74/33/06/1111743306.db2.gz RGVKQSSAVXUVNP-HXUWFJFHSA-N 2 1 368.569 4.050 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000552588376 1111754550 /nfs/dbraw/zinc/75/45/50/1111754550.db2.gz XEEQKJDUORHAAR-FHWLQOOXSA-N 2 1 371.352 4.412 20 0 FIADMP Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000553092259 1111902412 /nfs/dbraw/zinc/90/24/12/1111902412.db2.gz XLAKQWQXUVYPAA-QHCPKHFHSA-N 2 1 352.522 4.314 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479063415 1111939021 /nfs/dbraw/zinc/93/90/21/1111939021.db2.gz FEDHKGLHFUSRRO-QHCPKHFHSA-N 2 1 374.532 4.491 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479071662 1111940606 /nfs/dbraw/zinc/94/06/06/1111940606.db2.gz SQWQBCILVDMWMK-SFHVURJKSA-N 2 1 362.315 4.401 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000479466711 1112041620 /nfs/dbraw/zinc/04/16/20/1112041620.db2.gz SECMIBBATYRHGD-FUHWJXTLSA-N 2 1 372.484 4.016 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000479466711 1112041625 /nfs/dbraw/zinc/04/16/25/1112041625.db2.gz SECMIBBATYRHGD-FUHWJXTLSA-N 2 1 372.484 4.016 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000479526125 1112052955 /nfs/dbraw/zinc/05/29/55/1112052955.db2.gz LAAQEFCAVKYUJD-IYERYRBDSA-N 2 1 362.533 4.188 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000479872170 1112171318 /nfs/dbraw/zinc/17/13/18/1112171318.db2.gz HIVWGHGDCGTGNS-ROUUACIJSA-N 2 1 360.546 4.132 20 0 FIADMP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479904385 1112191940 /nfs/dbraw/zinc/19/19/40/1112191940.db2.gz PWBHXRZZJAPKJA-LJQANCHMSA-N 2 1 368.521 4.158 20 0 FIADMP COCc1csc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000667590021 1112231810 /nfs/dbraw/zinc/23/18/10/1112231810.db2.gz JCZJSKVLEHRFMV-UHFFFAOYSA-N 2 1 358.551 4.239 20 0 FIADMP FC(F)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000898518116 1112289787 /nfs/dbraw/zinc/28/97/87/1112289787.db2.gz YUDOUSIPEFABKK-HSALFYBXSA-N 2 1 371.475 4.410 20 0 FIADMP COC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1F ZINC000554348765 1112310360 /nfs/dbraw/zinc/31/03/60/1112310360.db2.gz GNWPGSDQIXMCTF-SFHVURJKSA-N 2 1 350.865 4.018 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)ccc1OC(F)F ZINC000480170799 1112315233 /nfs/dbraw/zinc/31/52/33/1112315233.db2.gz RHVLMIBQOCEFIC-HNNXBMFYSA-N 2 1 356.457 4.069 20 0 FIADMP COc1ccc(C2([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000480204657 1112331649 /nfs/dbraw/zinc/33/16/49/1112331649.db2.gz ZLXSDZRDIQMDFP-ICSRJNTNSA-N 2 1 350.506 4.185 20 0 FIADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000480259668 1112348522 /nfs/dbraw/zinc/34/85/22/1112348522.db2.gz IFNCODHMNMIQSU-HZPDHXFCSA-N 2 1 358.448 4.118 20 0 FIADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000480259668 1112348525 /nfs/dbraw/zinc/34/85/25/1112348525.db2.gz IFNCODHMNMIQSU-HZPDHXFCSA-N 2 1 358.448 4.118 20 0 FIADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000480252434 1112350848 /nfs/dbraw/zinc/35/08/48/1112350848.db2.gz UWUIBEWPSDQYEC-HKUYNNGSSA-N 2 1 371.491 4.076 20 0 FIADMP Fc1cccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccc(F)c2)c1 ZINC000480267302 1112353121 /nfs/dbraw/zinc/35/31/21/1112353121.db2.gz QKTCMLRHKKODLB-QFIPXVFZSA-N 2 1 356.460 4.465 20 0 FIADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1Cl ZINC001168363251 1112506029 /nfs/dbraw/zinc/50/60/29/1112506029.db2.gz XJLUXNTUEGOUJM-IBGZPJMESA-N 2 1 370.368 4.060 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000554862022 1112543493 /nfs/dbraw/zinc/54/34/93/1112543493.db2.gz WDLCUXYJROBBNC-UHFFFAOYSA-N 2 1 358.570 4.439 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)s1 ZINC000480733487 1112569293 /nfs/dbraw/zinc/56/92/93/1112569293.db2.gz UKFPCSUFZADXLO-SFHVURJKSA-N 2 1 371.594 4.299 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000480751132 1112577880 /nfs/dbraw/zinc/57/78/80/1112577880.db2.gz UYKMPLCWHJMWAH-SFLYRZDNSA-N 2 1 363.549 4.013 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000480744279 1112582910 /nfs/dbraw/zinc/58/29/10/1112582910.db2.gz YFLYOXDUVBMKPJ-WMHQRMGPSA-N 2 1 357.325 4.366 20 0 FIADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000480771057 1112590239 /nfs/dbraw/zinc/59/02/39/1112590239.db2.gz ABKYUNRNPGJJHZ-SFHVURJKSA-N 2 1 373.566 4.054 20 0 FIADMP C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000480770604 1112596936 /nfs/dbraw/zinc/59/69/36/1112596936.db2.gz PBIPCTNFYYYSGF-SFHVURJKSA-N 2 1 369.528 4.249 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333330 1112903770 /nfs/dbraw/zinc/90/37/70/1112903770.db2.gz SKHUQKFBBCQUAQ-MJGOQNOKSA-N 2 1 356.485 4.397 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536836 1112913714 /nfs/dbraw/zinc/91/37/14/1112913714.db2.gz ABJGDEPZEZCZIM-RDJZCZTQSA-N 2 1 365.359 4.016 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Br ZINC000481446522 1112945493 /nfs/dbraw/zinc/94/54/93/1112945493.db2.gz QYLWKSLGYKFOSP-CYBMUJFWSA-N 2 1 367.331 4.125 20 0 FIADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481586609 1112986909 /nfs/dbraw/zinc/98/69/09/1112986909.db2.gz YJYBRJYGXZXNPJ-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481586609 1112986913 /nfs/dbraw/zinc/98/69/13/1112986913.db2.gz YJYBRJYGXZXNPJ-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579305 1112988138 /nfs/dbraw/zinc/98/81/38/1112988138.db2.gz IETHBCCDBFMRPL-AUSIDOKSSA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579305 1112988139 /nfs/dbraw/zinc/98/81/39/1112988139.db2.gz IETHBCCDBFMRPL-AUSIDOKSSA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(OC)c1 ZINC000481584972 1112989237 /nfs/dbraw/zinc/98/92/37/1112989237.db2.gz UTUZKVOXVVYZHL-FDDCHVKYSA-N 2 1 368.521 4.157 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(OC)c1 ZINC000481584972 1112989238 /nfs/dbraw/zinc/98/92/38/1112989238.db2.gz UTUZKVOXVVYZHL-FDDCHVKYSA-N 2 1 368.521 4.157 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915571 1113131052 /nfs/dbraw/zinc/13/10/52/1113131052.db2.gz CJJOMJJCQIBMBZ-UTKZUKDTSA-N 2 1 355.551 4.486 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915571 1113131053 /nfs/dbraw/zinc/13/10/53/1113131053.db2.gz CJJOMJJCQIBMBZ-UTKZUKDTSA-N 2 1 355.551 4.486 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995495 1113151352 /nfs/dbraw/zinc/15/13/52/1113151352.db2.gz VMRHYUKBAPSPSP-VGOFRKELSA-N 2 1 365.496 4.350 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995495 1113151355 /nfs/dbraw/zinc/15/13/55/1113151355.db2.gz VMRHYUKBAPSPSP-VGOFRKELSA-N 2 1 365.496 4.350 20 0 FIADMP Cc1[nH+]cc(CNc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)n1C ZINC000667986322 1113168029 /nfs/dbraw/zinc/16/80/29/1113168029.db2.gz XWCQKKDEEQWLPZ-JOCHJYFZSA-N 2 1 370.541 4.120 20 0 FIADMP Cc1[nH+]cc(CNc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)n1C ZINC000667986322 1113168031 /nfs/dbraw/zinc/16/80/31/1113168031.db2.gz XWCQKKDEEQWLPZ-JOCHJYFZSA-N 2 1 370.541 4.120 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132455 1113178760 /nfs/dbraw/zinc/17/87/60/1113178760.db2.gz ZVGMHZYUGWJYHV-DLBZAZTESA-N 2 1 356.535 4.341 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132455 1113178762 /nfs/dbraw/zinc/17/87/62/1113178762.db2.gz ZVGMHZYUGWJYHV-DLBZAZTESA-N 2 1 356.535 4.341 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127663 1113184177 /nfs/dbraw/zinc/18/41/77/1113184177.db2.gz ORJIPHNLNIBYTG-VGOFRKELSA-N 2 1 350.506 4.108 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000482212494 1113203198 /nfs/dbraw/zinc/20/31/98/1113203198.db2.gz QBTUTPFDEZZLMT-WMZHIEFXSA-N 2 1 364.533 4.197 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000482212494 1113203201 /nfs/dbraw/zinc/20/32/01/1113203201.db2.gz QBTUTPFDEZZLMT-WMZHIEFXSA-N 2 1 364.533 4.197 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482445260 1113258997 /nfs/dbraw/zinc/25/89/97/1113258997.db2.gz ISDJNYYEPXTVJU-JTHBVZDNSA-N 2 1 364.533 4.363 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1)C1CC1 ZINC000482599983 1113304679 /nfs/dbraw/zinc/30/46/79/1113304679.db2.gz XCYPCCSCGUHHMH-UHFFFAOYSA-N 2 1 365.521 4.293 20 0 FIADMP Cc1ccncc1C[NH+](C)Cc1ccccc1C[N@H+](C)Cc1cnccc1C ZINC000483042208 1113429680 /nfs/dbraw/zinc/42/96/80/1113429680.db2.gz BUDIDORJEWSUJE-UHFFFAOYSA-N 2 1 374.532 4.357 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000483140253 1113451998 /nfs/dbraw/zinc/45/19/98/1113451998.db2.gz PSAYFFUNYDGQKV-NUJGCVRESA-N 2 1 350.572 4.024 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182246 1113459165 /nfs/dbraw/zinc/45/91/65/1113459165.db2.gz YIPZSUVOLSBJIB-KPEUIFRASA-N 2 1 358.448 4.101 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182246 1113459166 /nfs/dbraw/zinc/45/91/66/1113459166.db2.gz YIPZSUVOLSBJIB-KPEUIFRASA-N 2 1 358.448 4.101 20 0 FIADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000483217464 1113467383 /nfs/dbraw/zinc/46/73/83/1113467383.db2.gz NARVESHVJJIGKT-HXUWFJFHSA-N 2 1 357.586 4.184 20 0 FIADMP Cc1ccccc1[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483217464 1113467384 /nfs/dbraw/zinc/46/73/84/1113467384.db2.gz NARVESHVJJIGKT-HXUWFJFHSA-N 3 1 357.586 4.184 20 0 FIADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483217464 1113467386 /nfs/dbraw/zinc/46/73/86/1113467386.db2.gz NARVESHVJJIGKT-HXUWFJFHSA-N 3 1 357.586 4.184 20 0 FIADMP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486461857 1113572470 /nfs/dbraw/zinc/57/24/70/1113572470.db2.gz PQAOILFBWFSTDI-COQOWEQBSA-N 2 1 350.506 4.209 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486487859 1113579571 /nfs/dbraw/zinc/57/95/71/1113579571.db2.gz KNNYKMKWXKOREK-VQIMIIECSA-N 2 1 360.448 4.288 20 0 FIADMP C[NH+](CCC(F)(F)F)Cc1cccc(C[N@@H+](C)CCC(F)(F)F)c1 ZINC000486978017 1113689542 /nfs/dbraw/zinc/68/95/42/1113689542.db2.gz RHKSQQBOTJJFEV-UHFFFAOYSA-N 2 1 356.354 4.455 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000488117327 1113859461 /nfs/dbraw/zinc/85/94/61/1113859461.db2.gz YEJCEYWWTCUQKI-XYEHWOGUSA-N 2 1 354.538 4.108 20 0 FIADMP Cc1cccc(C[NH+](C)Cc2cccc(C[N@H+](C)Cc3cccc(C)n3)c2)n1 ZINC000489637416 1114148586 /nfs/dbraw/zinc/14/85/86/1114148586.db2.gz WYPMGRGWBUPGLM-UHFFFAOYSA-N 2 1 374.532 4.357 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000489661066 1114152060 /nfs/dbraw/zinc/15/20/60/1114152060.db2.gz WCJGISHZBJSCIZ-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000489661066 1114152062 /nfs/dbraw/zinc/15/20/62/1114152062.db2.gz WCJGISHZBJSCIZ-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP C[C@@H]1[C@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489912907 1114191920 /nfs/dbraw/zinc/19/19/20/1114191920.db2.gz XLDZSBFDLPZACK-AUSIDOKSSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000489912907 1114191923 /nfs/dbraw/zinc/19/19/23/1114191923.db2.gz XLDZSBFDLPZACK-AUSIDOKSSA-N 2 1 355.570 4.036 20 0 FIADMP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055655 1114368265 /nfs/dbraw/zinc/36/82/65/1114368265.db2.gz HHVGQOJPMWHNJZ-SFHVURJKSA-N 2 1 352.469 4.376 20 0 FIADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055655 1114368268 /nfs/dbraw/zinc/36/82/68/1114368268.db2.gz HHVGQOJPMWHNJZ-SFHVURJKSA-N 2 1 352.469 4.376 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000571466598 1114466160 /nfs/dbraw/zinc/46/61/60/1114466160.db2.gz BTYAFUDKVIUIDA-ZWKOTPCHSA-N 2 1 353.510 4.315 20 0 FIADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001168381570 1114512555 /nfs/dbraw/zinc/51/25/55/1114512555.db2.gz YAQZTYXOMKDGTQ-UPVQGACJSA-N 2 1 367.581 4.195 20 0 FIADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571781273 1114537231 /nfs/dbraw/zinc/53/72/31/1114537231.db2.gz RIPCKNWKOGBYRM-HJNYFJLDSA-N 2 1 370.581 4.330 20 0 FIADMP CCOC(=O)CC(C)(C)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000588204760 1114555157 /nfs/dbraw/zinc/55/51/57/1114555157.db2.gz JFZOWBDTEBTYQO-NGRWLJPCSA-N 2 1 374.569 4.102 20 0 FIADMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1OCc1ccccc1 ZINC000588257845 1114566482 /nfs/dbraw/zinc/56/64/82/1114566482.db2.gz IAOLCWUYIKNVAX-UHFFFAOYSA-N 2 1 368.521 4.240 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nn(C)c4ccccc34)cc2)C1 ZINC000589641096 1114819201 /nfs/dbraw/zinc/81/92/01/1114819201.db2.gz RZZOOLBKQJYONE-SFHVURJKSA-N 2 1 362.521 4.095 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000589836046 1114847190 /nfs/dbraw/zinc/84/71/90/1114847190.db2.gz FJKRKWFRKHJQJK-HXUWFJFHSA-N 2 1 367.537 4.262 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000590786856 1114974675 /nfs/dbraw/zinc/97/46/75/1114974675.db2.gz ADOYZADPVNUXIY-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000590786856 1114974678 /nfs/dbraw/zinc/97/46/78/1114974678.db2.gz ADOYZADPVNUXIY-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845030 1115112877 /nfs/dbraw/zinc/11/28/77/1115112877.db2.gz XEKSREHAOWMKHG-LJQANCHMSA-N 2 1 373.541 4.197 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845030 1115112880 /nfs/dbraw/zinc/11/28/80/1115112880.db2.gz XEKSREHAOWMKHG-LJQANCHMSA-N 2 1 373.541 4.197 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845030 1115112883 /nfs/dbraw/zinc/11/28/83/1115112883.db2.gz XEKSREHAOWMKHG-LJQANCHMSA-N 2 1 373.541 4.197 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000760845030 1115112885 /nfs/dbraw/zinc/11/28/85/1115112885.db2.gz XEKSREHAOWMKHG-LJQANCHMSA-N 2 1 373.541 4.197 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919439 1115196251 /nfs/dbraw/zinc/19/62/51/1115196251.db2.gz LBDAYRPOABVDJV-WOJBJXKFSA-N 2 1 356.579 4.307 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919439 1115196254 /nfs/dbraw/zinc/19/62/54/1115196254.db2.gz LBDAYRPOABVDJV-WOJBJXKFSA-N 2 1 356.579 4.307 20 0 FIADMP CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001168404739 1115448462 /nfs/dbraw/zinc/44/84/62/1115448462.db2.gz VHMZOYWQRUYZAY-DEOSSOPVSA-N 2 1 366.549 4.446 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1C ZINC000597057689 1115636278 /nfs/dbraw/zinc/63/62/78/1115636278.db2.gz OJAQHKDFLPOGJN-UHFFFAOYSA-N 2 1 370.493 4.040 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1F ZINC000669679710 1115773818 /nfs/dbraw/zinc/77/38/18/1115773818.db2.gz FTQUYAUYQFJNQH-UHFFFAOYSA-N 2 1 356.485 4.356 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000606409620 1115943373 /nfs/dbraw/zinc/94/33/73/1115943373.db2.gz OJXPODKUDWALCP-JOCHJYFZSA-N 2 1 371.569 4.009 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168422689 1116004494 /nfs/dbraw/zinc/00/44/94/1116004494.db2.gz ZUWWLVOCIKQKEL-VSDWSMLSSA-N 2 1 352.497 4.183 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168422689 1116004496 /nfs/dbraw/zinc/00/44/96/1116004496.db2.gz ZUWWLVOCIKQKEL-VSDWSMLSSA-N 2 1 352.497 4.183 20 0 FIADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000607279431 1116014734 /nfs/dbraw/zinc/01/47/34/1116014734.db2.gz WCWIBVQGGQTPHU-HDICACEKSA-N 2 1 357.542 4.262 20 0 FIADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000607279431 1116014736 /nfs/dbraw/zinc/01/47/36/1116014736.db2.gz WCWIBVQGGQTPHU-HDICACEKSA-N 2 1 357.542 4.262 20 0 FIADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000607279431 1116014738 /nfs/dbraw/zinc/01/47/38/1116014738.db2.gz WCWIBVQGGQTPHU-HDICACEKSA-N 2 1 357.542 4.262 20 0 FIADMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124697 1116150773 /nfs/dbraw/zinc/15/07/73/1116150773.db2.gz NSNYGCLCRVTKBK-RDJZCZTQSA-N 2 1 354.460 4.473 20 0 FIADMP C[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124697 1116150775 /nfs/dbraw/zinc/15/07/75/1116150775.db2.gz NSNYGCLCRVTKBK-RDJZCZTQSA-N 2 1 354.460 4.473 20 0 FIADMP C[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124697 1116150776 /nfs/dbraw/zinc/15/07/76/1116150776.db2.gz NSNYGCLCRVTKBK-RDJZCZTQSA-N 2 1 354.460 4.473 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000534315484 1116183773 /nfs/dbraw/zinc/18/37/73/1116183773.db2.gz ASLIDDSGBUBOME-FQEVSTJZSA-N 2 1 351.498 4.086 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000534315484 1116183774 /nfs/dbraw/zinc/18/37/74/1116183774.db2.gz ASLIDDSGBUBOME-FQEVSTJZSA-N 2 1 351.498 4.086 20 0 FIADMP C[NH+]1CCC([C@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)C2)CC1 ZINC000535159671 1116275304 /nfs/dbraw/zinc/27/53/04/1116275304.db2.gz GQJBZBOECOZLGB-HNNXBMFYSA-N 2 1 374.326 4.165 20 0 FIADMP Cc1cccn2c(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cnc12 ZINC000539825393 1116383965 /nfs/dbraw/zinc/38/39/65/1116383965.db2.gz RIGJBXUSJNORQH-IBGZPJMESA-N 2 1 354.542 4.119 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000462689167 1116393316 /nfs/dbraw/zinc/39/33/16/1116393316.db2.gz VBAMNLAIPITMMW-QGZVFWFLSA-N 2 1 374.960 4.436 20 0 FIADMP COc1ccc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000539895370 1117738955 /nfs/dbraw/zinc/73/89/55/1117738955.db2.gz CSQNUOJRLZVMPQ-OFNKIYASSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000539895370 1117738958 /nfs/dbraw/zinc/73/89/58/1117738958.db2.gz CSQNUOJRLZVMPQ-OFNKIYASSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000539895370 1117738959 /nfs/dbraw/zinc/73/89/59/1117738959.db2.gz CSQNUOJRLZVMPQ-OFNKIYASSA-N 2 1 350.506 4.297 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000669851612 1117768852 /nfs/dbraw/zinc/76/88/52/1117768852.db2.gz IRPNGZADKQKLIQ-FYYLOGMGSA-N 2 1 363.549 4.156 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000669851612 1117768854 /nfs/dbraw/zinc/76/88/54/1117768854.db2.gz IRPNGZADKQKLIQ-FYYLOGMGSA-N 2 1 363.549 4.156 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000462790288 1117774289 /nfs/dbraw/zinc/77/42/89/1117774289.db2.gz SXPPBUXRCRCGEI-UNWVZKJWSA-N 2 1 356.554 4.144 20 0 FIADMP Cc1[nH+]ccn1CCCNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000462851123 1117809859 /nfs/dbraw/zinc/80/98/59/1117809859.db2.gz BOUVKHDINSEVLJ-UHFFFAOYSA-N 2 1 373.298 4.043 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000462903495 1117849463 /nfs/dbraw/zinc/84/94/63/1117849463.db2.gz ALORXNWDSNNTTB-XMMPIXPASA-N 2 1 364.533 4.201 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000540144549 1117895980 /nfs/dbraw/zinc/89/59/80/1117895980.db2.gz ZMFBSSMJKAGGSS-ZJOUEHCJSA-N 2 1 354.542 4.415 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148150 1117898543 /nfs/dbraw/zinc/89/85/43/1117898543.db2.gz VILYTMKDEJUNEX-APWZRJJASA-N 2 1 372.475 4.351 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148150 1117898551 /nfs/dbraw/zinc/89/85/51/1117898551.db2.gz VILYTMKDEJUNEX-APWZRJJASA-N 2 1 372.475 4.351 20 0 FIADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540173120 1117913617 /nfs/dbraw/zinc/91/36/17/1117913617.db2.gz CVEPVEROSQGXDF-IXDOHACOSA-N 2 1 370.484 4.136 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000540176634 1117916507 /nfs/dbraw/zinc/91/65/07/1117916507.db2.gz UJBNWNPVRJSSTO-DYESRHJHSA-N 2 1 374.475 4.331 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000463026490 1117921381 /nfs/dbraw/zinc/92/13/81/1117921381.db2.gz YTJRCGJXDCTHOA-YTQUADARSA-N 2 1 350.572 4.142 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000463026490 1117921384 /nfs/dbraw/zinc/92/13/84/1117921384.db2.gz YTJRCGJXDCTHOA-YTQUADARSA-N 2 1 350.572 4.142 20 0 FIADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000540182840 1117925642 /nfs/dbraw/zinc/92/56/42/1117925642.db2.gz UBRPTUZZDQWHMR-VXKWHMMOSA-N 2 1 356.554 4.256 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000463081314 1117952664 /nfs/dbraw/zinc/95/26/64/1117952664.db2.gz DFAQTQMGLGNSRT-UHFFFAOYSA-N 2 1 354.542 4.075 20 0 FIADMP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463086865 1117965875 /nfs/dbraw/zinc/96/58/75/1117965875.db2.gz UGAGQVRQBMZDIA-XMSQKQJNSA-N 2 1 362.533 4.018 20 0 FIADMP C[N@@H+]1CCCC12CC[NH+](CCOC(c1ccccc1)c1ccccc1)CC2 ZINC000540295567 1117973644 /nfs/dbraw/zinc/97/36/44/1117973644.db2.gz HQANMKFATYQESV-UHFFFAOYSA-N 2 1 364.533 4.353 20 0 FIADMP C[N@H+]1CCCC12CC[NH+](CCOC(c1ccccc1)c1ccccc1)CC2 ZINC000540295567 1117973646 /nfs/dbraw/zinc/97/36/46/1117973646.db2.gz HQANMKFATYQESV-UHFFFAOYSA-N 2 1 364.533 4.353 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000463144476 1117981708 /nfs/dbraw/zinc/98/17/08/1117981708.db2.gz KFSSIIRXFJCFMY-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000463144476 1117981709 /nfs/dbraw/zinc/98/17/09/1117981709.db2.gz KFSSIIRXFJCFMY-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463144966 1117982340 /nfs/dbraw/zinc/98/23/40/1117982340.db2.gz LMVLZUOFOYVBTG-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000463144966 1117982344 /nfs/dbraw/zinc/98/23/44/1117982344.db2.gz LMVLZUOFOYVBTG-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136516 1117984884 /nfs/dbraw/zinc/98/48/84/1117984884.db2.gz KKLSOFYAZZKSBP-JTOYRKQZSA-N 2 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136516 1117984888 /nfs/dbraw/zinc/98/48/88/1117984888.db2.gz KKLSOFYAZZKSBP-JTOYRKQZSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136516 1117984892 /nfs/dbraw/zinc/98/48/92/1117984892.db2.gz KKLSOFYAZZKSBP-JTOYRKQZSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136516 1117984894 /nfs/dbraw/zinc/98/48/94/1117984894.db2.gz KKLSOFYAZZKSBP-JTOYRKQZSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136516 1117984898 /nfs/dbraw/zinc/98/48/98/1117984898.db2.gz KKLSOFYAZZKSBP-JTOYRKQZSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140046 1117987275 /nfs/dbraw/zinc/98/72/75/1117987275.db2.gz KACCDRZDIKBAQD-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140046 1117987279 /nfs/dbraw/zinc/98/72/79/1117987279.db2.gz KACCDRZDIKBAQD-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCCC2 ZINC000463191165 1118007834 /nfs/dbraw/zinc/00/78/34/1118007834.db2.gz MEZSSKNILIWJPZ-FCHUYYIVSA-N 2 1 356.554 4.021 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Oc1ccccc1F ZINC000463194374 1118009443 /nfs/dbraw/zinc/00/94/43/1118009443.db2.gz YRHAITFFVWBZAY-NSHGMRRFSA-N 2 1 356.485 4.236 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Oc1ccccc1F ZINC000463194374 1118009450 /nfs/dbraw/zinc/00/94/50/1118009450.db2.gz YRHAITFFVWBZAY-NSHGMRRFSA-N 2 1 356.485 4.236 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463187616 1118015991 /nfs/dbraw/zinc/01/59/91/1118015991.db2.gz CAOWVCANWUDRRR-ZVDOUQERSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463187616 1118015997 /nfs/dbraw/zinc/01/59/97/1118015997.db2.gz CAOWVCANWUDRRR-ZVDOUQERSA-N 2 1 368.521 4.105 20 0 FIADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000540419302 1118045775 /nfs/dbraw/zinc/04/57/75/1118045775.db2.gz WFINIWQLHAMGEQ-PBFPGSCMSA-N 2 1 369.372 4.163 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3(Cc4ccccc4)CC3)CC2)cc1 ZINC000463281670 1118068503 /nfs/dbraw/zinc/06/85/03/1118068503.db2.gz PTFFMSKYXDKFTP-UHFFFAOYSA-N 2 1 352.497 4.198 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463284164 1118070149 /nfs/dbraw/zinc/07/01/49/1118070149.db2.gz VCTWDTXQTWMXIO-GHTZIAJQSA-N 2 1 365.521 4.156 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463284164 1118070155 /nfs/dbraw/zinc/07/01/55/1118070155.db2.gz VCTWDTXQTWMXIO-GHTZIAJQSA-N 2 1 365.521 4.156 20 0 FIADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCCC4CCOCC4)CC[C@H]32)cc1 ZINC000463293166 1118077379 /nfs/dbraw/zinc/07/73/79/1118077379.db2.gz DVKSUPSKBMTOBP-XZOQPEGZSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCCC4CCOCC4)CC[C@H]32)cc1 ZINC000463293166 1118077383 /nfs/dbraw/zinc/07/73/83/1118077383.db2.gz DVKSUPSKBMTOBP-XZOQPEGZSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCCC4CCOCC4)CC[C@H]32)cc1 ZINC000463293166 1118077388 /nfs/dbraw/zinc/07/73/88/1118077388.db2.gz DVKSUPSKBMTOBP-XZOQPEGZSA-N 2 1 356.554 4.180 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463288279 1118084569 /nfs/dbraw/zinc/08/45/69/1118084569.db2.gz ZZCLWWUFOSUNBD-AVRDEDQJSA-N 2 1 355.501 4.270 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463288279 1118084577 /nfs/dbraw/zinc/08/45/77/1118084577.db2.gz ZZCLWWUFOSUNBD-AVRDEDQJSA-N 2 1 355.501 4.270 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645824 1118172197 /nfs/dbraw/zinc/17/21/97/1118172197.db2.gz LITWJRXMBDJTHM-JTSKRJEESA-N 2 1 356.510 4.220 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658652 1118177469 /nfs/dbraw/zinc/17/74/69/1118177469.db2.gz PTPJRFYWFZNSJX-QTEQDKRBSA-N 2 1 370.537 4.487 20 0 FIADMP CCc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)cc1 ZINC000540988761 1118339523 /nfs/dbraw/zinc/33/95/23/1118339523.db2.gz OKZBKGBZNQCNEC-ZEQRLZLVSA-N 2 1 366.549 4.303 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1F ZINC000540989949 1118340844 /nfs/dbraw/zinc/34/08/44/1118340844.db2.gz ALMLWZRMPZHMAE-VQIMIIECSA-N 2 1 356.913 4.003 20 0 FIADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000540992168 1118341923 /nfs/dbraw/zinc/34/19/23/1118341923.db2.gz VTPMGSYITYDTFY-KNQAVFIVSA-N 2 1 352.522 4.111 20 0 FIADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000540992369 1118342061 /nfs/dbraw/zinc/34/20/61/1118342061.db2.gz VTPMGSYITYDTFY-SIKLNZKXSA-N 2 1 352.522 4.111 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)c1 ZINC000464057807 1118421101 /nfs/dbraw/zinc/42/11/01/1118421101.db2.gz OWDHZVKXXQVECW-YSTOQKLRSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)c1 ZINC000464057807 1118421103 /nfs/dbraw/zinc/42/11/03/1118421103.db2.gz OWDHZVKXXQVECW-YSTOQKLRSA-N 2 1 362.583 4.145 20 0 FIADMP CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552986 1118560014 /nfs/dbraw/zinc/56/00/14/1118560014.db2.gz YLNSQRRLHCLXRB-SBUREZEXSA-N 2 1 363.480 4.395 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600542 1118574341 /nfs/dbraw/zinc/57/43/41/1118574341.db2.gz LDPYXOJBWWSPAO-FXAWDEMLSA-N 2 1 372.553 4.385 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600544 1118574621 /nfs/dbraw/zinc/57/46/21/1118574621.db2.gz LDPYXOJBWWSPAO-XLIONFOSSA-N 2 1 372.553 4.385 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)(C)c1ccccc1 ZINC000541915166 1118706636 /nfs/dbraw/zinc/70/66/36/1118706636.db2.gz BAVGBTAOJLQHMC-CVDCTZTESA-N 2 1 366.549 4.099 20 0 FIADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839303 1118708997 /nfs/dbraw/zinc/70/89/97/1118708997.db2.gz QLQDZHUMIVTMIC-FQEVSTJZSA-N 2 1 356.485 4.049 20 0 FIADMP C[NH+](CCCOc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839303 1118708998 /nfs/dbraw/zinc/70/89/98/1118708998.db2.gz QLQDZHUMIVTMIC-FQEVSTJZSA-N 2 1 356.485 4.049 20 0 FIADMP C[NH+](CCCOc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839303 1118709001 /nfs/dbraw/zinc/70/90/01/1118709001.db2.gz QLQDZHUMIVTMIC-FQEVSTJZSA-N 2 1 356.485 4.049 20 0 FIADMP C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831351 1118715734 /nfs/dbraw/zinc/71/57/34/1118715734.db2.gz ACKVFBHQBXBGMZ-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccc(Cl)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464831351 1118715740 /nfs/dbraw/zinc/71/57/40/1118715740.db2.gz ACKVFBHQBXBGMZ-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccc(Cl)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464831351 1118715743 /nfs/dbraw/zinc/71/57/43/1118715743.db2.gz ACKVFBHQBXBGMZ-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000173350248 1119034957 /nfs/dbraw/zinc/03/49/57/1119034957.db2.gz AXIZPLLVOSFBPW-ROUUACIJSA-N 2 1 370.562 4.480 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000173350248 1119034963 /nfs/dbraw/zinc/03/49/63/1119034963.db2.gz AXIZPLLVOSFBPW-ROUUACIJSA-N 2 1 370.562 4.480 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365907 1119035437 /nfs/dbraw/zinc/03/54/37/1119035437.db2.gz UXVBXSFZQAFIQB-SJORKVTESA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365907 1119035439 /nfs/dbraw/zinc/03/54/39/1119035439.db2.gz UXVBXSFZQAFIQB-SJORKVTESA-N 2 1 374.550 4.328 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000542465095 1119287746 /nfs/dbraw/zinc/28/77/46/1119287746.db2.gz SRAQIXGOTTZZLL-QVKFZJNVSA-N 2 1 350.441 4.298 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1SC(F)F ZINC000152467651 1119322987 /nfs/dbraw/zinc/32/29/87/1119322987.db2.gz LJSOIKOKYZOFKG-CHWSQXEVSA-N 2 1 356.482 4.145 20 0 FIADMP COc1cccc(F)c1[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517777 1119377822 /nfs/dbraw/zinc/37/78/22/1119377822.db2.gz IQJVGQZRURYLHE-ZIFCJYIRSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000311523622 1119378443 /nfs/dbraw/zinc/37/84/43/1119378443.db2.gz PVANYEVAEPVTDF-MSYCTHLASA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311633983 1119383074 /nfs/dbraw/zinc/38/30/74/1119383074.db2.gz JRNBNYBUULODQP-JQVVWYNYSA-N 2 1 352.522 4.126 20 0 FIADMP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311704804 1119385291 /nfs/dbraw/zinc/38/52/91/1119385291.db2.gz VAQGWMPFZFZQKZ-DENIHFKCSA-N 2 1 352.522 4.474 20 0 FIADMP c1ccc(COc2ccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000312002697 1119396860 /nfs/dbraw/zinc/39/68/60/1119396860.db2.gz UVKVQPCUEZEZTH-UHFFFAOYSA-N 2 1 350.506 4.025 20 0 FIADMP Brc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000493890880 1119504183 /nfs/dbraw/zinc/50/41/83/1119504183.db2.gz IDHUBLZTLCARLJ-IIIMJFFVSA-N 2 1 363.343 4.302 20 0 FIADMP Brc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC000493890880 1119504190 /nfs/dbraw/zinc/50/41/90/1119504190.db2.gz IDHUBLZTLCARLJ-IIIMJFFVSA-N 2 1 363.343 4.302 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916680 1119506015 /nfs/dbraw/zinc/50/60/15/1119506015.db2.gz MCLNFWTYHCWWTE-RHSMWYFYSA-N 2 1 351.332 4.066 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000182824568 1119560563 /nfs/dbraw/zinc/56/05/63/1119560563.db2.gz ZEXHAYQUWBAIFZ-HOCLYGCPSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@H+]1C ZINC000182824568 1119560565 /nfs/dbraw/zinc/56/05/65/1119560565.db2.gz ZEXHAYQUWBAIFZ-HOCLYGCPSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824568 1119560571 /nfs/dbraw/zinc/56/05/71/1119560571.db2.gz ZEXHAYQUWBAIFZ-HOCLYGCPSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824568 1119560576 /nfs/dbraw/zinc/56/05/76/1119560576.db2.gz ZEXHAYQUWBAIFZ-HOCLYGCPSA-N 2 1 363.958 4.395 20 0 FIADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183183311 1119567615 /nfs/dbraw/zinc/56/76/15/1119567615.db2.gz OBDOUBSSFBSIHD-CMKODMSKSA-N 2 1 360.542 4.015 20 0 FIADMP Cc1c([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000542487487 1119955761 /nfs/dbraw/zinc/95/57/61/1119955761.db2.gz KFDRJADWKIWPRK-IRXDYDNUSA-N 2 1 358.505 4.235 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C[N@H+]1Cc1ccccc1 ZINC000494612394 1119995837 /nfs/dbraw/zinc/99/58/37/1119995837.db2.gz NCIDTDILVVJBHU-OKKOYFSCSA-N 2 1 368.565 4.224 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3sccc3Cl)CC2)cs1 ZINC000193098538 1120099904 /nfs/dbraw/zinc/09/99/04/1120099904.db2.gz YMEHZPWPVWRMQE-UHFFFAOYSA-N 2 1 369.987 4.422 20 0 FIADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000195132579 1120119393 /nfs/dbraw/zinc/11/93/93/1120119393.db2.gz TYQIFNHIGDIPTK-QUCCMNQESA-N 2 1 368.521 4.185 20 0 FIADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000542503161 1120238205 /nfs/dbraw/zinc/23/82/05/1120238205.db2.gz RLHRTXJXWUQLQJ-INIZCTEOSA-N 2 1 356.514 4.160 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169099 1120246708 /nfs/dbraw/zinc/24/67/08/1120246708.db2.gz AFRACIQKOKADJR-MDYRTPRTSA-N 2 1 350.934 4.270 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169099 1120246715 /nfs/dbraw/zinc/24/67/15/1120246715.db2.gz AFRACIQKOKADJR-MDYRTPRTSA-N 2 1 350.934 4.270 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000762078253 1120698920 /nfs/dbraw/zinc/69/89/20/1120698920.db2.gz WZULRLJCYLKCLG-UHFFFAOYSA-N 2 1 354.523 4.499 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000762078253 1120698926 /nfs/dbraw/zinc/69/89/26/1120698926.db2.gz WZULRLJCYLKCLG-UHFFFAOYSA-N 2 1 354.523 4.499 20 0 FIADMP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410137 1120787956 /nfs/dbraw/zinc/78/79/56/1120787956.db2.gz TYPRIYGSCDIKHJ-IRLDBZIGSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410137 1120787960 /nfs/dbraw/zinc/78/79/60/1120787960.db2.gz TYPRIYGSCDIKHJ-IRLDBZIGSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410137 1120787963 /nfs/dbraw/zinc/78/79/63/1120787963.db2.gz TYPRIYGSCDIKHJ-IRLDBZIGSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000495415300 1120793019 /nfs/dbraw/zinc/79/30/19/1120793019.db2.gz OURXFFLZHVTRKJ-ZJOUEHCJSA-N 2 1 351.538 4.314 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495422147 1120799303 /nfs/dbraw/zinc/79/93/03/1120799303.db2.gz YOZQLNHAXMDGHI-DJPFJPOOSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495422147 1120799310 /nfs/dbraw/zinc/79/93/10/1120799310.db2.gz YOZQLNHAXMDGHI-DJPFJPOOSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 ZINC000495431941 1120817270 /nfs/dbraw/zinc/81/72/70/1120817270.db2.gz GALCVQMOGDVRFX-SXWKCWPCSA-N 2 1 374.532 4.434 20 0 FIADMP C[N@H+](Cc1cc(Cl)cc(Br)c1F)CC1CC[NH+](C)CC1 ZINC001234973264 1120827704 /nfs/dbraw/zinc/82/77/04/1120827704.db2.gz GXDIGWSOAZWPFR-UHFFFAOYSA-N 2 1 363.702 4.015 20 0 FIADMP Cc1c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)sc2nc(C)nc(C)c12 ZINC000915223902 1120880928 /nfs/dbraw/zinc/88/09/28/1120880928.db2.gz NRDYKRMHVUBJAE-UHFFFAOYSA-N 2 1 368.550 4.228 20 0 FIADMP Cc1c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)sc2nc(C)nc(C)c12 ZINC000915223902 1120880936 /nfs/dbraw/zinc/88/09/36/1120880936.db2.gz NRDYKRMHVUBJAE-UHFFFAOYSA-N 2 1 368.550 4.228 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000648793054 1120932992 /nfs/dbraw/zinc/93/29/92/1120932992.db2.gz IQJYZGVAUJKFHJ-ZWDAVXSWSA-N 2 1 362.477 4.147 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000237075041 1120973024 /nfs/dbraw/zinc/97/30/24/1120973024.db2.gz NVKHEKJEOARNTI-NRFANRHFSA-N 2 1 374.532 4.030 20 0 FIADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2ccccc2)s1 ZINC000542666115 1121024697 /nfs/dbraw/zinc/02/46/97/1121024697.db2.gz JKNXKKLZWXGSFE-SFHVURJKSA-N 2 1 371.594 4.339 20 0 FIADMP C[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC001649048813 1121316607 /nfs/dbraw/zinc/31/66/07/1121316607.db2.gz ZZQYNTSRPSDYTG-FPOVZHCZSA-N 2 1 374.569 4.235 20 0 FIADMP CC(C)c1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844205 1121383656 /nfs/dbraw/zinc/38/36/56/1121383656.db2.gz SJIVXJDEKOGLDJ-QGZVFWFLSA-N 2 1 356.514 4.098 20 0 FIADMP CC(C)c1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844205 1121383669 /nfs/dbraw/zinc/38/36/69/1121383669.db2.gz SJIVXJDEKOGLDJ-QGZVFWFLSA-N 2 1 356.514 4.098 20 0 FIADMP C/C(=C\c1ccccc1)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000171786955 1121489827 /nfs/dbraw/zinc/48/98/27/1121489827.db2.gz XTUGKBJDONXLMD-GHRIWEEISA-N 2 1 353.510 4.197 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](c4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000123413769 1121510319 /nfs/dbraw/zinc/51/03/19/1121510319.db2.gz WJGPYBRUPCDHJY-NHCUHLMSSA-N 2 1 364.537 4.234 20 0 FIADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccccc1 ZINC000062427122 1121541003 /nfs/dbraw/zinc/54/10/03/1121541003.db2.gz RRGYTBIPYGUMIN-NRFANRHFSA-N 2 1 368.521 4.094 20 0 FIADMP CCCC[N@@H+](C)CC1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000066960618 1121762579 /nfs/dbraw/zinc/76/25/79/1121762579.db2.gz RHWHVXQJPMJFBC-OAHLLOKOSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000066960618 1121762588 /nfs/dbraw/zinc/76/25/88/1121762588.db2.gz RHWHVXQJPMJFBC-OAHLLOKOSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000066960618 1121762599 /nfs/dbraw/zinc/76/25/99/1121762599.db2.gz RHWHVXQJPMJFBC-OAHLLOKOSA-N 2 1 362.543 4.303 20 0 FIADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCc1ccccc1 ZINC000067507252 1121780043 /nfs/dbraw/zinc/78/00/43/1121780043.db2.gz DZXKHAYRWGGXQZ-OAQYLSRUSA-N 2 1 368.521 4.094 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2COc3ccc(F)cc32)CC1 ZINC000671761001 1121793872 /nfs/dbraw/zinc/79/38/72/1121793872.db2.gz XYWLULCRBNWRBP-GZNCHQMQSA-N 2 1 354.469 4.292 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CCCOC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000671764654 1121798060 /nfs/dbraw/zinc/79/80/60/1121798060.db2.gz POEHMTIZTAIABC-POAQFYNOSA-N 2 1 352.950 4.170 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3cc(F)ccc3F)cc2)C1 ZINC000917007717 1121999252 /nfs/dbraw/zinc/99/92/52/1121999252.db2.gz AUISTQCXZGVBRZ-OPAMFIHVSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)cc1 ZINC000917008178 1122000414 /nfs/dbraw/zinc/00/04/14/1122000414.db2.gz GNSWOZCQQZCBSB-OPAMFIHVSA-N 2 1 374.475 4.162 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000127512131 1122108763 /nfs/dbraw/zinc/10/87/63/1122108763.db2.gz WHLNJZCKOWPIFS-JOCHJYFZSA-N 2 1 374.544 4.304 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000765815683 1122123142 /nfs/dbraw/zinc/12/31/42/1122123142.db2.gz KXBQBDZFUCTQQC-VOQZNFBZSA-N 2 1 372.940 4.048 20 0 FIADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000129473627 1122610365 /nfs/dbraw/zinc/61/03/65/1122610365.db2.gz CWUGMMVQUPMBBT-LLVKDONJSA-N 2 1 366.349 4.298 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556060372 1122632617 /nfs/dbraw/zinc/63/26/17/1122632617.db2.gz FSNZSPYATFEQMA-ZEQRLZLVSA-N 2 1 366.549 4.451 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556060372 1122632622 /nfs/dbraw/zinc/63/26/22/1122632622.db2.gz FSNZSPYATFEQMA-ZEQRLZLVSA-N 2 1 366.549 4.451 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094355 1122649164 /nfs/dbraw/zinc/64/91/64/1122649164.db2.gz SGNFWRTXHHFHHN-NJAFHUGGSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094355 1122649166 /nfs/dbraw/zinc/64/91/66/1122649166.db2.gz SGNFWRTXHHFHHN-NJAFHUGGSA-N 2 1 370.459 4.245 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556206149 1122730438 /nfs/dbraw/zinc/73/04/38/1122730438.db2.gz JMVYHEHHVBDSLL-CALCHBBNSA-N 2 1 372.532 4.086 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556206149 1122730442 /nfs/dbraw/zinc/73/04/42/1122730442.db2.gz JMVYHEHHVBDSLL-CALCHBBNSA-N 2 1 372.532 4.086 20 0 FIADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556228604 1122745591 /nfs/dbraw/zinc/74/55/91/1122745591.db2.gz ASYFKCKQUKBQFH-BAGYTPMASA-N 2 1 356.554 4.084 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)cc1 ZINC000131343613 1123043916 /nfs/dbraw/zinc/04/39/16/1123043916.db2.gz DXWNBXHAZFMWCH-MRXNPFEDSA-N 2 1 362.477 4.215 20 0 FIADMP CC(C)(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000498942659 1123094105 /nfs/dbraw/zinc/09/41/05/1123094105.db2.gz MWIDGRKIZOCQBH-RXVVDRJESA-N 2 1 358.526 4.347 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000556872094 1123155609 /nfs/dbraw/zinc/15/56/09/1123155609.db2.gz OKNDDGLKFDNTHU-VLCRHTCISA-N 2 1 353.510 4.017 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000556872094 1123155612 /nfs/dbraw/zinc/15/56/12/1123155612.db2.gz OKNDDGLKFDNTHU-VLCRHTCISA-N 2 1 353.510 4.017 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000514926133 1123157649 /nfs/dbraw/zinc/15/76/49/1123157649.db2.gz XCTLFYXQADZBOM-SSPYTLHUSA-N 2 1 363.549 4.328 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000514926133 1123157652 /nfs/dbraw/zinc/15/76/52/1123157652.db2.gz XCTLFYXQADZBOM-SSPYTLHUSA-N 2 1 363.549 4.328 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499142779 1123285363 /nfs/dbraw/zinc/28/53/63/1123285363.db2.gz QGMCQVMNGJLIRS-WBDAEOGXSA-N 2 1 364.533 4.413 20 0 FIADMP CCc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499173538 1123306296 /nfs/dbraw/zinc/30/62/96/1123306296.db2.gz WJEOSLZANXWEIT-KIHHCIJBSA-N 2 1 364.533 4.068 20 0 FIADMP CCc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499173538 1123306298 /nfs/dbraw/zinc/30/62/98/1123306298.db2.gz WJEOSLZANXWEIT-KIHHCIJBSA-N 2 1 364.533 4.068 20 0 FIADMP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)s2)cc1 ZINC000557013920 1123308622 /nfs/dbraw/zinc/30/86/22/1123308622.db2.gz KZRICRPFQJQPRW-SESVDKBCSA-N 2 1 370.562 4.407 20 0 FIADMP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)s2)cc1 ZINC000557013835 1123308780 /nfs/dbraw/zinc/30/87/80/1123308780.db2.gz KZRICRPFQJQPRW-HLAWJBBLSA-N 2 1 370.562 4.407 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000499221349 1123335449 /nfs/dbraw/zinc/33/54/49/1123335449.db2.gz YVPPHYQGSVHOBB-BIRZXAFVSA-N 2 1 354.538 4.119 20 0 FIADMP COc1c(C)cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000920179431 1123396693 /nfs/dbraw/zinc/39/66/93/1123396693.db2.gz HCUYMRNWUGEVJH-UHFFFAOYSA-N 2 1 352.522 4.375 20 0 FIADMP CCC1CCC([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000236663518 1123545266 /nfs/dbraw/zinc/54/52/66/1123545266.db2.gz PFEKDDHFLPKWQV-UHFFFAOYSA-N 2 1 374.569 4.235 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000245463963 1124041899 /nfs/dbraw/zinc/04/18/99/1124041899.db2.gz PCBORRLRTYOSJR-QKLQHJQFSA-N 2 1 350.572 4.196 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(CO)c1 ZINC000245550402 1124117943 /nfs/dbraw/zinc/11/79/43/1124117943.db2.gz HQXBFIHIFAUJTK-RBUKOAKNSA-N 2 1 352.522 4.404 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(CO)c1 ZINC000245550405 1124117982 /nfs/dbraw/zinc/11/79/82/1124117982.db2.gz HQXBFIHIFAUJTK-RTBURBONSA-N 2 1 352.522 4.404 20 0 FIADMP CC1(C)CC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000245672091 1124183481 /nfs/dbraw/zinc/18/34/81/1124183481.db2.gz HNTJXIHOOPRJLA-ZKTXZKFHSA-N 3 1 355.570 4.081 20 0 FIADMP CC1(C)CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000245672091 1124183485 /nfs/dbraw/zinc/18/34/85/1124183485.db2.gz HNTJXIHOOPRJLA-ZKTXZKFHSA-N 3 1 355.570 4.081 20 0 FIADMP CC1(C)CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000245672091 1124183493 /nfs/dbraw/zinc/18/34/93/1124183493.db2.gz HNTJXIHOOPRJLA-ZKTXZKFHSA-N 3 1 355.570 4.081 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245787508 1124249365 /nfs/dbraw/zinc/24/93/65/1124249365.db2.gz ZTFCWXHYBCZSPS-ADHNFCLRSA-N 3 1 357.586 4.282 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245787508 1124249370 /nfs/dbraw/zinc/24/93/70/1124249370.db2.gz ZTFCWXHYBCZSPS-ADHNFCLRSA-N 2 1 357.586 4.282 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245787511 1124249432 /nfs/dbraw/zinc/24/94/32/1124249432.db2.gz ZTFCWXHYBCZSPS-SNJCGAMXSA-N 3 1 357.586 4.282 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245787511 1124249436 /nfs/dbraw/zinc/24/94/36/1124249436.db2.gz ZTFCWXHYBCZSPS-SNJCGAMXSA-N 2 1 357.586 4.282 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000108428239 1124316694 /nfs/dbraw/zinc/31/66/94/1124316694.db2.gz JYJRFIURESUACV-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP CC[N@H+]1CC[C@H](NCc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000246251789 1124419500 /nfs/dbraw/zinc/41/95/00/1124419500.db2.gz SRDNIMOKXMJJFG-AVRDEDQJSA-N 2 1 365.521 4.067 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000246251789 1124419506 /nfs/dbraw/zinc/41/95/06/1124419506.db2.gz SRDNIMOKXMJJFG-AVRDEDQJSA-N 2 1 365.521 4.067 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847243 1124447468 /nfs/dbraw/zinc/44/74/68/1124447468.db2.gz OTESYAQCXDTKQM-IUKKYPGJSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847243 1124447470 /nfs/dbraw/zinc/44/74/70/1124447470.db2.gz OTESYAQCXDTKQM-IUKKYPGJSA-N 2 1 365.521 4.206 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3n2)cc1 ZINC000156321789 1124577207 /nfs/dbraw/zinc/57/72/07/1124577207.db2.gz RLZQLKUGJZRODB-QGZVFWFLSA-N 2 1 359.477 4.030 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000248433918 1124768044 /nfs/dbraw/zinc/76/80/44/1124768044.db2.gz DMBYCOZJHSQBGW-SIKLNZKXSA-N 2 1 356.485 4.023 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000248437064 1124768415 /nfs/dbraw/zinc/76/84/15/1124768415.db2.gz GTAHHHLIVBMCPU-IERDGZPVSA-N 2 1 358.913 4.148 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248456012 1124772578 /nfs/dbraw/zinc/77/25/78/1124772578.db2.gz RVSIXBIHWINTOM-DENIHFKCSA-N 2 1 374.475 4.018 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2ccccc2c1 ZINC000248459158 1124773253 /nfs/dbraw/zinc/77/32/53/1124773253.db2.gz VMMHKDSPCDHYHF-HOYKHHGWSA-N 2 1 360.501 4.257 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1csc(Cl)c1 ZINC000248694603 1124802250 /nfs/dbraw/zinc/80/22/50/1124802250.db2.gz KMYJSBDABYLXBM-HUUCEWRRSA-N 2 1 364.942 4.473 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1csc(Cl)c1 ZINC000248694603 1124802255 /nfs/dbraw/zinc/80/22/55/1124802255.db2.gz KMYJSBDABYLXBM-HUUCEWRRSA-N 2 1 364.942 4.473 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000542907165 1124824404 /nfs/dbraw/zinc/82/44/04/1124824404.db2.gz QJOLBEWNQVGYQC-NRFANRHFSA-N 2 1 356.485 4.408 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2ccccc2s1 ZINC000249210561 1124850402 /nfs/dbraw/zinc/85/04/02/1124850402.db2.gz XUCAOQDJHDBBGP-OXJNMPFZSA-N 2 1 366.530 4.319 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000249380303 1124855454 /nfs/dbraw/zinc/85/54/54/1124855454.db2.gz QCVZUJFOSXVWKG-CHWSQXEVSA-N 2 1 351.288 4.188 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000249380303 1124855461 /nfs/dbraw/zinc/85/54/61/1124855461.db2.gz QCVZUJFOSXVWKG-CHWSQXEVSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)c1cccc(O)c1 ZINC000111239037 1124881930 /nfs/dbraw/zinc/88/19/30/1124881930.db2.gz CIQQRCAGPRWCLO-FBLDJFESSA-N 2 1 354.494 4.340 20 0 FIADMP C[C@H](c1cccc(O)c1)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000111239037 1124881934 /nfs/dbraw/zinc/88/19/34/1124881934.db2.gz CIQQRCAGPRWCLO-FBLDJFESSA-N 2 1 354.494 4.340 20 0 FIADMP C[C@H](c1cccc(O)c1)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000111239037 1124881941 /nfs/dbraw/zinc/88/19/41/1124881941.db2.gz CIQQRCAGPRWCLO-FBLDJFESSA-N 2 1 354.494 4.340 20 0 FIADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1Cl ZINC000090937250 1125028380 /nfs/dbraw/zinc/02/83/80/1125028380.db2.gz HSAKGGDRMKYXDF-ZDUSSCGKSA-N 2 1 368.308 4.180 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000069754360 1125133764 /nfs/dbraw/zinc/13/37/64/1125133764.db2.gz OUYJWEHWSDQVFQ-UHFFFAOYSA-N 2 1 353.441 4.090 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000182060809 1125227955 /nfs/dbraw/zinc/22/79/55/1125227955.db2.gz RFJPAUHIKYANFI-WDGBRCNXSA-N 2 1 369.553 4.371 20 0 FIADMP Cn1nc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ccccc21 ZINC000602908960 568010762 /nfs/dbraw/zinc/01/07/62/568010762.db2.gz JPPWYSSZOVUNPG-UHFFFAOYSA-N 2 1 362.521 4.239 20 0 FIADMP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1c1cccnc1 ZINC000644835455 568030002 /nfs/dbraw/zinc/03/00/02/568030002.db2.gz CBVWHKHJTFBAOY-QFIPXVFZSA-N 2 1 365.521 4.139 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1c1cccnc1 ZINC000644835455 568030003 /nfs/dbraw/zinc/03/00/03/568030003.db2.gz CBVWHKHJTFBAOY-QFIPXVFZSA-N 2 1 365.521 4.139 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224863 /nfs/dbraw/zinc/22/48/63/568224863.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224864 /nfs/dbraw/zinc/22/48/64/568224864.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224865 /nfs/dbraw/zinc/22/48/65/568224865.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224866 /nfs/dbraw/zinc/22/48/66/568224866.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 3 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224867 /nfs/dbraw/zinc/22/48/67/568224867.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 3 1 355.570 4.038 20 0 FIADMP CC[C@@H](C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000563136707 568270190 /nfs/dbraw/zinc/27/01/90/568270190.db2.gz NHZVWTYOCFQUEL-FPOVZHCZSA-N 2 1 366.553 4.041 20 0 FIADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCCO1 ZINC000432876921 568478484 /nfs/dbraw/zinc/47/84/84/568478484.db2.gz HQXJVOCOEPCXSB-CQSZACIVSA-N 2 1 367.415 4.166 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909648 568533585 /nfs/dbraw/zinc/53/35/85/568533585.db2.gz NOUMSKDDBDWEPD-MAUKXSAKSA-N 2 1 364.942 4.343 20 0 FIADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)c(Cl)s1)CC[NH2+]CC2 ZINC000424388006 1087970116 /nfs/dbraw/zinc/97/01/16/1087970116.db2.gz YVVSOYQQDZATFG-SNVBAGLBSA-N 2 1 363.752 4.128 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000619761477 1125685212 /nfs/dbraw/zinc/68/52/12/1125685212.db2.gz NRSSUUIJKPXNHA-WOJBJXKFSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000619761477 1125685216 /nfs/dbraw/zinc/68/52/16/1125685216.db2.gz NRSSUUIJKPXNHA-WOJBJXKFSA-N 2 1 354.469 4.121 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)cc1 ZINC000121253261 1079592654 /nfs/dbraw/zinc/59/26/54/1079592654.db2.gz LOPAORSGFRGTTB-DOXZYTNZSA-N 2 1 355.507 4.405 20 0 FIADMP COCc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC ZINC000183187213 1125773141 /nfs/dbraw/zinc/77/31/41/1125773141.db2.gz WYVYEGCWLRLGKD-YQVWRLOYSA-N 2 1 360.542 4.145 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000683159352 1079747087 /nfs/dbraw/zinc/74/70/87/1079747087.db2.gz MQFHOZHGQVSVGN-RBBKRZOGSA-N 2 1 364.533 4.054 20 0 FIADMP CC[N@@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC001167063838 1079896784 /nfs/dbraw/zinc/89/67/84/1079896784.db2.gz VBPGXGIKWPGCJQ-VWNXMTODSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC001167063838 1079896798 /nfs/dbraw/zinc/89/67/98/1079896798.db2.gz VBPGXGIKWPGCJQ-VWNXMTODSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC001167063838 1079896810 /nfs/dbraw/zinc/89/68/10/1079896810.db2.gz VBPGXGIKWPGCJQ-VWNXMTODSA-N 2 1 366.549 4.261 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001625795723 1079911248 /nfs/dbraw/zinc/91/12/48/1079911248.db2.gz BBEBEFSKODCHGY-BGYRXZFFSA-N 2 1 373.585 4.016 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001625795723 1079911253 /nfs/dbraw/zinc/91/12/53/1079911253.db2.gz BBEBEFSKODCHGY-BGYRXZFFSA-N 2 1 373.585 4.016 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001625795723 1079911254 /nfs/dbraw/zinc/91/12/54/1079911254.db2.gz BBEBEFSKODCHGY-BGYRXZFFSA-N 2 1 373.585 4.016 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430218226 1080005525 /nfs/dbraw/zinc/00/55/25/1080005525.db2.gz IXMZMDXDUFSIMR-QGZVFWFLSA-N 2 1 366.278 4.320 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430218226 1080005535 /nfs/dbraw/zinc/00/55/35/1080005535.db2.gz IXMZMDXDUFSIMR-QGZVFWFLSA-N 2 1 366.278 4.320 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2C)CC1)CC(C)C ZINC000537998790 1080092927 /nfs/dbraw/zinc/09/29/27/1080092927.db2.gz UIKDXDVIMQOXFK-UHFFFAOYSA-N 2 1 373.585 4.404 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274808427 1080161808 /nfs/dbraw/zinc/16/18/08/1080161808.db2.gz XGECVZSNQFFGFO-QVGHQYEOSA-N 2 1 364.533 4.407 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(c2ccccc2)CC1 ZINC000547743964 1080373407 /nfs/dbraw/zinc/37/34/07/1080373407.db2.gz DBHUTXHPHSIVKV-KGLRWFKISA-N 2 1 356.554 4.144 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000180641763 1080532047 /nfs/dbraw/zinc/53/20/47/1080532047.db2.gz QYFMMWWUCQWJLZ-MBSDFSHPSA-N 2 1 366.549 4.402 20 0 FIADMP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069513 1080581663 /nfs/dbraw/zinc/58/16/63/1080581663.db2.gz UZTIVSBMEHIAJC-WWMYMODYSA-N 2 1 351.494 4.072 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069513 1080581670 /nfs/dbraw/zinc/58/16/70/1080581670.db2.gz UZTIVSBMEHIAJC-WWMYMODYSA-N 2 1 351.494 4.072 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069513 1080581680 /nfs/dbraw/zinc/58/16/80/1080581680.db2.gz UZTIVSBMEHIAJC-WWMYMODYSA-N 2 1 351.494 4.072 20 0 FIADMP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC001648792774 1080625441 /nfs/dbraw/zinc/62/54/41/1080625441.db2.gz UXKGYYZTMNJVNH-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP CN(C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCCCO1 ZINC001167137553 1080676873 /nfs/dbraw/zinc/67/68/73/1080676873.db2.gz AMWNCJCNPFFPEC-BJKOFHAPSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137553 1080676876 /nfs/dbraw/zinc/67/68/76/1080676876.db2.gz AMWNCJCNPFFPEC-BJKOFHAPSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137553 1080676878 /nfs/dbraw/zinc/67/68/78/1080676878.db2.gz AMWNCJCNPFFPEC-BJKOFHAPSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCCCO1 ZINC001167137553 1080676879 /nfs/dbraw/zinc/67/68/79/1080676879.db2.gz AMWNCJCNPFFPEC-BJKOFHAPSA-N 2 1 366.549 4.403 20 0 FIADMP CN(C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCCCO1 ZINC001167137556 1080676981 /nfs/dbraw/zinc/67/69/81/1080676981.db2.gz AMWNCJCNPFFPEC-ZEQRLZLVSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137556 1080676982 /nfs/dbraw/zinc/67/69/82/1080676982.db2.gz AMWNCJCNPFFPEC-ZEQRLZLVSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137556 1080676984 /nfs/dbraw/zinc/67/69/84/1080676984.db2.gz AMWNCJCNPFFPEC-ZEQRLZLVSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCCCO1 ZINC001167137556 1080676988 /nfs/dbraw/zinc/67/69/88/1080676988.db2.gz AMWNCJCNPFFPEC-ZEQRLZLVSA-N 2 1 366.549 4.403 20 0 FIADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cccnc2Cl)cc1 ZINC000160274255 1080742534 /nfs/dbraw/zinc/74/25/34/1080742534.db2.gz UXQXFXWEYDUZDJ-INIZCTEOSA-N 2 1 361.917 4.306 20 0 FIADMP COc1cc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(C)n1 ZINC001648795330 1080792251 /nfs/dbraw/zinc/79/22/51/1080792251.db2.gz NCCIUBWPTJAJAM-SFHVURJKSA-N 2 1 367.537 4.371 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000510225155 1080812036 /nfs/dbraw/zinc/81/20/36/1080812036.db2.gz WLZPONGPZBKNAS-UHFFFAOYSA-N 2 1 367.537 4.222 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000655705178 1081126380 /nfs/dbraw/zinc/12/63/80/1081126380.db2.gz YIKWJUZFMPQBLT-HOCLYGCPSA-N 2 1 371.352 4.330 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655751865 1081169915 /nfs/dbraw/zinc/16/99/15/1081169915.db2.gz KVNJRRMHTIBUAE-GHTZIAJQSA-N 2 1 357.542 4.039 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655751865 1081169917 /nfs/dbraw/zinc/16/99/17/1081169917.db2.gz KVNJRRMHTIBUAE-GHTZIAJQSA-N 2 1 357.542 4.039 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655751867 1081170160 /nfs/dbraw/zinc/17/01/60/1081170160.db2.gz KVNJRRMHTIBUAE-RXVVDRJESA-N 2 1 357.542 4.039 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655751867 1081170162 /nfs/dbraw/zinc/17/01/62/1081170162.db2.gz KVNJRRMHTIBUAE-RXVVDRJESA-N 2 1 357.542 4.039 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000121498245 1081242322 /nfs/dbraw/zinc/24/23/22/1081242322.db2.gz DUQIOJREXKEVCD-RYUDHWBXSA-N 2 1 357.832 4.433 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000121691160 1081248452 /nfs/dbraw/zinc/24/84/52/1081248452.db2.gz DZTSLZPKOYANGD-BSRJHKFKSA-N 2 1 365.521 4.349 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000121691160 1081248455 /nfs/dbraw/zinc/24/84/55/1081248455.db2.gz DZTSLZPKOYANGD-BSRJHKFKSA-N 2 1 365.521 4.349 20 0 FIADMP c1nc(C2CC2)c(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000683774704 1081539554 /nfs/dbraw/zinc/53/95/54/1081539554.db2.gz IVKPMDJKVPSACU-ZCNNSNEGSA-N 2 1 367.562 4.411 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698441 1081595273 /nfs/dbraw/zinc/59/52/73/1081595273.db2.gz RFMYCAXVHFILTL-CTNGQTDRSA-N 2 1 368.521 4.267 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698458 1081595359 /nfs/dbraw/zinc/59/53/59/1081595359.db2.gz RFMYCAXVHFILTL-PZJWPPBQSA-N 2 1 368.521 4.267 20 0 FIADMP C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000255296869 1081792413 /nfs/dbraw/zinc/79/24/13/1081792413.db2.gz CFFRHYKORZJJIS-PLNGDYQASA-N 2 1 369.940 4.387 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000580487371 1081973132 /nfs/dbraw/zinc/97/31/32/1081973132.db2.gz TWSJGFGTWABFFY-BPUTZDHNSA-N 2 1 356.963 4.115 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000580487371 1081973139 /nfs/dbraw/zinc/97/31/39/1081973139.db2.gz TWSJGFGTWABFFY-BPUTZDHNSA-N 2 1 356.963 4.115 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000580501588 1081985254 /nfs/dbraw/zinc/98/52/54/1081985254.db2.gz LYLXFPRDHJTMJB-DENIHFKCSA-N 2 1 352.522 4.132 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312974731 1082109192 /nfs/dbraw/zinc/10/91/92/1082109192.db2.gz KSVRTPXZODJCHA-SVMVAKDDSA-N 2 1 365.521 4.206 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000077417525 1082145191 /nfs/dbraw/zinc/14/51/91/1082145191.db2.gz ANGKWCPAKGPMTA-IBGZPJMESA-N 2 1 374.960 4.022 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000077417525 1082145197 /nfs/dbraw/zinc/14/51/97/1082145197.db2.gz ANGKWCPAKGPMTA-IBGZPJMESA-N 2 1 374.960 4.022 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909613 1082217715 /nfs/dbraw/zinc/21/77/15/1082217715.db2.gz ASSGVENGGZELMO-DENIHFKCSA-N 2 1 355.570 4.209 20 0 FIADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909613 1082217718 /nfs/dbraw/zinc/21/77/18/1082217718.db2.gz ASSGVENGGZELMO-DENIHFKCSA-N 2 1 355.570 4.209 20 0 FIADMP CCCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OCC ZINC000581100614 1082313215 /nfs/dbraw/zinc/31/32/15/1082313215.db2.gz WBEMAOAJCVORKP-FQEVSTJZSA-N 2 1 360.542 4.038 20 0 FIADMP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157571 1082420139 /nfs/dbraw/zinc/42/01/39/1082420139.db2.gz PBBBBICGJHWWHK-QAPCUYQASA-N 2 1 362.439 4.147 20 0 FIADMP CC(C)c1ccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)cc1 ZINC000430556829 1082453696 /nfs/dbraw/zinc/45/36/96/1082453696.db2.gz VMOQRTGRNPDCLV-UHFFFAOYSA-N 2 1 373.566 4.263 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430581506 1082519442 /nfs/dbraw/zinc/51/94/42/1082519442.db2.gz OQWCGICURZOUTO-ABSDTBQOSA-N 2 1 351.494 4.059 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000510422630 1082560712 /nfs/dbraw/zinc/56/07/12/1082560712.db2.gz WXTDEYAQKLDABV-UHFFFAOYSA-N 2 1 353.510 4.489 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000510422630 1082560716 /nfs/dbraw/zinc/56/07/16/1082560716.db2.gz WXTDEYAQKLDABV-UHFFFAOYSA-N 2 1 353.510 4.489 20 0 FIADMP COCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647169279 1082723909 /nfs/dbraw/zinc/72/39/09/1082723909.db2.gz IVTSFJHBMIYTJU-QFIPXVFZSA-N 2 1 350.506 4.120 20 0 FIADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647169279 1082723913 /nfs/dbraw/zinc/72/39/13/1082723913.db2.gz IVTSFJHBMIYTJU-QFIPXVFZSA-N 2 1 350.506 4.120 20 0 FIADMP Fc1ccc(COc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)c(F)c1 ZINC000647169555 1082725607 /nfs/dbraw/zinc/72/56/07/1082725607.db2.gz RRLIUAUAQFOQLU-UHFFFAOYSA-N 2 1 372.459 4.260 20 0 FIADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656784359 1082768810 /nfs/dbraw/zinc/76/88/10/1082768810.db2.gz CPTFGGAWLLLILN-QGZVFWFLSA-N 2 1 359.514 4.161 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cncc(Br)c1 ZINC000581678618 1082794899 /nfs/dbraw/zinc/79/48/99/1082794899.db2.gz VCEHMDLUNXBOEM-HUUCEWRRSA-N 2 1 354.336 4.007 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755900 1082871720 /nfs/dbraw/zinc/87/17/20/1082871720.db2.gz KRLPLTAAIWRVSC-LZNRXBQRSA-N 2 1 370.562 4.179 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755900 1082871726 /nfs/dbraw/zinc/87/17/26/1082871726.db2.gz KRLPLTAAIWRVSC-LZNRXBQRSA-N 2 1 370.562 4.179 20 0 FIADMP C[C@H](N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cnccc1N ZINC000581878666 1082951732 /nfs/dbraw/zinc/95/17/32/1082951732.db2.gz XKZYVJFRALDDPS-YVEFUNNKSA-N 2 1 368.481 4.485 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789732 1082995289 /nfs/dbraw/zinc/99/52/89/1082995289.db2.gz DACVWIHIOBYXFA-YLJYHZDGSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789732 1082995292 /nfs/dbraw/zinc/99/52/92/1082995292.db2.gz DACVWIHIOBYXFA-YLJYHZDGSA-N 2 1 374.475 4.331 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913785 1083037925 /nfs/dbraw/zinc/03/79/25/1083037925.db2.gz AHOUXXJOQASBKY-KBXCAEBGSA-N 2 1 369.347 4.086 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913785 1083037931 /nfs/dbraw/zinc/03/79/31/1083037931.db2.gz AHOUXXJOQASBKY-KBXCAEBGSA-N 2 1 369.347 4.086 20 0 FIADMP C[N@@H+](CCSCc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000430766895 1083160057 /nfs/dbraw/zinc/16/00/57/1083160057.db2.gz ICXATPIJNJNSLB-UHFFFAOYSA-N 2 1 355.551 4.163 20 0 FIADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)o1 ZINC000684509879 1083184344 /nfs/dbraw/zinc/18/43/44/1083184344.db2.gz MOZUABJIEZWJQO-UHFFFAOYSA-N 2 1 363.889 4.089 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000510739277 1083288653 /nfs/dbraw/zinc/28/86/53/1083288653.db2.gz XBLLKBYCOVIBGQ-RCCFBDPRSA-N 2 1 350.934 4.412 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000510755983 1083293953 /nfs/dbraw/zinc/29/39/53/1083293953.db2.gz YBCJJTCTYQCYMR-FVJLSDCUSA-N 2 1 368.512 4.013 20 0 FIADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCc1ccccc1 ZINC000092253310 1083368070 /nfs/dbraw/zinc/36/80/70/1083368070.db2.gz KOWRRIBUXOFNTG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCc1ccccc1 ZINC000092253310 1083368087 /nfs/dbraw/zinc/36/80/87/1083368087.db2.gz KOWRRIBUXOFNTG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCc1ccccc1 ZINC000092253310 1083368098 /nfs/dbraw/zinc/36/80/98/1083368098.db2.gz KOWRRIBUXOFNTG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000092253310 1083368114 /nfs/dbraw/zinc/36/81/14/1083368114.db2.gz KOWRRIBUXOFNTG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320434 1083408530 /nfs/dbraw/zinc/40/85/30/1083408530.db2.gz YDENUTMZUMBHEX-GHTZIAJQSA-N 2 1 350.506 4.345 20 0 FIADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3c(O)cccc23)[C@@H]1c1cccs1 ZINC000684575263 1083457679 /nfs/dbraw/zinc/45/76/79/1083457679.db2.gz GHFPTTIELDHMRQ-JLTOFOAXSA-N 2 1 353.491 4.497 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000510935783 1083510707 /nfs/dbraw/zinc/51/07/07/1083510707.db2.gz TUZYXQGVVUGZBY-OLZOCXBDSA-N 2 1 356.297 4.334 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000510961596 1083540601 /nfs/dbraw/zinc/54/06/01/1083540601.db2.gz MQONKKMKLLIIPZ-HNNXBMFYSA-N 2 1 354.281 4.392 20 0 FIADMP COCCC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000375851694 1083689169 /nfs/dbraw/zinc/68/91/69/1083689169.db2.gz LXPTYGFYOOPTCB-OHSMVPPVSA-N 2 1 350.934 4.065 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000236829034 1083992718 /nfs/dbraw/zinc/99/27/18/1083992718.db2.gz ROZOQRRKWYCYRH-KRWDZBQOSA-N 2 1 368.525 4.019 20 0 FIADMP CSC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1 ZINC000511018426 1084200319 /nfs/dbraw/zinc/20/03/19/1084200319.db2.gz TUUMYTQEDPUXGH-INIZCTEOSA-N 2 1 357.445 4.294 20 0 FIADMP COc1cccc(SCC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167506051 1084205774 /nfs/dbraw/zinc/20/57/74/1084205774.db2.gz XMODYLRFPMIAGV-HXUWFJFHSA-N 2 1 370.562 4.241 20 0 FIADMP COc1cccc(SCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001167506051 1084205780 /nfs/dbraw/zinc/20/57/80/1084205780.db2.gz XMODYLRFPMIAGV-HXUWFJFHSA-N 2 1 370.562 4.241 20 0 FIADMP COc1cccc(SCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001167506051 1084205789 /nfs/dbraw/zinc/20/57/89/1084205789.db2.gz XMODYLRFPMIAGV-HXUWFJFHSA-N 2 1 370.562 4.241 20 0 FIADMP COc1cc2c(cc1F)CC[C@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000511020888 1084213591 /nfs/dbraw/zinc/21/35/91/1084213591.db2.gz YXVQHEFIVHQCSC-JOCHJYFZSA-N 2 1 368.496 4.118 20 0 FIADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000511020888 1084213599 /nfs/dbraw/zinc/21/35/99/1084213599.db2.gz YXVQHEFIVHQCSC-JOCHJYFZSA-N 2 1 368.496 4.118 20 0 FIADMP C[C@H]1C[C@@H](N(C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104696 1084299721 /nfs/dbraw/zinc/29/97/21/1084299721.db2.gz DPNJHZGKJYVWFZ-KBPBESRZSA-N 2 1 353.532 4.010 20 0 FIADMP COCc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000657311608 1084428709 /nfs/dbraw/zinc/42/87/09/1084428709.db2.gz PHZHJBIQNJZSLO-QGZVFWFLSA-N 2 1 358.551 4.416 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000657313728 1084472565 /nfs/dbraw/zinc/47/25/65/1084472565.db2.gz NLPYTNWKCJZUFS-PMACEKPBSA-N 2 1 372.459 4.260 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000657313728 1084472567 /nfs/dbraw/zinc/47/25/67/1084472567.db2.gz NLPYTNWKCJZUFS-PMACEKPBSA-N 2 1 372.459 4.260 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(C)c1 ZINC000414115082 1084603443 /nfs/dbraw/zinc/60/34/43/1084603443.db2.gz MMYCIJGRIITODJ-QGZVFWFLSA-N 2 1 371.525 4.171 20 0 FIADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000657335190 1084612220 /nfs/dbraw/zinc/61/22/20/1084612220.db2.gz MNUCEAOVDIFLMG-ZDUSSCGKSA-N 2 1 351.288 4.015 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000657335190 1084612225 /nfs/dbraw/zinc/61/22/25/1084612225.db2.gz MNUCEAOVDIFLMG-ZDUSSCGKSA-N 2 1 351.288 4.015 20 0 FIADMP O[C@@]1(C[N@@H+]2CCCC3(C2)CCCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167548661 1084642835 /nfs/dbraw/zinc/64/28/35/1084642835.db2.gz DVMBKWRKCWNYKJ-QHCPKHFHSA-N 2 1 356.554 4.060 20 0 FIADMP O[C@@]1(C[N@H+]2CCCC3(C2)CCCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167548661 1084642838 /nfs/dbraw/zinc/64/28/38/1084642838.db2.gz DVMBKWRKCWNYKJ-QHCPKHFHSA-N 2 1 356.554 4.060 20 0 FIADMP O[C@@]1(C[NH+]2CCCC3(C2)CCCCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001167548661 1084642844 /nfs/dbraw/zinc/64/28/44/1084642844.db2.gz DVMBKWRKCWNYKJ-QHCPKHFHSA-N 2 1 356.554 4.060 20 0 FIADMP O[C@@]1(C[NH+]2CCCC3(C2)CCCCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001167548661 1084642850 /nfs/dbraw/zinc/64/28/50/1084642850.db2.gz DVMBKWRKCWNYKJ-QHCPKHFHSA-N 2 1 356.554 4.060 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4ccc(C)cc4[nH]3)CC2)oc1C ZINC000657371280 1084782786 /nfs/dbraw/zinc/78/27/86/1084782786.db2.gz PSQPVAVCDATCSW-UHFFFAOYSA-N 2 1 366.509 4.083 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000548712096 1084792695 /nfs/dbraw/zinc/79/26/95/1084792695.db2.gz SJZUKOCZNGLQHV-BAGYTPMASA-N 2 1 369.578 4.274 20 0 FIADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000657373940 1084794663 /nfs/dbraw/zinc/79/46/63/1084794663.db2.gz AZDUGIDHGSKEMT-CRAIPNDOSA-N 2 1 350.553 4.129 20 0 FIADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000657373940 1084794673 /nfs/dbraw/zinc/79/46/73/1084794673.db2.gz AZDUGIDHGSKEMT-CRAIPNDOSA-N 2 1 350.553 4.129 20 0 FIADMP Fc1cccc(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001167559094 1084818354 /nfs/dbraw/zinc/81/83/54/1084818354.db2.gz XGAOFVILMYMYET-QHCPKHFHSA-N 2 1 352.497 4.356 20 0 FIADMP Fc1cccc(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC001167559094 1084818365 /nfs/dbraw/zinc/81/83/65/1084818365.db2.gz XGAOFVILMYMYET-QHCPKHFHSA-N 2 1 352.497 4.356 20 0 FIADMP Fc1cccc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001167559094 1084818370 /nfs/dbraw/zinc/81/83/70/1084818370.db2.gz XGAOFVILMYMYET-QHCPKHFHSA-N 2 1 352.497 4.356 20 0 FIADMP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000158160388 1084928974 /nfs/dbraw/zinc/92/89/74/1084928974.db2.gz IBVHCQJHTOVXGA-OYRHEFFESA-N 2 1 370.545 4.057 20 0 FIADMP c1n[nH]cc1[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000158160388 1084928978 /nfs/dbraw/zinc/92/89/78/1084928978.db2.gz IBVHCQJHTOVXGA-OYRHEFFESA-N 2 1 370.545 4.057 20 0 FIADMP c1n[nH]cc1[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000158160388 1084928982 /nfs/dbraw/zinc/92/89/82/1084928982.db2.gz IBVHCQJHTOVXGA-OYRHEFFESA-N 2 1 370.545 4.057 20 0 FIADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1C(F)(F)F ZINC000582414743 1084978489 /nfs/dbraw/zinc/97/84/89/1084978489.db2.gz FDKCZNDNELPPMU-LBPRGKRZSA-N 2 1 353.388 4.011 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCc3c[nH+]cn3C)s2)cc1 ZINC000563352218 1084984007 /nfs/dbraw/zinc/98/40/07/1084984007.db2.gz BBCYCRLVNDOYOH-CQSZACIVSA-N 2 1 370.522 4.144 20 0 FIADMP Cc1cccc(N2CCC([NH2+]CCCc3c(F)cccc3Cl)CC2)[nH+]1 ZINC000472585869 1085051522 /nfs/dbraw/zinc/05/15/22/1085051522.db2.gz LIZCZPQSGCGDEB-UHFFFAOYSA-N 2 1 361.892 4.374 20 0 FIADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486514 1085063253 /nfs/dbraw/zinc/06/32/53/1085063253.db2.gz MMTBVBQFADEVRA-RTWAWAEBSA-N 2 1 368.521 4.014 20 0 FIADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486514 1085063260 /nfs/dbraw/zinc/06/32/60/1085063260.db2.gz MMTBVBQFADEVRA-RTWAWAEBSA-N 2 1 368.521 4.014 20 0 FIADMP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000582577925 1085185772 /nfs/dbraw/zinc/18/57/72/1085185772.db2.gz FKVJNRAJCMCGMQ-SIKLNZKXSA-N 2 1 361.618 4.107 20 0 FIADMP CC1=C[C@H](C)C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577925 1085185779 /nfs/dbraw/zinc/18/57/79/1085185779.db2.gz FKVJNRAJCMCGMQ-SIKLNZKXSA-N 3 1 361.618 4.107 20 0 FIADMP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577925 1085185786 /nfs/dbraw/zinc/18/57/86/1085185786.db2.gz FKVJNRAJCMCGMQ-SIKLNZKXSA-N 3 1 361.618 4.107 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167589958 1085248302 /nfs/dbraw/zinc/24/83/02/1085248302.db2.gz KZHNGQVLPGPAHZ-MOPGFXCFSA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167589958 1085248311 /nfs/dbraw/zinc/24/83/11/1085248311.db2.gz KZHNGQVLPGPAHZ-MOPGFXCFSA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167589958 1085248320 /nfs/dbraw/zinc/24/83/20/1085248320.db2.gz KZHNGQVLPGPAHZ-MOPGFXCFSA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000660833680 1085285527 /nfs/dbraw/zinc/28/55/27/1085285527.db2.gz HRAKZDKABSWOBO-FYYLOGMGSA-N 2 1 369.597 4.062 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684954693 1085299460 /nfs/dbraw/zinc/29/94/60/1085299460.db2.gz CRLMXRLSXFZDRM-GCJKJVERSA-N 2 1 368.496 4.323 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCCc5cccnc54)[C@@H]3C2)cc1 ZINC000684960969 1085324675 /nfs/dbraw/zinc/32/46/75/1085324675.db2.gz DOCPKJVLMMAVQK-GSPCLOLRSA-N 2 1 361.533 4.349 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000582681514 1085368055 /nfs/dbraw/zinc/36/80/55/1085368055.db2.gz YIWUAVMEGBNDOG-BQFCYCMXSA-N 2 1 373.928 4.305 20 0 FIADMP Fc1cc(Br)ccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000066876470 1085495926 /nfs/dbraw/zinc/49/59/26/1085495926.db2.gz QYUNPFIJJFCSQV-UHFFFAOYSA-N 2 1 360.230 4.064 20 0 FIADMP c1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)oc1-c1ccccc1 ZINC000045806755 1085595194 /nfs/dbraw/zinc/59/51/94/1085595194.db2.gz PDUUILFLUXWMAJ-UHFFFAOYSA-N 2 1 353.510 4.430 20 0 FIADMP C[NH+](C)C[C@H]1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)C1 ZINC000549556730 1085704672 /nfs/dbraw/zinc/70/46/72/1085704672.db2.gz SGQREPAXIAUROU-CYBMUJFWSA-N 2 1 374.326 4.263 20 0 FIADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1csc(Cl)c1Cl ZINC000432231018 1085798913 /nfs/dbraw/zinc/79/89/13/1085798913.db2.gz FYXHOGWDUSQJPO-UHFFFAOYSA-N 2 1 359.322 4.285 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000153683914 1086047352 /nfs/dbraw/zinc/04/73/52/1086047352.db2.gz PVBNOOHNDYZMOU-AWEZNQCLSA-N 2 1 366.440 4.129 20 0 FIADMP FC(F)(F)C[C@H]1CC[N@@H+](CCCC[NH+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000583063574 1086130823 /nfs/dbraw/zinc/13/08/23/1086130823.db2.gz AXECKMVWUJXTNF-OKILXGFUSA-N 2 1 360.386 4.315 20 0 FIADMP FC(F)(F)C[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000583063574 1086130841 /nfs/dbraw/zinc/13/08/41/1086130841.db2.gz AXECKMVWUJXTNF-OKILXGFUSA-N 2 1 360.386 4.315 20 0 FIADMP FC(F)(F)C[C@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000583063574 1086130849 /nfs/dbraw/zinc/13/08/49/1086130849.db2.gz AXECKMVWUJXTNF-OKILXGFUSA-N 2 1 360.386 4.315 20 0 FIADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000428271640 1086189898 /nfs/dbraw/zinc/18/98/98/1086189898.db2.gz ONRSKOYFJRMIMC-MRXNPFEDSA-N 2 1 368.506 4.014 20 0 FIADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000428271640 1086189903 /nfs/dbraw/zinc/18/99/03/1086189903.db2.gz ONRSKOYFJRMIMC-MRXNPFEDSA-N 2 1 368.506 4.014 20 0 FIADMP Cc1nccn1CC[N@@H+](Cc1ccccc1Br)CC(C)C ZINC001167653857 1086241163 /nfs/dbraw/zinc/24/11/63/1086241163.db2.gz SYHXAHGGRPCJBK-UHFFFAOYSA-N 2 1 350.304 4.112 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1Br)CC(C)C ZINC001167653857 1086241197 /nfs/dbraw/zinc/24/11/97/1086241197.db2.gz SYHXAHGGRPCJBK-UHFFFAOYSA-N 2 1 350.304 4.112 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000123829876 1086315801 /nfs/dbraw/zinc/31/58/01/1086315801.db2.gz SQURKWFUMRVMPP-UHFFFAOYSA-N 2 1 366.509 4.140 20 0 FIADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294431 1086399905 /nfs/dbraw/zinc/39/99/05/1086399905.db2.gz WCAYOPFXMOTFLK-GDBMZVCRSA-N 2 1 362.468 4.204 20 0 FIADMP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662295988 1086401475 /nfs/dbraw/zinc/40/14/75/1086401475.db2.gz JPTDAFQCXQCXPM-QGZVFWFLSA-N 2 1 359.901 4.207 20 0 FIADMP c1c2ccccc2oc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326793 1086418575 /nfs/dbraw/zinc/41/85/75/1086418575.db2.gz CCROVWALCQHAQE-UHFFFAOYSA-N 2 1 364.493 4.003 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290504 1086530038 /nfs/dbraw/zinc/53/00/38/1086530038.db2.gz ZOYHWNOSWSGQQH-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290504 1086530044 /nfs/dbraw/zinc/53/00/44/1086530044.db2.gz ZOYHWNOSWSGQQH-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)CC2)[nH+]1 ZINC000467741640 1086531425 /nfs/dbraw/zinc/53/14/25/1086531425.db2.gz KYLSIMFJJCXNKU-LBPRGKRZSA-N 2 1 370.444 4.185 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Br)cs1 ZINC000663465831 1086565309 /nfs/dbraw/zinc/56/53/09/1086565309.db2.gz LRVLCSPCXWZJRZ-JSGCOSHPSA-N 2 1 357.361 4.283 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2c(F)cccc2Cl)s1 ZINC000512004092 1086631213 /nfs/dbraw/zinc/63/12/13/1086631213.db2.gz CFNQDPJATXPQLO-UHFFFAOYSA-N 2 1 355.910 4.065 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2ccc(F)cc2Cl)s1 ZINC000512013661 1086645969 /nfs/dbraw/zinc/64/59/69/1086645969.db2.gz DKQXSRISXUREES-UHFFFAOYSA-N 2 1 355.910 4.065 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167834826 1086690086 /nfs/dbraw/zinc/69/00/86/1086690086.db2.gz NAYQAPAUOKBXST-RTBURBONSA-N 2 1 369.594 4.217 20 0 FIADMP COc1cccc(OC)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044820 1086699303 /nfs/dbraw/zinc/69/93/03/1086699303.db2.gz ICOXYVGPPOBXJR-AZUAARDMSA-N 2 1 368.521 4.094 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC001167836788 1086708701 /nfs/dbraw/zinc/70/87/01/1086708701.db2.gz HGPWOUREBQWXIQ-HNNXBMFYSA-N 2 1 353.348 4.318 20 0 FIADMP COc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059318 1086717732 /nfs/dbraw/zinc/71/77/32/1086717732.db2.gz YPEZMNCPXPQBSV-VQIMIIECSA-N 2 1 351.494 4.005 20 0 FIADMP COc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059318 1086717739 /nfs/dbraw/zinc/71/77/39/1086717739.db2.gz YPEZMNCPXPQBSV-VQIMIIECSA-N 2 1 351.494 4.005 20 0 FIADMP Cc1ccc([C@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432409655 1086731168 /nfs/dbraw/zinc/73/11/68/1086731168.db2.gz HUFKTFOPZPZIEB-NFBKMPQASA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432409655 1086731170 /nfs/dbraw/zinc/73/11/70/1086731170.db2.gz HUFKTFOPZPZIEB-NFBKMPQASA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432409655 1086731176 /nfs/dbraw/zinc/73/11/76/1086731176.db2.gz HUFKTFOPZPZIEB-NFBKMPQASA-N 2 1 352.522 4.175 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432419842 1086745133 /nfs/dbraw/zinc/74/51/33/1086745133.db2.gz GLNMFNLPDAVHMJ-UHFFFAOYSA-N 2 1 362.315 4.270 20 0 FIADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419915 1086745851 /nfs/dbraw/zinc/74/58/51/1086745851.db2.gz HEDWYOOKQKCZPX-HUUCEWRRSA-N 2 1 359.341 4.015 20 0 FIADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419915 1086745859 /nfs/dbraw/zinc/74/58/59/1086745859.db2.gz HEDWYOOKQKCZPX-HUUCEWRRSA-N 2 1 359.341 4.015 20 0 FIADMP Clc1ccccc1C1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000512086193 1086750516 /nfs/dbraw/zinc/75/05/16/1086750516.db2.gz BQLKQUIHXCBJDY-UHFFFAOYSA-N 2 1 362.945 4.211 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000650706067 1086754587 /nfs/dbraw/zinc/75/45/87/1086754587.db2.gz CRWIZOJVOJNHGT-SQGPQFPESA-N 2 1 374.525 4.273 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(F)c3)CCCCC2)s1 ZINC000512088294 1086755750 /nfs/dbraw/zinc/75/57/50/1086755750.db2.gz OEOMHRCFKMDRGW-UHFFFAOYSA-N 2 1 361.530 4.336 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428242 1086756736 /nfs/dbraw/zinc/75/67/36/1086756736.db2.gz JEVBUPPNNJDJQT-ZXDFIECXSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428242 1086756740 /nfs/dbraw/zinc/75/67/40/1086756740.db2.gz JEVBUPPNNJDJQT-ZXDFIECXSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512131296 1086799516 /nfs/dbraw/zinc/79/95/16/1086799516.db2.gz ONVYLDYSBAOVQW-MRXNPFEDSA-N 2 1 358.555 4.191 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512131296 1086799520 /nfs/dbraw/zinc/79/95/20/1086799520.db2.gz ONVYLDYSBAOVQW-MRXNPFEDSA-N 2 1 358.555 4.191 20 0 FIADMP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000512135416 1086813628 /nfs/dbraw/zinc/81/36/28/1086813628.db2.gz JYGATWGJJDFPOJ-WWPOYFSUSA-N 2 1 356.460 4.132 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000650723010 1086822275 /nfs/dbraw/zinc/82/22/75/1086822275.db2.gz GFEKJMSDILSTOL-YZGWKJHDSA-N 2 1 374.525 4.415 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000512178740 1086896957 /nfs/dbraw/zinc/89/69/57/1086896957.db2.gz JPDWGJXGPQBALH-LJQANCHMSA-N 2 1 352.526 4.021 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000512178740 1086896971 /nfs/dbraw/zinc/89/69/71/1086896971.db2.gz JPDWGJXGPQBALH-LJQANCHMSA-N 2 1 352.526 4.021 20 0 FIADMP c1onc(Cc2ccccc2)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000583766467 1086951989 /nfs/dbraw/zinc/95/19/89/1086951989.db2.gz LZWDAFYQAUSFCB-UHFFFAOYSA-N 2 1 361.489 4.151 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1 ZINC000151334891 1087089728 /nfs/dbraw/zinc/08/97/28/1087089728.db2.gz ZWTSWLYSDTYPBJ-SFHVURJKSA-N 2 1 371.488 4.276 20 0 FIADMP FC(F)COc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000089543568 1087395440 /nfs/dbraw/zinc/39/54/40/1087395440.db2.gz IDHOEVAKQJFOTD-UHFFFAOYSA-N 2 1 374.475 4.127 20 0 FIADMP C[NH+](C)Cc1cccc(NC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000091629698 1087432342 /nfs/dbraw/zinc/43/23/42/1087432342.db2.gz NHZSUINYRKBCRW-UHFFFAOYSA-N 2 1 366.509 4.029 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)cc1F ZINC000178625448 1087557203 /nfs/dbraw/zinc/55/72/03/1087557203.db2.gz VESWBOCHLGJOBV-AWEZNQCLSA-N 2 1 351.425 4.106 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ncccc1C(F)(F)F ZINC000685456685 1087572542 /nfs/dbraw/zinc/57/25/42/1087572542.db2.gz GKFHPKIHQPDYQL-UHFFFAOYSA-N 2 1 351.416 4.184 20 0 FIADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685462172 1087575056 /nfs/dbraw/zinc/57/50/56/1087575056.db2.gz OQDDUGPYXSDXPQ-UHFFFAOYSA-N 2 1 367.468 4.432 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685462172 1087575058 /nfs/dbraw/zinc/57/50/58/1087575058.db2.gz OQDDUGPYXSDXPQ-UHFFFAOYSA-N 2 1 367.468 4.432 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685462172 1087575061 /nfs/dbraw/zinc/57/50/61/1087575061.db2.gz OQDDUGPYXSDXPQ-UHFFFAOYSA-N 2 1 367.468 4.432 20 0 FIADMP CN1CCC([N@H+](Cc2ccccc2)C[C@H]2CCOc3ccccc32)CC1 ZINC000685467819 1087577542 /nfs/dbraw/zinc/57/75/42/1087577542.db2.gz BVBLFNYPEOYDEB-HXUWFJFHSA-N 2 1 350.506 4.149 20 0 FIADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@H]2CCOc3ccccc32)CC1 ZINC000685467819 1087577543 /nfs/dbraw/zinc/57/75/43/1087577543.db2.gz BVBLFNYPEOYDEB-HXUWFJFHSA-N 2 1 350.506 4.149 20 0 FIADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@H]2CCOc3ccccc32)CC1 ZINC000685467819 1087577544 /nfs/dbraw/zinc/57/75/44/1087577544.db2.gz BVBLFNYPEOYDEB-HXUWFJFHSA-N 2 1 350.506 4.149 20 0 FIADMP CCCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062426528 1087599163 /nfs/dbraw/zinc/59/91/63/1087599163.db2.gz QBRUVNXVZUWDLT-JOCHJYFZSA-N 2 1 352.522 4.477 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1)C(C)C ZINC000511309366 1087630953 /nfs/dbraw/zinc/63/09/53/1087630953.db2.gz XVOWDUKDZUGUGM-UHFFFAOYSA-N 2 1 353.510 4.231 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000685602035 1087638958 /nfs/dbraw/zinc/63/89/58/1087638958.db2.gz UYOZMMCAMSNDMV-KRWDZBQOSA-N 2 1 353.432 4.457 20 0 FIADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)c(Cl)c1 ZINC000658028395 1087698868 /nfs/dbraw/zinc/69/88/68/1087698868.db2.gz DHQWBBNMSMDJSK-NDNKKMJESA-N 2 1 357.723 4.378 20 0 FIADMP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029154 1087698886 /nfs/dbraw/zinc/69/88/86/1087698886.db2.gz HCBPZHAAFRNVDM-XVLXNVKGSA-N 2 1 365.359 4.231 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCc2noc4ccccc24)C3)cc1 ZINC000658064670 1087705518 /nfs/dbraw/zinc/70/55/18/1087705518.db2.gz FZCDLLMTKDWROW-OWZKRDHZSA-N 2 1 361.489 4.156 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658138003 1087741147 /nfs/dbraw/zinc/74/11/47/1087741147.db2.gz LNTGYYCPKXADNE-UWJYYQICSA-N 2 1 370.562 4.216 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1 ZINC000658138840 1087744203 /nfs/dbraw/zinc/74/42/03/1087744203.db2.gz OMSFQUPWHMWBDE-FGZHOGPDSA-N 2 1 372.940 4.394 20 0 FIADMP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(OC)c1 ZINC000658165954 1087760016 /nfs/dbraw/zinc/76/00/16/1087760016.db2.gz TWWLLEFESBKBLX-OPAMFIHVSA-N 2 1 365.477 4.228 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccccc2-c2ccccc2)CC1 ZINC000472588063 1087870717 /nfs/dbraw/zinc/87/07/17/1087870717.db2.gz CGBYAVXNXCHJBF-UHFFFAOYSA-N 2 1 365.565 4.202 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H](C)C3)C[C@H]2C1 ZINC000424269636 1087890813 /nfs/dbraw/zinc/89/08/13/1087890813.db2.gz PLAIFVIPFKORQO-KJWUJUMESA-N 2 1 356.554 4.212 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000424334188 1087926461 /nfs/dbraw/zinc/92/64/61/1087926461.db2.gz WNNRNTYDLOHUPJ-RTBURBONSA-N 2 1 360.542 4.170 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000424334188 1087926469 /nfs/dbraw/zinc/92/64/69/1087926469.db2.gz WNNRNTYDLOHUPJ-RTBURBONSA-N 2 1 360.542 4.170 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000424334176 1087926632 /nfs/dbraw/zinc/92/66/32/1087926632.db2.gz WNNRNTYDLOHUPJ-MOPGFXCFSA-N 2 1 360.542 4.170 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000424334176 1087926637 /nfs/dbraw/zinc/92/66/37/1087926637.db2.gz WNNRNTYDLOHUPJ-MOPGFXCFSA-N 2 1 360.542 4.170 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000424334181 1087926684 /nfs/dbraw/zinc/92/66/84/1087926684.db2.gz WNNRNTYDLOHUPJ-RBUKOAKNSA-N 2 1 360.542 4.170 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000424334181 1087926687 /nfs/dbraw/zinc/92/66/87/1087926687.db2.gz WNNRNTYDLOHUPJ-RBUKOAKNSA-N 2 1 360.542 4.170 20 0 FIADMP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Br)c(Cl)s1)CC[NH2+]CC2 ZINC000424388006 1087970112 /nfs/dbraw/zinc/97/01/12/1087970112.db2.gz YVVSOYQQDZATFG-SNVBAGLBSA-N 2 1 363.752 4.128 20 0 FIADMP [NH3+]Cc1nn(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c2ccccc12 ZINC001167701010 1087992639 /nfs/dbraw/zinc/99/26/39/1087992639.db2.gz KVIWVLXTJNNMDA-UHFFFAOYSA-N 2 1 354.457 4.000 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544254 1088031666 /nfs/dbraw/zinc/03/16/66/1088031666.db2.gz YODNSZYZKYNGFE-WOJBJXKFSA-N 2 1 353.485 4.099 20 0 FIADMP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889426 1088039488 /nfs/dbraw/zinc/03/94/88/1088039488.db2.gz QAUZRHOOEOTUJL-LJQANCHMSA-N 2 1 371.569 4.164 20 0 FIADMP COc1cc2c(NCc3cc(C)[nH+]c(N4CCCC4)c3)cc[nH+]c2cc1F ZINC000685924006 1088044666 /nfs/dbraw/zinc/04/46/66/1088044666.db2.gz GYTIJSCRTSJVAO-UHFFFAOYSA-N 2 1 366.440 4.298 20 0 FIADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000057889712 1088048788 /nfs/dbraw/zinc/04/87/88/1088048788.db2.gz FBZPAJDESQENSI-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000311427426 1088376912 /nfs/dbraw/zinc/37/69/12/1088376912.db2.gz GFMNDPZIAUVGNT-HKUYNNGSSA-N 2 1 356.485 4.397 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000311246582 1088445061 /nfs/dbraw/zinc/44/50/61/1088445061.db2.gz LBIUCCRDIPBNAI-IBGZPJMESA-N 2 1 359.514 4.095 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233748 1088524421 /nfs/dbraw/zinc/52/44/21/1088524421.db2.gz WHAGKSMAAXRLNI-DLBZAZTESA-N 2 1 356.535 4.246 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233748 1088524436 /nfs/dbraw/zinc/52/44/36/1088524436.db2.gz WHAGKSMAAXRLNI-DLBZAZTESA-N 2 1 356.535 4.246 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581926 1088535639 /nfs/dbraw/zinc/53/56/39/1088535639.db2.gz DAOAAVIRGRSYHA-PKOBYXMFSA-N 2 1 356.485 4.397 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581926 1088535652 /nfs/dbraw/zinc/53/56/52/1088535652.db2.gz DAOAAVIRGRSYHA-PKOBYXMFSA-N 2 1 356.485 4.397 20 0 FIADMP C[C@@H](CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OCc1ccccc1 ZINC000434671501 1088937145 /nfs/dbraw/zinc/93/71/45/1088937145.db2.gz UZIIKZHAMJXROW-IBGZPJMESA-N 2 1 367.537 4.394 20 0 FIADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000189018409 1089033068 /nfs/dbraw/zinc/03/30/68/1089033068.db2.gz XGCXKOFLKQHLAS-HQNXYIODSA-N 2 1 369.597 4.062 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059370 1089094950 /nfs/dbraw/zinc/09/49/50/1089094950.db2.gz WTXIQLRFNYGQDB-IRLDBZIGSA-N 2 1 350.506 4.326 20 0 FIADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CCCC1 ZINC000415062244 1089110715 /nfs/dbraw/zinc/11/07/15/1089110715.db2.gz FAVGQPANJYZNRT-HXUWFJFHSA-N 2 1 371.912 4.199 20 0 FIADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC[NH2+]2)cc1 ZINC000415074724 1089127297 /nfs/dbraw/zinc/12/72/97/1089127297.db2.gz AQTZQLVSYDZICU-YADHBBJMSA-N 2 1 364.537 4.045 20 0 FIADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415090489 1089142546 /nfs/dbraw/zinc/14/25/46/1089142546.db2.gz OZTYXCHRWYLRJZ-OALUTQOASA-N 2 1 359.311 4.340 20 0 FIADMP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415090490 1089142838 /nfs/dbraw/zinc/14/28/38/1089142838.db2.gz OZTYXCHRWYLRJZ-RBUKOAKNSA-N 2 1 359.311 4.340 20 0 FIADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415087328 1089144998 /nfs/dbraw/zinc/14/49/98/1089144998.db2.gz VZVBTVVYAPICLB-UXHICEINSA-N 2 1 368.521 4.064 20 0 FIADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc5c(c4)CCO5)C3)CC2)cc1 ZINC000580296229 1089185336 /nfs/dbraw/zinc/18/53/36/1089185336.db2.gz LBZPMLVVWSEDFB-UHFFFAOYSA-N 2 1 362.517 4.110 20 0 FIADMP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c2cc(OC(F)F)ccc2[nH+]1 ZINC000549192963 1089185659 /nfs/dbraw/zinc/18/56/59/1089185659.db2.gz OOFBYRVOPCBCHC-HXUWFJFHSA-N 2 1 361.436 4.067 20 0 FIADMP CCCOc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435057798 1089244760 /nfs/dbraw/zinc/24/47/60/1089244760.db2.gz COKRLWPOANYDOL-UHFFFAOYSA-N 2 1 353.510 4.388 20 0 FIADMP Fc1ccc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)[nH]c2c1 ZINC000435057801 1089245301 /nfs/dbraw/zinc/24/53/01/1089245301.db2.gz LDFYWPXZSIQWDM-UHFFFAOYSA-N 2 1 352.457 4.219 20 0 FIADMP c1[nH+]c(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)n2c1CCCC2 ZINC000435061949 1089252314 /nfs/dbraw/zinc/25/23/14/1089252314.db2.gz VTAJVTDFNCVOOG-UHFFFAOYSA-N 2 1 365.521 4.388 20 0 FIADMP C[C@@H](Cn1cccn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549225484 1089283183 /nfs/dbraw/zinc/28/31/83/1089283183.db2.gz NDRWILFPEZIUJX-ZBUUHCTJSA-N 2 1 372.944 4.129 20 0 FIADMP C[C@H](Cn1cccn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549225482 1089283887 /nfs/dbraw/zinc/28/38/87/1089283887.db2.gz NDRWILFPEZIUJX-BDWVSVIHSA-N 2 1 372.944 4.129 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125089 1089306192 /nfs/dbraw/zinc/30/61/92/1089306192.db2.gz UVPKUSSOUXDQHK-QGZVFWFLSA-N 2 1 356.514 4.146 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1)CC1CC1 ZINC000435126180 1089307542 /nfs/dbraw/zinc/30/75/42/1089307542.db2.gz JZYSVKVGJOOTCA-UHFFFAOYSA-N 2 1 356.514 4.004 20 0 FIADMP Cc1nc2ccccn2c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000514744537 1089420971 /nfs/dbraw/zinc/42/09/71/1089420971.db2.gz CNELJYDTHCIKEW-SFHVURJKSA-N 2 1 354.542 4.119 20 0 FIADMP c1ccc(C[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435389300 1089594960 /nfs/dbraw/zinc/59/49/60/1089594960.db2.gz JVKXZQTXYRKVIQ-QHCPKHFHSA-N 2 1 372.516 4.288 20 0 FIADMP c1ccc(C[N@H+](Cc2cccc(-c3ccccn3)c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435389300 1089594975 /nfs/dbraw/zinc/59/49/75/1089594975.db2.gz JVKXZQTXYRKVIQ-QHCPKHFHSA-N 2 1 372.516 4.288 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000893094548 1089859459 /nfs/dbraw/zinc/85/94/59/1089859459.db2.gz LOZBTCRZANKGIH-UONOGXRCSA-N 2 1 353.532 4.058 20 0 FIADMP CCO[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C12CCC2 ZINC000179955862 1090135776 /nfs/dbraw/zinc/13/57/76/1090135776.db2.gz OYFMLYYHBBRZIH-VXKWHMMOSA-N 2 1 371.569 4.224 20 0 FIADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000416227022 1090267185 /nfs/dbraw/zinc/26/71/85/1090267185.db2.gz ONGINFDGOORIIH-LJQANCHMSA-N 2 1 359.901 4.033 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312366431 1090626820 /nfs/dbraw/zinc/62/68/20/1090626820.db2.gz ADSRSPXZJDBOSG-MBSDFSHPSA-N 2 1 368.521 4.267 20 0 FIADMP CCCC1CCC([N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)CC1 ZINC000511599849 1090653362 /nfs/dbraw/zinc/65/33/62/1090653362.db2.gz SJUFCURWIDRUCV-UHFFFAOYSA-N 2 1 365.606 4.045 20 0 FIADMP CCn1cncc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000418042485 1091036063 /nfs/dbraw/zinc/03/60/63/1091036063.db2.gz LSWJHIYQQQKOKC-ZJVRTDGDSA-N 2 1 372.944 4.260 20 0 FIADMP C[NH+]1CCC(CC[N@@H+]2CC=C(c3ccc(Br)cc3)CC2)CC1 ZINC001207488894 1091038220 /nfs/dbraw/zinc/03/82/20/1091038220.db2.gz RYRXQZSMQODEHH-UHFFFAOYSA-N 2 1 363.343 4.270 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001167752156 1091159561 /nfs/dbraw/zinc/15/95/61/1091159561.db2.gz QKDVRLZJWULBAV-QUCCMNQESA-N 2 1 369.557 4.027 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167752156 1091159568 /nfs/dbraw/zinc/15/95/68/1091159568.db2.gz QKDVRLZJWULBAV-QUCCMNQESA-N 3 1 369.557 4.027 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167752156 1091159571 /nfs/dbraw/zinc/15/95/71/1091159571.db2.gz QKDVRLZJWULBAV-QUCCMNQESA-N 3 1 369.557 4.027 20 0 FIADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000020012295 1091305514 /nfs/dbraw/zinc/30/55/14/1091305514.db2.gz SGDXIICOBJCINL-UHFFFAOYSA-N 2 1 351.288 4.174 20 0 FIADMP C[C@H](CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656568 1091371620 /nfs/dbraw/zinc/37/16/20/1091371620.db2.gz KVOITIOBIJODJG-NFBKMPQASA-N 2 1 352.522 4.061 20 0 FIADMP C[C@H](CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656568 1091371628 /nfs/dbraw/zinc/37/16/28/1091371628.db2.gz KVOITIOBIJODJG-NFBKMPQASA-N 2 1 352.522 4.061 20 0 FIADMP COc1cccc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1 ZINC000500406628 1091456720 /nfs/dbraw/zinc/45/67/20/1091456720.db2.gz GHFMRHUPYSYALL-MRXNPFEDSA-N 2 1 365.452 4.266 20 0 FIADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388542610 1091508704 /nfs/dbraw/zinc/50/87/04/1091508704.db2.gz RSXFTXKBFWWFQN-DENIHFKCSA-N 2 1 352.522 4.128 20 0 FIADMP CC(C)[N@@H+](CCc1nccs1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093764363 1091514876 /nfs/dbraw/zinc/51/48/76/1091514876.db2.gz YWAIBXFKFCHNQE-UHFFFAOYSA-N 2 1 373.566 4.071 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246644 1091960333 /nfs/dbraw/zinc/96/03/33/1091960333.db2.gz XBBKDMRHQUTOHS-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246644 1091960341 /nfs/dbraw/zinc/96/03/41/1091960341.db2.gz XBBKDMRHQUTOHS-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246644 1091960342 /nfs/dbraw/zinc/96/03/42/1091960342.db2.gz XBBKDMRHQUTOHS-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246644 1091960344 /nfs/dbraw/zinc/96/03/44/1091960344.db2.gz XBBKDMRHQUTOHS-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP CCCCn1c2ccccc2n(C[N@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728906935 1091980323 /nfs/dbraw/zinc/98/03/23/1091980323.db2.gz NBAGLIFUKFUEOT-UHFFFAOYSA-N 2 1 360.571 4.203 20 0 FIADMP CCCCn1c2ccccc2n(C[N@@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728906935 1091980326 /nfs/dbraw/zinc/98/03/26/1091980326.db2.gz NBAGLIFUKFUEOT-UHFFFAOYSA-N 2 1 360.571 4.203 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512312339 1092032126 /nfs/dbraw/zinc/03/21/26/1092032126.db2.gz CYTYUBXJWBYOPY-JZXOWHBKSA-N 2 1 369.553 4.220 20 0 FIADMP COc1ccc(C)cc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432673875 1092061271 /nfs/dbraw/zinc/06/12/71/1092061271.db2.gz YCHMJMQTOPPZDK-HXUWFJFHSA-N 2 1 356.535 4.209 20 0 FIADMP CCCc1nc(C)c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236208 1092305319 /nfs/dbraw/zinc/30/53/19/1092305319.db2.gz GOZYFIWTOFWOEB-XLIONFOSSA-N 2 1 355.526 4.420 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012208 1092346746 /nfs/dbraw/zinc/34/67/46/1092346746.db2.gz XXOMYWSBHUWLKP-KZTDQWPFSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014109 1092675206 /nfs/dbraw/zinc/67/52/06/1092675206.db2.gz KABPCMNFRVRFFP-KZTDQWPFSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014109 1092675210 /nfs/dbraw/zinc/67/52/10/1092675210.db2.gz KABPCMNFRVRFFP-KZTDQWPFSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014109 1092675214 /nfs/dbraw/zinc/67/52/14/1092675214.db2.gz KABPCMNFRVRFFP-KZTDQWPFSA-N 2 1 365.565 4.321 20 0 FIADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000549678936 1092691286 /nfs/dbraw/zinc/69/12/86/1092691286.db2.gz QTYAVYNRLUKJCV-LJQANCHMSA-N 2 1 352.526 4.426 20 0 FIADMP COc1c(F)cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001143533473 1092700054 /nfs/dbraw/zinc/70/00/54/1092700054.db2.gz CIGIWDCLJQWVRQ-PMACEKPBSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001143533473 1092700063 /nfs/dbraw/zinc/70/00/63/1092700063.db2.gz CIGIWDCLJQWVRQ-PMACEKPBSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001143533473 1092700069 /nfs/dbraw/zinc/70/00/69/1092700069.db2.gz CIGIWDCLJQWVRQ-PMACEKPBSA-N 2 1 368.496 4.178 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442782362 1092760406 /nfs/dbraw/zinc/76/04/06/1092760406.db2.gz PXBTWDHFFZQEPR-QNTHMWBDSA-N 2 1 373.544 4.381 20 0 FIADMP C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000442825131 1092779392 /nfs/dbraw/zinc/77/93/92/1092779392.db2.gz IEHPVXNOPAMFRH-IHPCNDPISA-N 2 1 359.517 4.135 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)[C@H](C)C1 ZINC000474039342 1092838087 /nfs/dbraw/zinc/83/80/87/1092838087.db2.gz SUHTWKDLPUXYCF-WTNAPCKOSA-N 2 1 374.569 4.144 20 0 FIADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000442921946 1092867608 /nfs/dbraw/zinc/86/76/08/1092867608.db2.gz OBERUUIHGYGXPN-MRXNPFEDSA-N 2 1 371.912 4.153 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246227731 1092931363 /nfs/dbraw/zinc/93/13/63/1092931363.db2.gz FRJNNHZYJGURMV-ZJOUEHCJSA-N 2 1 354.469 4.162 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246227731 1092931365 /nfs/dbraw/zinc/93/13/65/1092931365.db2.gz FRJNNHZYJGURMV-ZJOUEHCJSA-N 2 1 354.469 4.162 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512565235 1092935338 /nfs/dbraw/zinc/93/53/38/1092935338.db2.gz OVROJGNNCLIXJP-SJPCQFCGSA-N 2 1 370.459 4.421 20 0 FIADMP C[NH+](CCCCOc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512565235 1092935342 /nfs/dbraw/zinc/93/53/42/1092935342.db2.gz OVROJGNNCLIXJP-SJPCQFCGSA-N 2 1 370.459 4.421 20 0 FIADMP C[NH+](CCCCOc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512565235 1092935345 /nfs/dbraw/zinc/93/53/45/1092935345.db2.gz OVROJGNNCLIXJP-SJPCQFCGSA-N 2 1 370.459 4.421 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000796723261 1092979019 /nfs/dbraw/zinc/97/90/19/1092979019.db2.gz OBVYBGNFBUHLOE-OAHLLOKOSA-N 2 1 364.555 4.230 20 0 FIADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)CC1 ZINC000512636959 1093056191 /nfs/dbraw/zinc/05/61/91/1093056191.db2.gz QEABCGVVPJVQOE-HUUMMWPTSA-N 2 1 368.565 4.301 20 0 FIADMP C[C@H](CC[N@H+]1CCC[C@@]2(CCSC2)C1)[NH+]1CCC[C@]2(CCSC2)C1 ZINC000451963981 1093161794 /nfs/dbraw/zinc/16/17/94/1093161794.db2.gz IJUJKIBKINCSLS-AQNXPRMDSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@@]2(CCSC2)C1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963981 1093161800 /nfs/dbraw/zinc/16/18/00/1093161800.db2.gz IJUJKIBKINCSLS-AQNXPRMDSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@@]2(CCSC2)C1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963981 1093161804 /nfs/dbraw/zinc/16/18/04/1093161804.db2.gz IJUJKIBKINCSLS-AQNXPRMDSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)N(O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018836 1093173909 /nfs/dbraw/zinc/17/39/09/1093173909.db2.gz FLPXBCVMHYSHSA-PIKOESSRSA-N 2 1 359.558 4.038 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000474085412 1093234554 /nfs/dbraw/zinc/23/45/54/1093234554.db2.gz WAOSMRYTOFQWOG-BVYCBKJFSA-N 2 1 350.506 4.319 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000474085412 1093234561 /nfs/dbraw/zinc/23/45/61/1093234561.db2.gz WAOSMRYTOFQWOG-BVYCBKJFSA-N 2 1 350.506 4.319 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021968 1093261162 /nfs/dbraw/zinc/26/11/62/1093261162.db2.gz RQSFYNODOZLZBX-LIWAJOSJSA-N 2 1 374.475 4.029 20 0 FIADMP COC[C@H]([NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001168022800 1093318812 /nfs/dbraw/zinc/31/88/12/1093318812.db2.gz BLRICSBQSUHDLI-YDHSSHFGSA-N 2 1 352.522 4.405 20 0 FIADMP COC[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001168022800 1093318822 /nfs/dbraw/zinc/31/88/22/1093318822.db2.gz BLRICSBQSUHDLI-YDHSSHFGSA-N 2 1 352.522 4.405 20 0 FIADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443608124 1093321744 /nfs/dbraw/zinc/32/17/44/1093321744.db2.gz VXBUETHAYNHSRY-UHFFFAOYSA-N 2 1 371.569 4.337 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000191492822 1093400065 /nfs/dbraw/zinc/40/00/65/1093400065.db2.gz XVZHQVCGTXNJJY-UHFFFAOYSA-N 2 1 355.526 4.486 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000191492822 1093400071 /nfs/dbraw/zinc/40/00/71/1093400071.db2.gz XVZHQVCGTXNJJY-UHFFFAOYSA-N 2 1 355.526 4.486 20 0 FIADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)C1CCC1)C1CCC1 ZINC000433251888 1093506414 /nfs/dbraw/zinc/50/64/14/1093506414.db2.gz JRBQHUUXXQRGOO-UHFFFAOYSA-N 2 1 351.332 4.418 20 0 FIADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)C1CCC1)C1CCC1 ZINC000433251888 1093506422 /nfs/dbraw/zinc/50/64/22/1093506422.db2.gz JRBQHUUXXQRGOO-UHFFFAOYSA-N 2 1 351.332 4.418 20 0 FIADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)C1CCC1)C1CCC1 ZINC000433251888 1093506427 /nfs/dbraw/zinc/50/64/27/1093506427.db2.gz JRBQHUUXXQRGOO-UHFFFAOYSA-N 2 1 351.332 4.418 20 0 FIADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168032221 1093652459 /nfs/dbraw/zinc/65/24/59/1093652459.db2.gz GQDPZVMSRRGFPI-WQIFRTTPSA-N 2 1 372.553 4.140 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000513065089 1093721205 /nfs/dbraw/zinc/72/12/05/1093721205.db2.gz QEVZVPSGFCNNOK-VQIMIIECSA-N 2 1 357.567 4.199 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000513065089 1093721213 /nfs/dbraw/zinc/72/12/13/1093721213.db2.gz QEVZVPSGFCNNOK-VQIMIIECSA-N 2 1 357.567 4.199 20 0 FIADMP Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000607142894 1093737777 /nfs/dbraw/zinc/73/77/77/1093737777.db2.gz NIBBZSDWKOSISC-UHFFFAOYSA-N 2 1 373.403 4.060 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614389692 1093800567 /nfs/dbraw/zinc/80/05/67/1093800567.db2.gz XCYOZKCBDPXQRA-RTBURBONSA-N 2 1 374.532 4.398 20 0 FIADMP Cc1ccc2c(C)cc(NCC3CC[NH+](C4CCOCC4)CC3)[nH+]c2c1 ZINC000664150026 1093816664 /nfs/dbraw/zinc/81/66/64/1093816664.db2.gz FTQFAFBGECIMFM-UHFFFAOYSA-N 2 1 353.510 4.155 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474474551 1093820181 /nfs/dbraw/zinc/82/01/81/1093820181.db2.gz HFRCMLJDVXUSSZ-QRVBRYPASA-N 2 1 362.558 4.298 20 0 FIADMP C[N@@H+](CC/C=C\c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513152692 1093911766 /nfs/dbraw/zinc/91/17/66/1093911766.db2.gz FWZRJXUJHCFINO-SWROQVPMSA-N 2 1 363.343 4.409 20 0 FIADMP C[NH+](CC/C=C\c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513152692 1093911767 /nfs/dbraw/zinc/91/17/67/1093911767.db2.gz FWZRJXUJHCFINO-SWROQVPMSA-N 2 1 363.343 4.409 20 0 FIADMP C[NH+](CC/C=C\c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513152692 1093911770 /nfs/dbraw/zinc/91/17/70/1093911770.db2.gz FWZRJXUJHCFINO-SWROQVPMSA-N 2 1 363.343 4.409 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221868 1094018227 /nfs/dbraw/zinc/01/82/27/1094018227.db2.gz FIDILZLDNQIPQG-WTIAFYNJSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221868 1094018237 /nfs/dbraw/zinc/01/82/37/1094018237.db2.gz FIDILZLDNQIPQG-WTIAFYNJSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363055 1094080528 /nfs/dbraw/zinc/08/05/28/1094080528.db2.gz GUFMEWKIRFLSPN-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363055 1094080535 /nfs/dbraw/zinc/08/05/35/1094080535.db2.gz GUFMEWKIRFLSPN-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000513372735 1094090442 /nfs/dbraw/zinc/09/04/42/1094090442.db2.gz QZDJQWMJHMPTMW-XQBPLPMBSA-N 2 1 371.569 4.006 20 0 FIADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513418890 1094107358 /nfs/dbraw/zinc/10/73/58/1094107358.db2.gz DIILZWJUNRSXAL-GOSISDBHSA-N 2 1 370.516 4.304 20 0 FIADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513418890 1094107361 /nfs/dbraw/zinc/10/73/61/1094107361.db2.gz DIILZWJUNRSXAL-GOSISDBHSA-N 2 1 370.516 4.304 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513415484 1094114415 /nfs/dbraw/zinc/11/44/15/1094114415.db2.gz JQFSPLXLZZUBHH-LJQANCHMSA-N 2 1 352.526 4.165 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513415484 1094114419 /nfs/dbraw/zinc/11/44/19/1094114419.db2.gz JQFSPLXLZZUBHH-LJQANCHMSA-N 2 1 352.526 4.165 20 0 FIADMP Cc1cccc2ncc(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)n21 ZINC000513493435 1094161372 /nfs/dbraw/zinc/16/13/72/1094161372.db2.gz ASEIVVIXIFAXBN-FPOVZHCZSA-N 2 1 362.521 4.033 20 0 FIADMP Cc1ccc2ncc(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)n2c1 ZINC000513500301 1094172817 /nfs/dbraw/zinc/17/28/17/1094172817.db2.gz LTEXZIYGTUBQON-TZIWHRDSSA-N 2 1 362.521 4.033 20 0 FIADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000513499808 1094173035 /nfs/dbraw/zinc/17/30/35/1094173035.db2.gz IXZCODLMEVSWNO-GHTZIAJQSA-N 2 1 368.521 4.094 20 0 FIADMP C[N@@H+](CCCN[C@@H](Cc1ccccn1)c1cccnc1)C1CCCCC1 ZINC000513501579 1094173848 /nfs/dbraw/zinc/17/38/48/1094173848.db2.gz UDQAIQUJJLWBNO-QFIPXVFZSA-N 2 1 352.526 4.005 20 0 FIADMP C[N@H+](CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C1CCCCC1 ZINC000513501579 1094173850 /nfs/dbraw/zinc/17/38/50/1094173850.db2.gz UDQAIQUJJLWBNO-QFIPXVFZSA-N 2 1 352.526 4.005 20 0 FIADMP C[N@@H+](CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)C1CCCCC1 ZINC000513501579 1094173851 /nfs/dbraw/zinc/17/38/51/1094173851.db2.gz UDQAIQUJJLWBNO-QFIPXVFZSA-N 2 1 352.526 4.005 20 0 FIADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513501971 1094173883 /nfs/dbraw/zinc/17/38/83/1094173883.db2.gz WEFQSXYXOKQWTE-GHTZIAJQSA-N 2 1 365.521 4.035 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000513523828 1094196961 /nfs/dbraw/zinc/19/69/61/1094196961.db2.gz CLJKSDUQFJVJGA-SIKLNZKXSA-N 2 1 352.526 4.005 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000513698099 1094361314 /nfs/dbraw/zinc/36/13/14/1094361314.db2.gz WMFWQPFZIYRRRB-KURKYZTESA-N 2 1 368.468 4.039 20 0 FIADMP C[N@H+](Cc1ccc(F)c2cccnc12)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051645 1094457700 /nfs/dbraw/zinc/45/77/00/1094457700.db2.gz ZGNNJUKMKXXIQC-UHFFFAOYSA-N 2 1 364.468 4.117 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@@H]1c1ccccc1 ZINC000453419859 1094582298 /nfs/dbraw/zinc/58/22/98/1094582298.db2.gz JUOIADJSVBKGAD-UAFMIMERSA-N 2 1 356.535 4.393 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@@H]1c1ccccc1 ZINC000453419859 1094582315 /nfs/dbraw/zinc/58/23/15/1094582315.db2.gz JUOIADJSVBKGAD-UAFMIMERSA-N 2 1 356.535 4.393 20 0 FIADMP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000474815324 1094660418 /nfs/dbraw/zinc/66/04/18/1094660418.db2.gz FHJAKBYWFABVLU-IRLDBZIGSA-N 2 1 356.510 4.206 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000474876635 1094839390 /nfs/dbraw/zinc/83/93/90/1094839390.db2.gz DPIRSMLFCTXFEJ-GUDVDZBRSA-N 2 1 362.558 4.153 20 0 FIADMP Cc1nc([C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000420308269 1094873219 /nfs/dbraw/zinc/87/32/19/1094873219.db2.gz NIMGCBOLAKKFLY-OAHLLOKOSA-N 2 1 359.901 4.440 20 0 FIADMP Fc1cccc(Cl)c1CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420311637 1094874297 /nfs/dbraw/zinc/87/42/97/1094874297.db2.gz NYVNPNRRIYRBGJ-QGZVFWFLSA-N 2 1 361.892 4.061 20 0 FIADMP Fc1cccc(Cl)c1CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420311637 1094874318 /nfs/dbraw/zinc/87/43/18/1094874318.db2.gz NYVNPNRRIYRBGJ-QGZVFWFLSA-N 2 1 361.892 4.061 20 0 FIADMP COCC[N@@H+](C)CCCC1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000501779975 1094922450 /nfs/dbraw/zinc/92/24/50/1094922450.db2.gz ZZARLUWQORUGBD-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000501779975 1094922453 /nfs/dbraw/zinc/92/24/53/1094922453.db2.gz ZZARLUWQORUGBD-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000501779975 1094922454 /nfs/dbraw/zinc/92/24/54/1094922454.db2.gz ZZARLUWQORUGBD-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000474943871 1094938492 /nfs/dbraw/zinc/93/84/92/1094938492.db2.gz OEHLVGQEIDGUOR-HOIFWPIMSA-N 2 1 372.940 4.188 20 0 FIADMP C[C@H]1C[C@@]1([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000420927661 1095168132 /nfs/dbraw/zinc/16/81/32/1095168132.db2.gz ADPLMPNKJZAEMS-JTSKRJEESA-N 2 1 370.924 4.197 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)C1 ZINC000502278023 1095296525 /nfs/dbraw/zinc/29/65/25/1095296525.db2.gz SSTOXVIQWUTIBB-UGKGYDQZSA-N 2 1 356.554 4.357 20 0 FIADMP C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000513741281 1095335795 /nfs/dbraw/zinc/33/57/95/1095335795.db2.gz JSLSUYJOQZUQCD-UHFFFAOYSA-N 2 1 368.365 4.498 20 0 FIADMP Fc1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502318418 1095342243 /nfs/dbraw/zinc/34/22/43/1095342243.db2.gz OTPAJTZPIDYTKS-HNNXBMFYSA-N 2 1 353.441 4.484 20 0 FIADMP Fc1ccc2oc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502318418 1095342268 /nfs/dbraw/zinc/34/22/68/1095342268.db2.gz OTPAJTZPIDYTKS-HNNXBMFYSA-N 2 1 353.441 4.484 20 0 FIADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502328209 1095385939 /nfs/dbraw/zinc/38/59/39/1095385939.db2.gz UTBQPRQLGCMTTN-IBGZPJMESA-N 2 1 353.510 4.386 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000428327480 1095720084 /nfs/dbraw/zinc/72/00/84/1095720084.db2.gz TZCVDFQCPMPJQK-CVEARBPZSA-N 2 1 352.469 4.339 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000428327480 1095720097 /nfs/dbraw/zinc/72/00/97/1095720097.db2.gz TZCVDFQCPMPJQK-CVEARBPZSA-N 2 1 352.469 4.339 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502880585 1095917122 /nfs/dbraw/zinc/91/71/22/1095917122.db2.gz QGNXQXUKYHZHSL-LPHOPBHVSA-N 2 1 350.934 4.087 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502880585 1095917126 /nfs/dbraw/zinc/91/71/26/1095917126.db2.gz QGNXQXUKYHZHSL-LPHOPBHVSA-N 2 1 350.934 4.087 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000502880585 1095917132 /nfs/dbraw/zinc/91/71/32/1095917132.db2.gz QGNXQXUKYHZHSL-LPHOPBHVSA-N 2 1 350.934 4.087 20 0 FIADMP CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503078570 1096055437 /nfs/dbraw/zinc/05/54/37/1096055437.db2.gz ZVKBOIQCBOKONC-QGZVFWFLSA-N 2 1 350.304 4.427 20 0 FIADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503078570 1096055449 /nfs/dbraw/zinc/05/54/49/1096055449.db2.gz ZVKBOIQCBOKONC-QGZVFWFLSA-N 2 1 350.304 4.427 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161333 1096101435 /nfs/dbraw/zinc/10/14/35/1096101435.db2.gz SKQOHEGWJGUGMT-GCJKJVERSA-N 2 1 365.521 4.302 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161333 1096101439 /nfs/dbraw/zinc/10/14/39/1096101439.db2.gz SKQOHEGWJGUGMT-GCJKJVERSA-N 2 1 365.521 4.302 20 0 FIADMP C[C@H](C[NH+](C)CCCC[N@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273115133 1096235908 /nfs/dbraw/zinc/23/59/08/1096235908.db2.gz QRYNBKVFABGOIR-IYBDPMFKSA-N 2 1 366.600 4.151 20 0 FIADMP C[C@H](C[N@@H+](C)CCCC[NH+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273115133 1096235918 /nfs/dbraw/zinc/23/59/18/1096235918.db2.gz QRYNBKVFABGOIR-IYBDPMFKSA-N 2 1 366.600 4.151 20 0 FIADMP C[C@H](C[N@H+](C)CCCC[NH+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273115133 1096235927 /nfs/dbraw/zinc/23/59/27/1096235927.db2.gz QRYNBKVFABGOIR-IYBDPMFKSA-N 2 1 366.600 4.151 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000414663884 1096375889 /nfs/dbraw/zinc/37/58/89/1096375889.db2.gz SEDVPKAIYSUEGC-RBUKOAKNSA-N 2 1 360.505 4.017 20 0 FIADMP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000503382582 1096381045 /nfs/dbraw/zinc/38/10/45/1096381045.db2.gz JCPUFQWTKNKOGZ-GOSISDBHSA-N 2 1 362.477 4.254 20 0 FIADMP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000503382582 1096381053 /nfs/dbraw/zinc/38/10/53/1096381053.db2.gz JCPUFQWTKNKOGZ-GOSISDBHSA-N 2 1 362.477 4.254 20 0 FIADMP CCCOc1ccc(Oc2ncccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422688152 1096443399 /nfs/dbraw/zinc/44/33/99/1096443399.db2.gz CSSRSRMVMQWCCT-DFNIBXOVSA-N 2 1 367.493 4.035 20 0 FIADMP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000503591393 1096488055 /nfs/dbraw/zinc/48/80/55/1096488055.db2.gz HRQVRWZBSCYLIL-WIYYLYMNSA-N 2 1 356.510 4.206 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422866311 1096508087 /nfs/dbraw/zinc/50/80/87/1096508087.db2.gz QDRSNFAQKSRLDH-PCCBWWKXSA-N 2 1 369.484 4.413 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422913432 1096522772 /nfs/dbraw/zinc/52/27/72/1096522772.db2.gz QCLDEWOVLMAQKH-LEUOFYLZSA-N 2 1 356.539 4.167 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414703557 1096524606 /nfs/dbraw/zinc/52/46/06/1096524606.db2.gz CKYXUSSDKBLLED-DYESRHJHSA-N 2 1 372.557 4.185 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000422959313 1096539396 /nfs/dbraw/zinc/53/93/96/1096539396.db2.gz RLVPKSRIEXNQEQ-UKRRQHHQSA-N 2 1 352.507 4.384 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422990329 1096540512 /nfs/dbraw/zinc/54/05/12/1096540512.db2.gz BQXSUENXLMXBDJ-DHIUTWEWSA-N 2 1 361.489 4.146 20 0 FIADMP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422987420 1096545674 /nfs/dbraw/zinc/54/56/74/1096545674.db2.gz GJRIAFXOJXHYTD-WZYRSQIMSA-N 2 1 350.506 4.207 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000414710534 1096546081 /nfs/dbraw/zinc/54/60/81/1096546081.db2.gz LIYDLFVWBOQGGC-HKUYNNGSSA-N 2 1 372.557 4.090 20 0 FIADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423021380 1096551318 /nfs/dbraw/zinc/55/13/18/1096551318.db2.gz BXNYJEZNXRUHKX-IFXJQAMLSA-N 2 1 367.320 4.058 20 0 FIADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423021382 1096551824 /nfs/dbraw/zinc/55/18/24/1096551824.db2.gz BXNYJEZNXRUHKX-LIRRHRJNSA-N 2 1 367.320 4.058 20 0 FIADMP Fc1ccc(C2([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)c(F)c1 ZINC000423028196 1096554241 /nfs/dbraw/zinc/55/42/41/1096554241.db2.gz QJUARVSKATVBAF-PZJWPPBQSA-N 2 1 370.443 4.190 20 0 FIADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423041821 1096558644 /nfs/dbraw/zinc/55/86/44/1096558644.db2.gz JWZWIOCQPCPMCZ-WWGRRREGSA-N 2 1 360.468 4.024 20 0 FIADMP Brc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423207096 1096607323 /nfs/dbraw/zinc/60/73/23/1096607323.db2.gz GPILHNLNWTZJJR-KXBFYZLASA-N 2 1 359.311 4.128 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188381 1096611163 /nfs/dbraw/zinc/61/11/63/1096611163.db2.gz NPYZNRCAFYWVEK-INIZCTEOSA-N 2 1 366.534 4.344 20 0 FIADMP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423190834 1096611962 /nfs/dbraw/zinc/61/19/62/1096611962.db2.gz RPQAPSWVAJPCMP-KRWDZBQOSA-N 2 1 350.293 4.145 20 0 FIADMP Cc1cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)sc1Br ZINC000423192698 1096613505 /nfs/dbraw/zinc/61/35/05/1096613505.db2.gz VTYQRWGGPJAJNG-ZDUSSCGKSA-N 2 1 368.344 4.045 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000423341460 1096651295 /nfs/dbraw/zinc/65/12/95/1096651295.db2.gz UMUUJEXIACWEBD-IAGOWNOFSA-N 2 1 351.494 4.191 20 0 FIADMP Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359229 1096656399 /nfs/dbraw/zinc/65/63/99/1096656399.db2.gz URWVPXAZXNVRFL-PIATZUFCSA-N 2 1 361.533 4.431 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000423385214 1096662468 /nfs/dbraw/zinc/66/24/68/1096662468.db2.gz GOLSOUMQMUFVGX-NIKGAXFTSA-N 2 1 359.311 4.126 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423399108 1096667056 /nfs/dbraw/zinc/66/70/56/1096667056.db2.gz PJXFGAGBZMLTGT-NVGCLXPQSA-N 2 1 367.324 4.136 20 0 FIADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000423460149 1096689458 /nfs/dbraw/zinc/68/94/58/1096689458.db2.gz IVAYVWNXVYMNOA-JQWIXIFHSA-N 2 1 368.344 4.269 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000515494947 1098629116 /nfs/dbraw/zinc/62/91/16/1098629116.db2.gz AJBPEZWUPHXFGM-MRXNPFEDSA-N 2 1 354.523 4.478 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000515494947 1098629122 /nfs/dbraw/zinc/62/91/22/1098629122.db2.gz AJBPEZWUPHXFGM-MRXNPFEDSA-N 2 1 354.523 4.478 20 0 FIADMP Fc1ccccc1-c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414878101 1098719217 /nfs/dbraw/zinc/71/92/17/1098719217.db2.gz NIZMTPSLUFQFIY-UHFFFAOYSA-N 2 1 355.482 4.219 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080376 1098748498 /nfs/dbraw/zinc/74/84/98/1098748498.db2.gz MHLXUNYNFUTFKB-UNWVZKJWSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080376 1098748513 /nfs/dbraw/zinc/74/85/13/1098748513.db2.gz MHLXUNYNFUTFKB-UNWVZKJWSA-N 2 1 366.505 4.162 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)CCCC2)CC1 ZINC000436254919 1098869978 /nfs/dbraw/zinc/86/99/78/1098869978.db2.gz VJGGBZDPSJJOCD-FCHUYYIVSA-N 2 1 370.581 4.411 20 0 FIADMP Fc1cccc2[nH]c(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc21 ZINC000436273700 1098900523 /nfs/dbraw/zinc/90/05/23/1098900523.db2.gz JVVWMVDPCKXAFZ-HNNXBMFYSA-N 2 1 357.498 4.370 20 0 FIADMP Fc1cccc2[nH]c(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000436273700 1098900525 /nfs/dbraw/zinc/90/05/25/1098900525.db2.gz JVVWMVDPCKXAFZ-HNNXBMFYSA-N 2 1 357.498 4.370 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298649 1098911262 /nfs/dbraw/zinc/91/12/62/1098911262.db2.gz ZLNCRFBCMIPSNA-SJLPKXTDSA-N 2 1 351.469 4.450 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436301832 1098916030 /nfs/dbraw/zinc/91/60/30/1098916030.db2.gz OTIHAPJGTIOWBH-IERDGZPVSA-N 2 1 351.469 4.307 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000515900791 1099020749 /nfs/dbraw/zinc/02/07/49/1099020749.db2.gz YVBVXXIVKHIQHY-GOTSBHOMSA-N 2 1 368.496 4.023 20 0 FIADMP CC[NH+](CC)Cc1ccccc1Nc1ccccc1C[NH+]1CCN(C)CC1 ZINC001211993692 1099141587 /nfs/dbraw/zinc/14/15/87/1099141587.db2.gz ASTREOAHULGNDV-UHFFFAOYSA-N 2 1 366.553 4.019 20 0 FIADMP Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534665 1099162907 /nfs/dbraw/zinc/16/29/07/1099162907.db2.gz ARTBFBLRCDTAGY-QRWLVFNGSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534665 1099162910 /nfs/dbraw/zinc/16/29/10/1099162910.db2.gz ARTBFBLRCDTAGY-QRWLVFNGSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000533534665 1099162918 /nfs/dbraw/zinc/16/29/18/1099162918.db2.gz ARTBFBLRCDTAGY-QRWLVFNGSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000533534665 1099162925 /nfs/dbraw/zinc/16/29/25/1099162925.db2.gz ARTBFBLRCDTAGY-QRWLVFNGSA-N 2 1 355.913 4.337 20 0 FIADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000516181365 1099242197 /nfs/dbraw/zinc/24/21/97/1099242197.db2.gz CDBRFWXXOYSFMY-UHFFFAOYSA-N 2 1 365.340 4.361 20 0 FIADMP Cc1cc(C)c(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c(C)n1 ZINC000455479700 1099250251 /nfs/dbraw/zinc/25/02/51/1099250251.db2.gz NPBCEVFJRKBUGS-UHFFFAOYSA-N 2 1 358.530 4.127 20 0 FIADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000459389536 1099364318 /nfs/dbraw/zinc/36/43/18/1099364318.db2.gz QWENBIKSYBPQFB-HSZRJFAPSA-N 2 1 363.505 4.162 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000067691375 1099488044 /nfs/dbraw/zinc/48/80/44/1099488044.db2.gz RQWZDIDIIZEQPM-HXUWFJFHSA-N 2 1 367.537 4.405 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505925546 1099506422 /nfs/dbraw/zinc/50/64/22/1099506422.db2.gz USIZCAVTWHOTKN-NHCUHLMSSA-N 2 1 365.606 4.002 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000161558481 1099512148 /nfs/dbraw/zinc/51/21/48/1099512148.db2.gz VRGSWHNTEUYBKT-KRWDZBQOSA-N 2 1 359.477 4.271 20 0 FIADMP CC(C)CCn1cccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000161784470 1099537094 /nfs/dbraw/zinc/53/70/94/1099537094.db2.gz AMRRTGQDWYGUCE-HXUWFJFHSA-N 2 1 369.553 4.045 20 0 FIADMP CC(C)CCn1cccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000161784470 1099537104 /nfs/dbraw/zinc/53/71/04/1099537104.db2.gz AMRRTGQDWYGUCE-HXUWFJFHSA-N 2 1 369.553 4.045 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261638614 1099628792 /nfs/dbraw/zinc/62/87/92/1099628792.db2.gz DHKNSHNXTHPJBN-HSZRJFAPSA-N 2 1 360.505 4.018 20 0 FIADMP CCC[N@H+](Cc1cc(Br)c(Cl)s1)C1CC[NH2+]CC1 ZINC000261943885 1099679402 /nfs/dbraw/zinc/67/94/02/1099679402.db2.gz NBEUUQPNKCHVCG-UHFFFAOYSA-N 2 1 351.741 4.128 20 0 FIADMP CCC[N@@H+](Cc1cc(Br)c(Cl)s1)C1CC[NH2+]CC1 ZINC000261943885 1099679413 /nfs/dbraw/zinc/67/94/13/1099679413.db2.gz NBEUUQPNKCHVCG-UHFFFAOYSA-N 2 1 351.741 4.128 20 0 FIADMP C[C@H]1c2cccn2CC[NH+]1CCCCCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000729815061 1099697408 /nfs/dbraw/zinc/69/74/08/1099697408.db2.gz NAWFDWDRBUZKDE-PMACEKPBSA-N 2 1 354.542 4.303 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694343 1099826565 /nfs/dbraw/zinc/82/65/65/1099826565.db2.gz CPYNMDKYTMWMRC-KNQAVFIVSA-N 2 1 352.522 4.223 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713928 1099886510 /nfs/dbraw/zinc/88/65/10/1099886510.db2.gz AQHMRHPIGYHDDE-FXAWDEMLSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709832 1099899895 /nfs/dbraw/zinc/89/98/95/1099899895.db2.gz JWNLOLYUTWNSMH-GDKQOWJMSA-N 2 1 364.533 4.407 20 0 FIADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721163 1099939066 /nfs/dbraw/zinc/93/90/66/1099939066.db2.gz UANVVRIKQWTLBG-PIPMEXSNSA-N 2 1 356.485 4.013 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722913 1099943593 /nfs/dbraw/zinc/94/35/93/1099943593.db2.gz YXOWVJJDWMAJFH-QPPBQGQZSA-N 3 1 371.613 4.245 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000508722913 1099943595 /nfs/dbraw/zinc/94/35/95/1099943595.db2.gz YXOWVJJDWMAJFH-QPPBQGQZSA-N 2 1 371.613 4.245 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000162788531 1099998467 /nfs/dbraw/zinc/99/84/67/1099998467.db2.gz TVTLHQWCMRMVJC-HNNXBMFYSA-N 2 1 361.555 4.478 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467360074 1100104177 /nfs/dbraw/zinc/10/41/77/1100104177.db2.gz WFCXVVUHIAEVHO-FHGIMWBPSA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467360074 1100104180 /nfs/dbraw/zinc/10/41/80/1100104180.db2.gz WFCXVVUHIAEVHO-FHGIMWBPSA-N 2 1 356.554 4.082 20 0 FIADMP c1ccc(OCc2ccncc2)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000536660553 1100128226 /nfs/dbraw/zinc/12/82/26/1100128226.db2.gz LJGYLOFRXYIIGN-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(OCc2ccncc2)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000536660553 1100128237 /nfs/dbraw/zinc/12/82/37/1100128237.db2.gz LJGYLOFRXYIIGN-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536672218 1100156209 /nfs/dbraw/zinc/15/62/09/1100156209.db2.gz OPWLQBANNBBACN-NRFANRHFSA-N 2 1 368.569 4.209 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517187776 1100159843 /nfs/dbraw/zinc/15/98/43/1100159843.db2.gz YKJJSRKGZYWFHP-LRXVAGHRSA-N 2 1 350.506 4.270 20 0 FIADMP COc1ccccc1/C=C/CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673995 1100160423 /nfs/dbraw/zinc/16/04/23/1100160423.db2.gz IZXRIRAWACNKRJ-NBILRRPASA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C/C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673995 1100160436 /nfs/dbraw/zinc/16/04/36/1100160436.db2.gz IZXRIRAWACNKRJ-NBILRRPASA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C/C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673995 1100160462 /nfs/dbraw/zinc/16/04/62/1100160462.db2.gz IZXRIRAWACNKRJ-NBILRRPASA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C\CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673996 1100160855 /nfs/dbraw/zinc/16/08/55/1100160855.db2.gz IZXRIRAWACNKRJ-PRUHCIRGSA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C\C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673996 1100160861 /nfs/dbraw/zinc/16/08/61/1100160861.db2.gz IZXRIRAWACNKRJ-PRUHCIRGSA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C\C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673996 1100160873 /nfs/dbraw/zinc/16/08/73/1100160873.db2.gz IZXRIRAWACNKRJ-PRUHCIRGSA-N 2 1 350.506 4.162 20 0 FIADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000459433707 1100171253 /nfs/dbraw/zinc/17/12/53/1100171253.db2.gz TUCJYJZOKQWGGH-KRWDZBQOSA-N 2 1 356.432 4.079 20 0 FIADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440426 1100175821 /nfs/dbraw/zinc/17/58/21/1100175821.db2.gz USMPOKPKQUUGBA-OXQOHEQNSA-N 2 1 360.523 4.025 20 0 FIADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440426 1100175831 /nfs/dbraw/zinc/17/58/31/1100175831.db2.gz USMPOKPKQUUGBA-OXQOHEQNSA-N 2 1 360.523 4.025 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459473775 1100224858 /nfs/dbraw/zinc/22/48/58/1100224858.db2.gz XLFFZUFELIGRNG-RHSMWYFYSA-N 2 1 372.582 4.324 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459473775 1100224863 /nfs/dbraw/zinc/22/48/63/1100224863.db2.gz XLFFZUFELIGRNG-RHSMWYFYSA-N 2 1 372.582 4.324 20 0 FIADMP c1nc2cc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)ccc2[nH]1 ZINC000536708708 1100226868 /nfs/dbraw/zinc/22/68/68/1100226868.db2.gz OURCXRXVOJBGNQ-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP c1nc2ccc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cc2[nH]1 ZINC000536708708 1100226873 /nfs/dbraw/zinc/22/68/73/1100226873.db2.gz OURCXRXVOJBGNQ-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP c1nc2ccc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)cc2[nH]1 ZINC000536708708 1100226885 /nfs/dbraw/zinc/22/68/85/1100226885.db2.gz OURCXRXVOJBGNQ-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP COc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1C ZINC000517275159 1100240436 /nfs/dbraw/zinc/24/04/36/1100240436.db2.gz VWPZHAHNLAVBSV-UHFFFAOYSA-N 2 1 353.510 4.137 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655254 1100282102 /nfs/dbraw/zinc/28/21/02/1100282102.db2.gz LBOQJVOQOMLZOR-ABSDTBQOSA-N 2 1 352.478 4.119 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000379655254 1100282114 /nfs/dbraw/zinc/28/21/14/1100282114.db2.gz LBOQJVOQOMLZOR-ABSDTBQOSA-N 2 1 352.478 4.119 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000536841789 1100352524 /nfs/dbraw/zinc/35/25/24/1100352524.db2.gz UMINIMSSUQDSKW-AUSIDOKSSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000536841789 1100352533 /nfs/dbraw/zinc/35/25/33/1100352533.db2.gz UMINIMSSUQDSKW-AUSIDOKSSA-N 2 1 374.532 4.230 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2csc3ccccc23)[C@H](C)C1 ZINC000536849948 1100363271 /nfs/dbraw/zinc/36/32/71/1100363271.db2.gz DRGOABVKVLOKPN-YLJYHZDGSA-N 2 1 360.567 4.170 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000425942822 1100378741 /nfs/dbraw/zinc/37/87/41/1100378741.db2.gz GVOAAJMHIHASFF-HKUYNNGSSA-N 2 1 370.562 4.116 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000425942822 1100378751 /nfs/dbraw/zinc/37/87/51/1100378751.db2.gz GVOAAJMHIHASFF-HKUYNNGSSA-N 2 1 370.562 4.116 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000536869136 1100387939 /nfs/dbraw/zinc/38/79/39/1100387939.db2.gz KOCCFGDLNFISDV-KGLIPLIRSA-N 2 1 355.404 4.120 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000536869138 1100388311 /nfs/dbraw/zinc/38/83/11/1100388311.db2.gz KOCCFGDLNFISDV-UONOGXRCSA-N 2 1 355.404 4.120 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)[C@@H](C)C1 ZINC000536876137 1100397351 /nfs/dbraw/zinc/39/73/51/1100397351.db2.gz LGUGFNDEQPRUMF-WMZHIEFXSA-N 2 1 352.522 4.128 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)sc2C1 ZINC000438357763 1100626572 /nfs/dbraw/zinc/62/65/72/1100626572.db2.gz NQSRBNBCXBVNOH-OALUTQOASA-N 2 1 369.578 4.411 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)sc2C1 ZINC000438357763 1100626576 /nfs/dbraw/zinc/62/65/76/1100626576.db2.gz NQSRBNBCXBVNOH-OALUTQOASA-N 2 1 369.578 4.411 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000426036153 1100693283 /nfs/dbraw/zinc/69/32/83/1100693283.db2.gz OYKBQPWVKCRGTB-NYVOZVTQSA-N 2 1 364.533 4.195 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000426036153 1100693288 /nfs/dbraw/zinc/69/32/88/1100693288.db2.gz OYKBQPWVKCRGTB-NYVOZVTQSA-N 2 1 364.533 4.195 20 0 FIADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414966575 1101012625 /nfs/dbraw/zinc/01/26/25/1101012625.db2.gz GUJXUGCYXSBSMM-IBGZPJMESA-N 2 1 371.912 4.070 20 0 FIADMP Brc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000426325185 1101259400 /nfs/dbraw/zinc/25/94/00/1101259400.db2.gz UMODVYFKWBLHCM-HOTGVXAUSA-N 2 1 363.343 4.087 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335905 1101301450 /nfs/dbraw/zinc/30/14/50/1101301450.db2.gz RFHJRMKVVDLTLU-PVUWLOKVSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335905 1101301457 /nfs/dbraw/zinc/30/14/57/1101301457.db2.gz RFHJRMKVVDLTLU-PVUWLOKVSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000426345734 1101323872 /nfs/dbraw/zinc/32/38/72/1101323872.db2.gz NCDAAWIKHKPSAK-KKSFZXQISA-N 2 1 356.535 4.005 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000426355033 1101351520 /nfs/dbraw/zinc/35/15/20/1101351520.db2.gz XKWGKCOEHUQONI-WCIYBSDLSA-N 2 1 370.562 4.251 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CCOCC1 ZINC000467383873 1101360997 /nfs/dbraw/zinc/36/09/97/1101360997.db2.gz GOKHGEJLYMJVOS-IBGZPJMESA-N 2 1 350.934 4.272 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000459741297 1101366894 /nfs/dbraw/zinc/36/68/94/1101366894.db2.gz VGSFALYDSREOSR-KRWDZBQOSA-N 2 1 373.928 4.136 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000536999690 1101385929 /nfs/dbraw/zinc/38/59/29/1101385929.db2.gz XZEFXYDECANITE-XXBNENTESA-N 2 1 352.522 4.394 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000536999690 1101385938 /nfs/dbraw/zinc/38/59/38/1101385938.db2.gz XZEFXYDECANITE-XXBNENTESA-N 2 1 352.522 4.394 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000536999687 1101386187 /nfs/dbraw/zinc/38/61/87/1101386187.db2.gz XZEFXYDECANITE-AUSIDOKSSA-N 2 1 352.522 4.394 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000536999687 1101386200 /nfs/dbraw/zinc/38/62/00/1101386200.db2.gz XZEFXYDECANITE-AUSIDOKSSA-N 2 1 352.522 4.394 20 0 FIADMP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000350 1101387901 /nfs/dbraw/zinc/38/79/01/1101387901.db2.gz BKSROJDXAQVPRI-CVDCTZTESA-N 2 1 352.497 4.431 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000537107474 1101473252 /nfs/dbraw/zinc/47/32/52/1101473252.db2.gz CJDHDRPBBGOGQI-OAQYLSRUSA-N 2 1 356.485 4.410 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)C1 ZINC000518760769 1101533737 /nfs/dbraw/zinc/53/37/37/1101533737.db2.gz XHUKDOBIPBGHGX-QFIPXVFZSA-N 2 1 352.522 4.396 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1)CC1CC1 ZINC000537201163 1101535654 /nfs/dbraw/zinc/53/56/54/1101535654.db2.gz UCQSKEWCZUHVGE-UHFFFAOYSA-N 2 1 360.590 4.052 20 0 FIADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC1CC[NH2+]CC1 ZINC000178968450 1101539993 /nfs/dbraw/zinc/53/99/93/1101539993.db2.gz OJUWJJDPSKAZSR-UHFFFAOYSA-N 2 1 359.489 4.125 20 0 FIADMP c1cnn(CCCCC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475748179 1101587564 /nfs/dbraw/zinc/58/75/64/1101587564.db2.gz MKUGIIBOZJABQA-QHCPKHFHSA-N 2 1 366.553 4.042 20 0 FIADMP c1cnn(CCCCC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475748179 1101587572 /nfs/dbraw/zinc/58/75/72/1101587572.db2.gz MKUGIIBOZJABQA-QHCPKHFHSA-N 2 1 366.553 4.042 20 0 FIADMP c1cnn(CCCCC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475748179 1101587580 /nfs/dbraw/zinc/58/75/80/1101587580.db2.gz MKUGIIBOZJABQA-QHCPKHFHSA-N 2 1 366.553 4.042 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000537308409 1101635597 /nfs/dbraw/zinc/63/55/97/1101635597.db2.gz VXPSMDJBKNDTSY-VHSSKADRSA-N 2 1 362.901 4.115 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001168177397 1101994570 /nfs/dbraw/zinc/99/45/70/1101994570.db2.gz PPZZKZSXZWZCHC-UIFIKXQLSA-N 2 1 369.940 4.120 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000519225111 1102021149 /nfs/dbraw/zinc/02/11/49/1102021149.db2.gz SSMDPNDFNXVWNC-IBGZPJMESA-N 2 1 359.558 4.074 20 0 FIADMP c1ccc(-c2ccc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000655732740 1102171963 /nfs/dbraw/zinc/17/19/63/1102171963.db2.gz FOSLYAPQVLQNIM-DEOSSOPVSA-N 2 1 364.533 4.129 20 0 FIADMP C[C@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)[N@H+](C)Cc1ccccc1 ZINC000440324082 1102210328 /nfs/dbraw/zinc/21/03/28/1102210328.db2.gz FFIBGICWKUFXOQ-QGZVFWFLSA-N 2 1 366.534 4.205 20 0 FIADMP C[C@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)[N@@H+](C)Cc1ccccc1 ZINC000440324082 1102210344 /nfs/dbraw/zinc/21/03/44/1102210344.db2.gz FFIBGICWKUFXOQ-QGZVFWFLSA-N 2 1 366.534 4.205 20 0 FIADMP CCn1nc(C)c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630691 1102254637 /nfs/dbraw/zinc/25/46/37/1102254637.db2.gz BZEWVSLPWORQDB-UWJYYQICSA-N 2 1 354.542 4.005 20 0 FIADMP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415074775 1102291060 /nfs/dbraw/zinc/29/10/60/1102291060.db2.gz ATOOSAASZFOYBH-IEBWSBKVSA-N 2 1 364.411 4.211 20 0 FIADMP FC(F)(F)c1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167968630 1102326429 /nfs/dbraw/zinc/32/64/29/1102326429.db2.gz UJXZDHWHDKNIHV-YQQQUEKLSA-N 2 1 352.444 4.243 20 0 FIADMP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441723 1102329765 /nfs/dbraw/zinc/32/97/65/1102329765.db2.gz FHAKPWRZKLRPMI-BAGYTPMASA-N 2 1 367.537 4.059 20 0 FIADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000532442823 1102331861 /nfs/dbraw/zinc/33/18/61/1102331861.db2.gz LQSPPTFXKTWPRM-MAUKXSAKSA-N 2 1 363.958 4.041 20 0 FIADMP COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000532529781 1102446490 /nfs/dbraw/zinc/44/64/90/1102446490.db2.gz NUVBBKPRJOFKEF-IRXDYDNUSA-N 2 1 365.477 4.307 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000121906976 1102482705 /nfs/dbraw/zinc/48/27/05/1102482705.db2.gz RUFVWCVFWIMFPT-JOCHJYFZSA-N 2 1 373.585 4.031 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCCC2)CC1 ZINC000303633118 1102539875 /nfs/dbraw/zinc/53/98/75/1102539875.db2.gz GCYVSBMGNWPHDW-UHFFFAOYSA-N 2 1 360.299 4.062 20 0 FIADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000122178581 1102541225 /nfs/dbraw/zinc/54/12/25/1102541225.db2.gz PKZOZQKVKUKKSU-KRWDZBQOSA-N 2 1 365.562 4.104 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000122178581 1102541232 /nfs/dbraw/zinc/54/12/32/1102541232.db2.gz PKZOZQKVKUKKSU-KRWDZBQOSA-N 2 1 365.562 4.104 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000506849394 1102541734 /nfs/dbraw/zinc/54/17/34/1102541734.db2.gz ADLYRQBUVIKSKI-UHFFFAOYSA-N 2 1 362.949 4.171 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000506849394 1102541741 /nfs/dbraw/zinc/54/17/41/1102541741.db2.gz ADLYRQBUVIKSKI-UHFFFAOYSA-N 2 1 362.949 4.171 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000303813721 1102554205 /nfs/dbraw/zinc/55/42/05/1102554205.db2.gz ZNNOURJCXLQRBN-NQIIRXRSSA-N 2 1 367.537 4.192 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000303813721 1102554219 /nfs/dbraw/zinc/55/42/19/1102554219.db2.gz ZNNOURJCXLQRBN-NQIIRXRSSA-N 2 1 367.537 4.192 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782527 1102563984 /nfs/dbraw/zinc/56/39/84/1102563984.db2.gz STNWOJGYJQFMSN-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782527 1102563993 /nfs/dbraw/zinc/56/39/93/1102563993.db2.gz STNWOJGYJQFMSN-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782527 1102564003 /nfs/dbraw/zinc/56/40/03/1102564003.db2.gz STNWOJGYJQFMSN-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782527 1102564015 /nfs/dbraw/zinc/56/40/15/1102564015.db2.gz STNWOJGYJQFMSN-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000122409635 1102574035 /nfs/dbraw/zinc/57/40/35/1102574035.db2.gz BWIUMEVWPXMYLL-PGRDOPGGSA-N 2 1 372.553 4.114 20 0 FIADMP COc1cccc(CC(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167975199 1102588188 /nfs/dbraw/zinc/58/81/88/1102588188.db2.gz LSIMSNNMVTVBQN-SEJPIABJSA-N 2 1 356.554 4.259 20 0 FIADMP Cc1cnc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835454 1102651225 /nfs/dbraw/zinc/65/12/25/1102651225.db2.gz BYZGSEPRTVSMEA-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1cnc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835454 1102651232 /nfs/dbraw/zinc/65/12/32/1102651232.db2.gz BYZGSEPRTVSMEA-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3Cl)CC2)CC[N@H+]1C ZINC000550883084 1102655201 /nfs/dbraw/zinc/65/52/01/1102655201.db2.gz RTCGIYPVRHRIOI-TZMCWYRMSA-N 2 1 371.750 4.206 20 0 FIADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550885779 1102656578 /nfs/dbraw/zinc/65/65/78/1102656578.db2.gz JIWFAVASLGRRDV-KCZVDYSFSA-N 2 1 370.581 4.330 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)ccn1 ZINC000550886003 1102658287 /nfs/dbraw/zinc/65/82/87/1102658287.db2.gz AWFJFXYFTZUTET-MSOLQXFVSA-N 2 1 353.510 4.315 20 0 FIADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257334 1102676339 /nfs/dbraw/zinc/67/63/39/1102676339.db2.gz LDTMPTKLHDWHAW-DNVJHFABSA-N 2 1 364.533 4.243 20 0 FIADMP Cc1nc2ccccc2nc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000550964208 1102731477 /nfs/dbraw/zinc/73/14/77/1102731477.db2.gz SWPDQIZUVIDJTA-UHFFFAOYSA-N 2 1 374.532 4.282 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551007863 1102759333 /nfs/dbraw/zinc/75/93/33/1102759333.db2.gz SDUIRPOQLQZBRG-RTWAWAEBSA-N 2 1 368.521 4.062 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551007863 1102759342 /nfs/dbraw/zinc/75/93/42/1102759342.db2.gz SDUIRPOQLQZBRG-RTWAWAEBSA-N 2 1 368.521 4.062 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000123079124 1102765752 /nfs/dbraw/zinc/76/57/52/1102765752.db2.gz PICNTKHTRWTHFC-UHFFFAOYSA-N 2 1 374.960 4.166 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551004570 1102773057 /nfs/dbraw/zinc/77/30/57/1102773057.db2.gz BZGGFRQNIAGNPE-RPWUZVMVSA-N 3 1 365.565 4.454 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551004570 1102773065 /nfs/dbraw/zinc/77/30/65/1102773065.db2.gz BZGGFRQNIAGNPE-RPWUZVMVSA-N 3 1 365.565 4.454 20 0 FIADMP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)c2)cc1 ZINC000537692732 1102852226 /nfs/dbraw/zinc/85/22/26/1102852226.db2.gz MGKFADMEAGMBQX-KMDXXIMOSA-N 2 1 364.533 4.346 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1)C1CCCCC1 ZINC000459368992 1102941871 /nfs/dbraw/zinc/94/18/71/1102941871.db2.gz GMPAJNUQCFQKJV-UHFFFAOYSA-N 2 1 364.537 4.408 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459371796 1102943296 /nfs/dbraw/zinc/94/32/96/1102943296.db2.gz HELSAZPSDMENQW-UHFFFAOYSA-N 2 1 367.541 4.023 20 0 FIADMP CCOc1c(Cl)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000506924823 1102958228 /nfs/dbraw/zinc/95/82/28/1102958228.db2.gz BASNISHKBIQBCA-UHFFFAOYSA-N 2 1 366.933 4.055 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000476991790 1102995989 /nfs/dbraw/zinc/99/59/89/1102995989.db2.gz ZHYICLOVFRSDLI-INIZCTEOSA-N 2 1 359.489 4.443 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000476991790 1102995994 /nfs/dbraw/zinc/99/59/94/1102995994.db2.gz ZHYICLOVFRSDLI-INIZCTEOSA-N 2 1 359.489 4.443 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000426808529 1103004757 /nfs/dbraw/zinc/00/47/57/1103004757.db2.gz RWYGXRZPKPORJB-CALCHBBNSA-N 2 1 373.566 4.008 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265620 1103025463 /nfs/dbraw/zinc/02/54/63/1103025463.db2.gz WZSJKWBFFVXCFF-YTFSRNRJSA-N 2 1 368.565 4.084 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000551278107 1103037389 /nfs/dbraw/zinc/03/73/89/1103037389.db2.gz LQDIUFMTIJIFOF-YDPRHXJPSA-N 2 1 355.570 4.036 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000729682780 1103050222 /nfs/dbraw/zinc/05/02/22/1103050222.db2.gz KSQZGAGSNLUAEZ-QFIPXVFZSA-N 2 1 352.522 4.476 20 0 FIADMP CCOc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1O ZINC000459382718 1103105181 /nfs/dbraw/zinc/10/51/81/1103105181.db2.gz WXHIJUKBVBUZOO-GOSISDBHSA-N 2 1 368.521 4.313 20 0 FIADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(-n2ccnc2)cc1 ZINC000507313852 1103286938 /nfs/dbraw/zinc/28/69/38/1103286938.db2.gz FPDIBKDZKJJHCP-UHFFFAOYSA-N 2 1 371.488 4.327 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](Cc3ccccc3C)C3CC3)CCCC2)CC1 ZINC000551534790 1103336012 /nfs/dbraw/zinc/33/60/12/1103336012.db2.gz YRPKMOSZURFVOH-HSZRJFAPSA-N 2 1 370.581 4.329 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnc(C(C)(C)C)nc1 ZINC000551547819 1103343596 /nfs/dbraw/zinc/34/35/96/1103343596.db2.gz XSCIKCLAQQHBQA-GOSISDBHSA-N 2 1 366.553 4.438 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551547819 1103343606 /nfs/dbraw/zinc/34/36/06/1103343606.db2.gz XSCIKCLAQQHBQA-GOSISDBHSA-N 2 1 366.553 4.438 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000551547819 1103343622 /nfs/dbraw/zinc/34/36/22/1103343622.db2.gz XSCIKCLAQQHBQA-GOSISDBHSA-N 2 1 366.553 4.438 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cc1 ZINC000507446907 1103394431 /nfs/dbraw/zinc/39/44/31/1103394431.db2.gz GLAHNUKCMCNUHX-CYBMUJFWSA-N 2 1 359.395 4.491 20 0 FIADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000551749673 1103603291 /nfs/dbraw/zinc/60/32/91/1103603291.db2.gz GCTPSFDARJORMT-MRXNPFEDSA-N 2 1 365.949 4.028 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000551799111 1103644489 /nfs/dbraw/zinc/64/44/89/1103644489.db2.gz LGSXEAPOJXMUQU-GOSISDBHSA-N 2 1 366.553 4.296 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000551799111 1103644496 /nfs/dbraw/zinc/64/44/96/1103644496.db2.gz LGSXEAPOJXMUQU-GOSISDBHSA-N 2 1 366.553 4.296 20 0 FIADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1cccc(F)c1 ZINC000188001614 1103734514 /nfs/dbraw/zinc/73/45/14/1103734514.db2.gz AAONMSKJPJWWLZ-HXUWFJFHSA-N 2 1 359.489 4.383 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@@H](C)C1 ZINC000440688624 1103889724 /nfs/dbraw/zinc/88/97/24/1103889724.db2.gz GSRRJAVXKIBUAJ-AZUAARDMSA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@@H](C)C1 ZINC000440688624 1103889731 /nfs/dbraw/zinc/88/97/31/1103889731.db2.gz GSRRJAVXKIBUAJ-AZUAARDMSA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@@H](C)C1 ZINC000440688624 1103889738 /nfs/dbraw/zinc/88/97/38/1103889738.db2.gz GSRRJAVXKIBUAJ-AZUAARDMSA-N 2 1 362.521 4.163 20 0 FIADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000415983055 1103977700 /nfs/dbraw/zinc/97/77/00/1103977700.db2.gz YUYYPQUNPRVNMP-UHFFFAOYSA-N 2 1 368.525 4.089 20 0 FIADMP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000520228819 1104189561 /nfs/dbraw/zinc/18/95/61/1104189561.db2.gz LWORIQRRAZWKPQ-UHFFFAOYSA-N 2 1 368.912 4.218 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1)C(C)C ZINC000520367398 1104294271 /nfs/dbraw/zinc/29/42/71/1104294271.db2.gz UHLUMVMHXOBZJB-UHFFFAOYSA-N 2 1 373.585 4.253 20 0 FIADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441413466 1104339297 /nfs/dbraw/zinc/33/92/97/1104339297.db2.gz XOLSBLCUIFUXEX-QAPCUYQASA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441413466 1104339307 /nfs/dbraw/zinc/33/93/07/1104339307.db2.gz XOLSBLCUIFUXEX-QAPCUYQASA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441413466 1104339321 /nfs/dbraw/zinc/33/93/21/1104339321.db2.gz XOLSBLCUIFUXEX-QAPCUYQASA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)Oc1cccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441404536 1104344999 /nfs/dbraw/zinc/34/49/99/1104344999.db2.gz SWRMFXUHNWBXTA-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404536 1104345011 /nfs/dbraw/zinc/34/50/11/1104345011.db2.gz SWRMFXUHNWBXTA-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404536 1104345022 /nfs/dbraw/zinc/34/50/22/1104345022.db2.gz SWRMFXUHNWBXTA-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP CC(C[NH+](C)[C@@H](C)c1cccc(O)c1)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000112661936 1104392124 /nfs/dbraw/zinc/39/21/24/1104392124.db2.gz TTXPSQAFDMWTCM-ROUUACIJSA-N 2 1 356.510 4.420 20 0 FIADMP CC(C[NH+](C)[C@@H](C)c1cccc(O)c1)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000112661936 1104392135 /nfs/dbraw/zinc/39/21/35/1104392135.db2.gz TTXPSQAFDMWTCM-ROUUACIJSA-N 2 1 356.510 4.420 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190599196 1104947584 /nfs/dbraw/zinc/94/75/84/1104947584.db2.gz PDFGRXJTQQWAPA-BZNIZROVSA-N 2 1 368.344 4.393 20 0 FIADMP O=C(c1ccccc1F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168001914 1104955768 /nfs/dbraw/zinc/95/57/68/1104955768.db2.gz KLPQCTLWNPUONL-YOFSQIOKSA-N 2 1 370.512 4.126 20 0 FIADMP O=C(c1ccccc1F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001914 1104955772 /nfs/dbraw/zinc/95/57/72/1104955772.db2.gz KLPQCTLWNPUONL-YOFSQIOKSA-N 2 1 370.512 4.126 20 0 FIADMP COc1cccc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168002132 1104969654 /nfs/dbraw/zinc/96/96/54/1104969654.db2.gz NARYMBSKLRNZMT-IZCSPVGOSA-N 2 1 354.538 4.280 20 0 FIADMP COc1cccc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168002132 1104969660 /nfs/dbraw/zinc/96/96/60/1104969660.db2.gz NARYMBSKLRNZMT-IZCSPVGOSA-N 2 1 354.538 4.280 20 0 FIADMP COc1cccc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168002132 1104969661 /nfs/dbraw/zinc/96/96/61/1104969661.db2.gz NARYMBSKLRNZMT-IZCSPVGOSA-N 2 1 354.538 4.280 20 0 FIADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427591165 1104974740 /nfs/dbraw/zinc/97/47/40/1104974740.db2.gz HOTLYOJWDNGMLP-QGZVFWFLSA-N 2 1 355.448 4.189 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427600329 1105029494 /nfs/dbraw/zinc/02/94/94/1105029494.db2.gz SSXSDZABSMWZOQ-SFHVURJKSA-N 2 1 355.448 4.188 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375576 1105062169 /nfs/dbraw/zinc/06/21/69/1105062169.db2.gz PYOHKYIQFNZOEA-KBPBESRZSA-N 2 1 358.473 4.476 20 0 FIADMP C[C@@H]1CC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[C@@H](C)O1 ZINC000579545948 1105075458 /nfs/dbraw/zinc/07/54/58/1105075458.db2.gz KJYMRRHKUYUDRM-YPBQMLHOSA-N 2 1 356.554 4.223 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)O1 ZINC000579545947 1105075596 /nfs/dbraw/zinc/07/55/96/1105075596.db2.gz KJYMRRHKUYUDRM-XSQFVWFVSA-N 2 1 356.554 4.223 20 0 FIADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnc2ccccn21 ZINC001168006938 1105123408 /nfs/dbraw/zinc/12/34/08/1105123408.db2.gz PRTQOGJDBJLAMH-RCLSDMTESA-N 2 1 362.521 4.427 20 0 FIADMP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnc2ccccn21 ZINC001168006938 1105123411 /nfs/dbraw/zinc/12/34/11/1105123411.db2.gz PRTQOGJDBJLAMH-RCLSDMTESA-N 2 1 362.521 4.427 20 0 FIADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2cc(F)cc(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007284 1105130693 /nfs/dbraw/zinc/13/06/93/1105130693.db2.gz ADZCJJOZQJXOHV-YVWYUNDQSA-N 2 1 357.448 4.321 20 0 FIADMP Cc1n[nH]c(C)c1C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390595159 1106739450 /nfs/dbraw/zinc/73/94/50/1106739450.db2.gz VJRMDIORVXXEQM-UHFFFAOYSA-N 2 1 362.521 4.209 20 0 FIADMP C[C@H]1CC([N@H+](C2CCC2)C2CCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063968 1106828504 /nfs/dbraw/zinc/82/85/04/1106828504.db2.gz FUXVMSGHXOBFND-OALUTQOASA-N 2 1 356.554 4.462 20 0 FIADMP C[C@H]1CC([N@@H+](C2CCC2)C2CCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063968 1106828516 /nfs/dbraw/zinc/82/85/16/1106828516.db2.gz FUXVMSGHXOBFND-OALUTQOASA-N 2 1 356.554 4.462 20 0 FIADMP Brc1ccsc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918848 1106902628 /nfs/dbraw/zinc/90/26/28/1106902628.db2.gz XUHFQFCKURBYKG-OAHLLOKOSA-N 2 1 365.340 4.122 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)O1 ZINC000451171861 1106958795 /nfs/dbraw/zinc/95/87/95/1106958795.db2.gz ULFIRVXSCDESCE-MPIDBENGSA-N 2 1 362.945 4.409 20 0 FIADMP Cc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]c4ccccc34)CC2)oc1C ZINC000301291665 1106982653 /nfs/dbraw/zinc/98/26/53/1106982653.db2.gz WUECARQKUNWATK-UHFFFAOYSA-N 2 1 364.493 4.472 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451293056 1107011854 /nfs/dbraw/zinc/01/18/54/1107011854.db2.gz GLGFQMYEIAWASA-UHFFFAOYSA-N 2 1 372.460 4.327 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301388884 1107013438 /nfs/dbraw/zinc/01/34/38/1107013438.db2.gz XSLMAMCRPJDLOV-INIZCTEOSA-N 2 1 374.326 4.452 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530544687 1107127948 /nfs/dbraw/zinc/12/79/48/1107127948.db2.gz UQUPTBAOKNHDNC-KAGYGMCKSA-N 2 1 350.506 4.319 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C/c2ccc(Br)cc2)CC[N@@H+]1C ZINC000530666147 1107222811 /nfs/dbraw/zinc/22/28/11/1107222811.db2.gz TUYQRHVJPUBSJS-WFEZPHLISA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C/c2ccc(Br)cc2)CC[N@H+]1C ZINC000530666147 1107222822 /nfs/dbraw/zinc/22/28/22/1107222822.db2.gz TUYQRHVJPUBSJS-WFEZPHLISA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CC/C=C/c2ccc(Br)cc2)CC[NH+]1C ZINC000530666147 1107222829 /nfs/dbraw/zinc/22/28/29/1107222829.db2.gz TUYQRHVJPUBSJS-WFEZPHLISA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CC/C=C/c2ccc(Br)cc2)CC[NH+]1C ZINC000530666147 1107222843 /nfs/dbraw/zinc/22/28/43/1107222843.db2.gz TUYQRHVJPUBSJS-WFEZPHLISA-N 2 1 351.332 4.267 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144698 1107593674 /nfs/dbraw/zinc/59/36/74/1107593674.db2.gz RLYHZFNGTXAJNL-FQEVSTJZSA-N 2 1 374.532 4.313 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144698 1107593696 /nfs/dbraw/zinc/59/36/96/1107593696.db2.gz RLYHZFNGTXAJNL-FQEVSTJZSA-N 2 1 374.532 4.313 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144698 1107593711 /nfs/dbraw/zinc/59/37/11/1107593711.db2.gz RLYHZFNGTXAJNL-FQEVSTJZSA-N 2 1 374.532 4.313 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000531144698 1107593732 /nfs/dbraw/zinc/59/37/32/1107593732.db2.gz RLYHZFNGTXAJNL-FQEVSTJZSA-N 2 1 374.532 4.313 20 0 FIADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508108 1107906894 /nfs/dbraw/zinc/90/68/94/1107906894.db2.gz JQPIQWRNBCELHW-OLZOCXBDSA-N 2 1 363.299 4.330 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508108 1107906902 /nfs/dbraw/zinc/90/69/02/1107906902.db2.gz JQPIQWRNBCELHW-OLZOCXBDSA-N 2 1 363.299 4.330 20 0 FIADMP COc1ccc(CN2CCC[C@@H]([N@@H+](C)Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655848 1108049949 /nfs/dbraw/zinc/04/99/49/1108049949.db2.gz BDLSWMLWDAVVOA-OAQYLSRUSA-N 2 1 368.521 4.190 20 0 FIADMP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655848 1108049961 /nfs/dbraw/zinc/04/99/61/1108049961.db2.gz BDLSWMLWDAVVOA-OAQYLSRUSA-N 2 1 368.521 4.190 20 0 FIADMP COc1ccc(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655848 1108050012 /nfs/dbraw/zinc/05/00/12/1108050012.db2.gz BDLSWMLWDAVVOA-OAQYLSRUSA-N 2 1 368.521 4.190 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000444680501 1108084725 /nfs/dbraw/zinc/08/47/25/1108084725.db2.gz FVYRNIVYDUWCQI-GOSISDBHSA-N 2 1 369.578 4.015 20 0 FIADMP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000531723997 1108116072 /nfs/dbraw/zinc/11/60/72/1108116072.db2.gz HSXVKCLQZBRPEF-RPWUZVMVSA-N 2 1 364.533 4.469 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453069156 1108120296 /nfs/dbraw/zinc/12/02/96/1108120296.db2.gz YNSZJQSPODDLIX-OAQYLSRUSA-N 2 1 363.977 4.189 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cs1 ZINC000453071149 1108121864 /nfs/dbraw/zinc/12/18/64/1108121864.db2.gz CVARKYKNBJJPMX-NJDAHSKKSA-N 2 1 355.551 4.027 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000453097627 1108144747 /nfs/dbraw/zinc/14/47/47/1108144747.db2.gz XBHPBHZVEGGXTI-UYAOXDASSA-N 2 1 357.567 4.356 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000453097627 1108144749 /nfs/dbraw/zinc/14/47/49/1108144749.db2.gz XBHPBHZVEGGXTI-UYAOXDASSA-N 2 1 357.567 4.356 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000531785295 1108177478 /nfs/dbraw/zinc/17/74/78/1108177478.db2.gz WWFIRHXWVQWNMP-GHTZIAJQSA-N 2 1 367.537 4.225 20 0 FIADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453171635 1108246645 /nfs/dbraw/zinc/24/66/45/1108246645.db2.gz MNZCYZXXGGYSMO-ZJMJOCHXSA-N 2 1 367.537 4.428 20 0 FIADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453229986 1108303245 /nfs/dbraw/zinc/30/32/45/1108303245.db2.gz PLUJAIGXIQFFIN-JIARVOFWSA-N 2 1 352.444 4.360 20 0 FIADMP Clc1ccccc1C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCO1 ZINC000453231453 1108303614 /nfs/dbraw/zinc/30/36/14/1108303614.db2.gz WFFODLUMDRCEGG-OWQMCBFZSA-N 2 1 362.945 4.037 20 0 FIADMP Cc1cccnc1CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453303184 1108389831 /nfs/dbraw/zinc/38/98/31/1108389831.db2.gz BMZLHIGGTYNBEX-UHFFFAOYSA-N 2 1 351.538 4.355 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21)C1CC1 ZINC000453389409 1108476921 /nfs/dbraw/zinc/47/69/21/1108476921.db2.gz CHUUDVNLRZFJNW-QGZVFWFLSA-N 2 1 367.331 4.127 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)cc1 ZINC000531995116 1108525976 /nfs/dbraw/zinc/52/59/76/1108525976.db2.gz YTQYVTDSXMWUHT-QGZVFWFLSA-N 2 1 366.484 4.102 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000532201200 1108707951 /nfs/dbraw/zinc/70/79/51/1108707951.db2.gz WUHKMMKNPBRLIZ-INIZCTEOSA-N 2 1 369.372 4.450 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000532215689 1108715527 /nfs/dbraw/zinc/71/55/27/1108715527.db2.gz VUWIIHRBJWZARK-PXAZEXFGSA-N 2 1 369.372 4.306 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247902 1108726292 /nfs/dbraw/zinc/72/62/92/1108726292.db2.gz SRQAOQBITSWWSP-NMMYMHLASA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247902 1108726306 /nfs/dbraw/zinc/72/63/06/1108726306.db2.gz SRQAOQBITSWWSP-NMMYMHLASA-N 2 1 374.532 4.434 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3F)nc2C)c1 ZINC000655729619 1108790413 /nfs/dbraw/zinc/79/04/13/1108790413.db2.gz MEAYGEMXOQUGOU-UHFFFAOYSA-N 2 1 366.484 4.061 20 0 FIADMP c1[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nc1-c1ccccc1 ZINC000194226654 1108833047 /nfs/dbraw/zinc/83/30/47/1108833047.db2.gz JQGCXVOWWKXDGM-UHFFFAOYSA-N 2 1 360.505 4.352 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cncn2Cc2ccccc2)cc1 ZINC000445813163 1108997020 /nfs/dbraw/zinc/99/70/20/1108997020.db2.gz DRKYIZZJRZLTEI-GOSISDBHSA-N 2 1 371.488 4.276 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](CCC(C)C)c3ccoc3)CC2)nc(C)[nH+]1 ZINC000428442945 1109237376 /nfs/dbraw/zinc/23/73/76/1109237376.db2.gz WOVVRYGTVRWUDJ-HXUWFJFHSA-N 2 1 356.514 4.422 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(C)cc2)C2CCCC2)CC1 ZINC000446752991 1109329844 /nfs/dbraw/zinc/32/98/44/1109329844.db2.gz QTLHBFPSRNNMMB-HSZRJFAPSA-N 2 1 357.586 4.234 20 0 FIADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1Cl ZINC000446938955 1109395370 /nfs/dbraw/zinc/39/53/70/1109395370.db2.gz YQIZHXZRLMUOFC-MRXNPFEDSA-N 2 1 357.723 4.405 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000525490153 1109400746 /nfs/dbraw/zinc/40/07/46/1109400746.db2.gz GXNCYBSPTXDQNF-GOSISDBHSA-N 2 1 365.521 4.375 20 0 FIADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781291 1109516508 /nfs/dbraw/zinc/51/65/08/1109516508.db2.gz MDLZCBPUXLKESB-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP C[N@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781291 1109516514 /nfs/dbraw/zinc/51/65/14/1109516514.db2.gz MDLZCBPUXLKESB-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781291 1109516519 /nfs/dbraw/zinc/51/65/19/1109516519.db2.gz MDLZCBPUXLKESB-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781291 1109516522 /nfs/dbraw/zinc/51/65/22/1109516522.db2.gz MDLZCBPUXLKESB-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000447426979 1109537702 /nfs/dbraw/zinc/53/77/02/1109537702.db2.gz GVVJPIKCNZTHEN-INIZCTEOSA-N 2 1 371.550 4.436 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000447426979 1109537704 /nfs/dbraw/zinc/53/77/04/1109537704.db2.gz GVVJPIKCNZTHEN-INIZCTEOSA-N 2 1 371.550 4.436 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(Cl)c2)[C@H](C)C1 ZINC000525869924 1109546993 /nfs/dbraw/zinc/54/69/93/1109546993.db2.gz XCVPVLJGVWQTQO-HLIPFELVSA-N 2 1 352.950 4.170 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000447529367 1109563738 /nfs/dbraw/zinc/56/37/38/1109563738.db2.gz LUGWWXOGQILGTF-QGZVFWFLSA-N 2 1 370.493 4.293 20 0 FIADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2 ZINC000447510814 1109565992 /nfs/dbraw/zinc/56/59/92/1109565992.db2.gz JLZXYRHBTFZPLX-OAHLLOKOSA-N 2 1 362.514 4.041 20 0 FIADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000447513573 1109566252 /nfs/dbraw/zinc/56/62/52/1109566252.db2.gz XJJPJEXIMJTSCL-DNQXCXABSA-N 2 1 364.533 4.493 20 0 FIADMP CCCCn1cc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)n1 ZINC000447573971 1109578463 /nfs/dbraw/zinc/57/84/63/1109578463.db2.gz KDEWXYSUDDQTFV-NUNAXRQHSA-N 2 1 366.553 4.277 20 0 FIADMP CCCCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)n1 ZINC000447573971 1109578469 /nfs/dbraw/zinc/57/84/69/1109578469.db2.gz KDEWXYSUDDQTFV-NUNAXRQHSA-N 2 1 366.553 4.277 20 0 FIADMP CCCCn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)n1 ZINC000447573971 1109578471 /nfs/dbraw/zinc/57/84/71/1109578471.db2.gz KDEWXYSUDDQTFV-NUNAXRQHSA-N 2 1 366.553 4.277 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587044 1109588063 /nfs/dbraw/zinc/58/80/63/1109588063.db2.gz PYENBPMAUKTDRD-LNLFQRSKSA-N 2 1 370.493 4.018 20 0 FIADMP Fc1cccc(NCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000447601988 1109599061 /nfs/dbraw/zinc/59/90/61/1109599061.db2.gz RZJKEOXMVDOTMJ-NUNAXRQHSA-N 2 1 367.512 4.413 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000447609740 1109601917 /nfs/dbraw/zinc/60/19/17/1109601917.db2.gz YYLYZDCQRNIAQI-QDSKXPNFSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508605156 1109605555 /nfs/dbraw/zinc/60/55/55/1109605555.db2.gz RXVRMVURJYRYFV-CEXWTWQISA-N 2 1 357.542 4.118 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000447734051 1109635610 /nfs/dbraw/zinc/63/56/10/1109635610.db2.gz SIDJCKIRHGUYAZ-MGPUTAFESA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000447734051 1109635615 /nfs/dbraw/zinc/63/56/15/1109635615.db2.gz SIDJCKIRHGUYAZ-MGPUTAFESA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000447734051 1109635621 /nfs/dbraw/zinc/63/56/21/1109635621.db2.gz SIDJCKIRHGUYAZ-MGPUTAFESA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000447734051 1109635624 /nfs/dbraw/zinc/63/56/24/1109635624.db2.gz SIDJCKIRHGUYAZ-MGPUTAFESA-N 2 1 350.909 4.360 20 0 FIADMP CCN(Cc1ccnn1-c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448330830 1109773822 /nfs/dbraw/zinc/77/38/22/1109773822.db2.gz FUHSYQZULUUVCE-QFIPXVFZSA-N 2 1 374.532 4.216 20 0 FIADMP Brc1sccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000527631424 1109790400 /nfs/dbraw/zinc/79/04/00/1109790400.db2.gz IGCJEZPAOKLNRV-UHFFFAOYSA-N 2 1 365.340 4.396 20 0 FIADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)c(F)c2F)c1 ZINC000527635103 1109790962 /nfs/dbraw/zinc/79/09/62/1109790962.db2.gz VANMHCNZWBAQIC-UHFFFAOYSA-N 2 1 369.253 4.079 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527640607 1109792424 /nfs/dbraw/zinc/79/24/24/1109792424.db2.gz NFRMZBWEYVBEBW-DHIUTWEWSA-N 2 1 357.586 4.110 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cc(-c3ccccc3)n(C)n2)c1 ZINC000527857396 1109840294 /nfs/dbraw/zinc/84/02/94/1109840294.db2.gz AUVZNBVTRAZGSC-GOSISDBHSA-N 2 1 362.521 4.390 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)c1 ZINC000527857396 1109840303 /nfs/dbraw/zinc/84/03/03/1109840303.db2.gz AUVZNBVTRAZGSC-GOSISDBHSA-N 2 1 362.521 4.390 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)c1 ZINC000527857396 1109840308 /nfs/dbraw/zinc/84/03/08/1109840308.db2.gz AUVZNBVTRAZGSC-GOSISDBHSA-N 2 1 362.521 4.390 20 0 FIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2ncccc2F)ccc1OC ZINC000528036678 1109890049 /nfs/dbraw/zinc/89/00/49/1109890049.db2.gz XBYAMPVTIMSKPE-HOTGVXAUSA-N 2 1 359.489 4.483 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C2CC2)cn1 ZINC000528044826 1109897443 /nfs/dbraw/zinc/89/74/43/1109897443.db2.gz VMXIYVCPQDWDHW-QGCDCVKKSA-N 2 1 357.542 4.174 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cn1 ZINC000528044866 1109897743 /nfs/dbraw/zinc/89/77/43/1109897743.db2.gz VZSDJAAORDKGNB-ODOSVJCGSA-N 2 1 365.521 4.042 20 0 FIADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000449043899 1109966395 /nfs/dbraw/zinc/96/63/95/1109966395.db2.gz AJEDRZVTLKMUHV-NKKJXINNSA-N 2 1 364.533 4.346 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000449078710 1109974531 /nfs/dbraw/zinc/97/45/31/1109974531.db2.gz MQPAKICTYVJAGZ-UHFFFAOYSA-N 2 1 359.558 4.414 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449079057 1109974611 /nfs/dbraw/zinc/97/46/11/1109974611.db2.gz ZGJIQDWRPXHMFP-BZNIZROVSA-N 2 1 366.278 4.006 20 0 FIADMP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000449080045 1109974872 /nfs/dbraw/zinc/97/48/72/1109974872.db2.gz SEXANHNMFXKAMF-UHFFFAOYSA-N 2 1 373.585 4.205 20 0 FIADMP CSCC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000449103445 1109976536 /nfs/dbraw/zinc/97/65/36/1109976536.db2.gz AUDJEMUFVLLCKK-LXPRWKDFSA-N 2 1 352.613 4.472 20 0 FIADMP CSCC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000449103445 1109976538 /nfs/dbraw/zinc/97/65/38/1109976538.db2.gz AUDJEMUFVLLCKK-LXPRWKDFSA-N 2 1 352.613 4.472 20 0 FIADMP CCOCCC[N@H+]1CC[C@H](NCc2cc3ccccc3cc2OC)[C@H](C)C1 ZINC000449139405 1109983866 /nfs/dbraw/zinc/98/38/66/1109983866.db2.gz KYPIRVMERINKIL-GCJKJVERSA-N 2 1 370.537 4.075 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@H](C)C1 ZINC000449139405 1109983871 /nfs/dbraw/zinc/98/38/71/1109983871.db2.gz KYPIRVMERINKIL-GCJKJVERSA-N 2 1 370.537 4.075 20 0 FIADMP Cc1noc(C)c1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413877 1110056023 /nfs/dbraw/zinc/05/60/23/1110056023.db2.gz KMEOUSCMYXOVCF-JOCHJYFZSA-N 2 1 367.537 4.414 20 0 FIADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000449437461 1110078810 /nfs/dbraw/zinc/07/88/10/1110078810.db2.gz LOTKELWSWHLZPD-RHSMWYFYSA-N 2 1 355.448 4.233 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449542304 1110100736 /nfs/dbraw/zinc/10/07/36/1110100736.db2.gz QEPOCGOZVGMBBX-FCHUYYIVSA-N 2 1 367.537 4.050 20 0 FIADMP Cc1cc(OCCC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000449561485 1110110737 /nfs/dbraw/zinc/11/07/37/1110110737.db2.gz VPNZGKZFYFWUIN-CSNJMZFVSA-N 2 1 350.934 4.411 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1C(F)(F)F ZINC000528810704 1110119782 /nfs/dbraw/zinc/11/97/82/1110119782.db2.gz HFUXWOULAFCOBV-UHFFFAOYSA-N 2 1 351.416 4.184 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1 ZINC000538590566 1111212127 /nfs/dbraw/zinc/21/21/27/1111212127.db2.gz COIDAZZZGMCCMZ-GOSISDBHSA-N 2 1 372.475 4.493 20 0 FIADMP FC(F)Oc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799341 1111295665 /nfs/dbraw/zinc/29/56/65/1111295665.db2.gz ZXSBBEVLDQWTFO-WMLDXEAASA-N 2 1 370.871 4.390 20 0 FIADMP FC(F)Oc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799342 1111295960 /nfs/dbraw/zinc/29/59/60/1111295960.db2.gz ZXSBBEVLDQWTFO-YOEHRIQHSA-N 2 1 370.871 4.390 20 0 FIADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000461798068 1111359698 /nfs/dbraw/zinc/35/96/98/1111359698.db2.gz SZRQNIHBGAKDCO-QGZVFWFLSA-N 2 1 370.487 4.193 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccsc2S1 ZINC000539057479 1111404528 /nfs/dbraw/zinc/40/45/28/1111404528.db2.gz AUHWETZUWZBBRD-XDKFSHSGSA-N 2 1 366.596 4.031 20 0 FIADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000539065755 1111415398 /nfs/dbraw/zinc/41/53/98/1111415398.db2.gz KMMLLDWPWJKXOZ-JTSKRJEESA-N 2 1 356.485 4.156 20 0 FIADMP Clc1cc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c(Cl)c1 ZINC000477867464 1111583666 /nfs/dbraw/zinc/58/36/66/1111583666.db2.gz UCWSHUSEOJQNHC-HUUCEWRRSA-N 2 1 352.309 4.234 20 0 FIADMP COC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000477921193 1111609746 /nfs/dbraw/zinc/60/97/46/1111609746.db2.gz WHGGJGFBSJXPGB-KRWDZBQOSA-N 2 1 358.448 4.105 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H]2CCC[C@H]21 ZINC000552259548 1111638881 /nfs/dbraw/zinc/63/88/81/1111638881.db2.gz KSQCGVLKMKLHLB-FGTMMUONSA-N 2 1 361.942 4.426 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000552258326 1111639038 /nfs/dbraw/zinc/63/90/38/1111639038.db2.gz DMMDQSWACMCYPH-XFUTXVRSSA-N 2 1 352.444 4.414 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479356173 1111997735 /nfs/dbraw/zinc/99/77/35/1111997735.db2.gz DVNABYOSTFMRDD-KRWDZBQOSA-N 2 1 351.332 4.245 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479460997 1112031988 /nfs/dbraw/zinc/03/19/88/1112031988.db2.gz AGNNTGHITLJLQP-RXVVDRJESA-N 2 1 354.469 4.151 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)C2)cc1 ZINC000479462539 1112032725 /nfs/dbraw/zinc/03/27/25/1112032725.db2.gz GHJDIKSZNREOAQ-WMTXJRDZSA-N 2 1 364.533 4.266 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000479526123 1112053220 /nfs/dbraw/zinc/05/32/20/1112053220.db2.gz LAAQEFCAVKYUJD-GWWHBBDRSA-N 2 1 362.533 4.188 20 0 FIADMP Brc1cccc2c1CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479544893 1112063739 /nfs/dbraw/zinc/06/37/39/1112063739.db2.gz NNEYQNNPRMQNIT-ZOJXTTQQSA-N 2 1 363.343 4.433 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000479899731 1112181126 /nfs/dbraw/zinc/18/11/26/1112181126.db2.gz ROGZYQFXTHAWAC-HSZRJFAPSA-N 2 1 352.522 4.396 20 0 FIADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554087067 1112198086 /nfs/dbraw/zinc/19/80/86/1112198086.db2.gz UJDROACQUPLQJW-BHDDXSALSA-N 2 1 358.570 4.330 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000480148048 1112302492 /nfs/dbraw/zinc/30/24/92/1112302492.db2.gz PQIWXWQFOQNZJG-QPPBQGQZSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000480148048 1112302497 /nfs/dbraw/zinc/30/24/97/1112302497.db2.gz PQIWXWQFOQNZJG-QPPBQGQZSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000480148048 1112302503 /nfs/dbraw/zinc/30/25/03/1112302503.db2.gz PQIWXWQFOQNZJG-QPPBQGQZSA-N 3 1 365.565 4.009 20 0 FIADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCCC(C)C ZINC000480228899 1112340487 /nfs/dbraw/zinc/34/04/87/1112340487.db2.gz KLRQQJXJQOVZJN-KRWDZBQOSA-N 2 1 360.542 4.398 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC000480234550 1112344167 /nfs/dbraw/zinc/34/41/67/1112344167.db2.gz SCVHGKBTFZVFIX-GLDPYIMESA-N 2 1 364.533 4.381 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000480276423 1112357340 /nfs/dbraw/zinc/35/73/40/1112357340.db2.gz HLKGDKDCQUGFIV-MRXNPFEDSA-N 2 1 372.484 4.290 20 0 FIADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000480277623 1112370655 /nfs/dbraw/zinc/37/06/55/1112370655.db2.gz KXEPWGYQCRODMM-GOSISDBHSA-N 2 1 368.521 4.111 20 0 FIADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000480277623 1112370660 /nfs/dbraw/zinc/37/06/60/1112370660.db2.gz KXEPWGYQCRODMM-GOSISDBHSA-N 2 1 368.521 4.111 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cn1 ZINC000480339175 1112387493 /nfs/dbraw/zinc/38/74/93/1112387493.db2.gz WCMYNHHRCYILLO-IXDOHACOSA-N 2 1 373.928 4.195 20 0 FIADMP c1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000554622126 1112422234 /nfs/dbraw/zinc/42/22/34/1112422234.db2.gz NRTUTXMZCXIHJZ-UHFFFAOYSA-N 2 1 355.570 4.038 20 0 FIADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000667726127 1112550234 /nfs/dbraw/zinc/55/02/34/1112550234.db2.gz LFURHJHAGQXPPJ-UHFFFAOYSA-N 2 1 368.525 4.089 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccccc1 ZINC000480736897 1112570045 /nfs/dbraw/zinc/57/00/45/1112570045.db2.gz HWRHJOQGTBCJNX-HSZRJFAPSA-N 2 1 351.538 4.065 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000480768027 1112586761 /nfs/dbraw/zinc/58/67/61/1112586761.db2.gz JFNNQAIWONZOIE-GOSISDBHSA-N 2 1 350.506 4.075 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554993510 1112604709 /nfs/dbraw/zinc/60/47/09/1112604709.db2.gz BZVQMSKNBJWLDF-PZJWPPBQSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554993510 1112604715 /nfs/dbraw/zinc/60/47/15/1112604715.db2.gz BZVQMSKNBJWLDF-PZJWPPBQSA-N 2 1 351.538 4.310 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000480832547 1112631982 /nfs/dbraw/zinc/63/19/82/1112631982.db2.gz KDTYQFKZPXUHBQ-YYDVJCTNSA-N 2 1 370.512 4.394 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308040 1112882009 /nfs/dbraw/zinc/88/20/09/1112882009.db2.gz AFOPMMRLTRKIRB-PGRDOPGGSA-N 2 1 356.485 4.050 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)cc1F ZINC000481542405 1112973547 /nfs/dbraw/zinc/97/35/47/1112973547.db2.gz JKQLTHPXDAJMMK-ZSEKCTLFSA-N 2 1 353.416 4.482 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1C ZINC000481549232 1112974955 /nfs/dbraw/zinc/97/49/55/1112974955.db2.gz WRVPYQSHAQPDMW-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1C ZINC000481549232 1112974956 /nfs/dbraw/zinc/97/49/56/1112974956.db2.gz WRVPYQSHAQPDMW-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1C ZINC000481582957 1112989284 /nfs/dbraw/zinc/98/92/84/1112989284.db2.gz PKVJWPKEJIYUFQ-QUCCMNQESA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1C ZINC000481582957 1112989287 /nfs/dbraw/zinc/98/92/87/1112989287.db2.gz PKVJWPKEJIYUFQ-QUCCMNQESA-N 2 1 352.522 4.375 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000481724326 1113055966 /nfs/dbraw/zinc/05/59/66/1113055966.db2.gz HCDHCLYXIZTPKB-XXBNENTESA-N 2 1 359.517 4.278 20 0 FIADMP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000481910017 1113135246 /nfs/dbraw/zinc/13/52/46/1113135246.db2.gz KPHWUEKRYPZSED-HSZRJFAPSA-N 2 1 364.533 4.421 20 0 FIADMP CCc1cccc(CC)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482120137 1113181307 /nfs/dbraw/zinc/18/13/07/1113181307.db2.gz AHMDKGGKLWEMRN-SFTDATJTSA-N 2 1 373.585 4.240 20 0 FIADMP C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482220802 1113202639 /nfs/dbraw/zinc/20/26/39/1113202639.db2.gz NPJLHWSDVKZDCZ-CVDCTZTESA-N 2 1 364.533 4.054 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244274 1113208370 /nfs/dbraw/zinc/20/83/70/1113208370.db2.gz XANXPFAUKKAMLY-XXBNENTESA-N 2 1 364.533 4.054 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244274 1113208372 /nfs/dbraw/zinc/20/83/72/1113208372.db2.gz XANXPFAUKKAMLY-XXBNENTESA-N 2 1 364.533 4.054 20 0 FIADMP CC(C)Sc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482357226 1113231996 /nfs/dbraw/zinc/23/19/96/1113231996.db2.gz XMXZWLRTDYDOMW-SFHVURJKSA-N 2 1 363.615 4.111 20 0 FIADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482433518 1113253150 /nfs/dbraw/zinc/25/31/50/1113253150.db2.gz CQVITDHMPOKKQA-PZJWPPBQSA-N 2 1 352.522 4.301 20 0 FIADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482433518 1113253153 /nfs/dbraw/zinc/25/31/53/1113253153.db2.gz CQVITDHMPOKKQA-PZJWPPBQSA-N 2 1 352.522 4.301 20 0 FIADMP COCC[N@@H+](C)CC[C@@H](N[C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453642 1113264083 /nfs/dbraw/zinc/26/40/83/1113264083.db2.gz CGCAISJRRAVAOE-PKTZIBPZSA-N 2 1 352.522 4.282 20 0 FIADMP COCCN(C)CC[C@@H]([NH2+][C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453642 1113264086 /nfs/dbraw/zinc/26/40/86/1113264086.db2.gz CGCAISJRRAVAOE-PKTZIBPZSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453642 1113264088 /nfs/dbraw/zinc/26/40/88/1113264088.db2.gz CGCAISJRRAVAOE-PKTZIBPZSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453642 1113264094 /nfs/dbraw/zinc/26/40/94/1113264094.db2.gz CGCAISJRRAVAOE-PKTZIBPZSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453354 1113264936 /nfs/dbraw/zinc/26/49/36/1113264936.db2.gz VFFMNLQTNAKZRZ-PKTZIBPZSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453354 1113264942 /nfs/dbraw/zinc/26/49/42/1113264942.db2.gz VFFMNLQTNAKZRZ-PKTZIBPZSA-N 2 1 352.522 4.282 20 0 FIADMP Clc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCC2 ZINC000482540779 1113287877 /nfs/dbraw/zinc/28/78/77/1113287877.db2.gz UWOUWIMKQSBMCD-HXUWFJFHSA-N 2 1 362.945 4.342 20 0 FIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000482678087 1113328878 /nfs/dbraw/zinc/32/88/78/1113328878.db2.gz JZGMKTKCBULESQ-HXUWFJFHSA-N 2 1 368.569 4.050 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000482678087 1113328884 /nfs/dbraw/zinc/32/88/84/1113328884.db2.gz JZGMKTKCBULESQ-HXUWFJFHSA-N 2 1 368.569 4.050 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000482875433 1113386732 /nfs/dbraw/zinc/38/67/32/1113386732.db2.gz LWLGAGSLTNHIFF-XXBNENTESA-N 2 1 352.522 4.241 20 0 FIADMP CC(C)CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000482889574 1113390343 /nfs/dbraw/zinc/39/03/43/1113390343.db2.gz UYUDUCVHMVGYRY-QFIPXVFZSA-N 2 1 373.585 4.086 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2cccs2)cc1 ZINC000482898714 1113395007 /nfs/dbraw/zinc/39/50/07/1113395007.db2.gz ZLAPUQWUVSUCBJ-YLJYHZDGSA-N 2 1 358.551 4.303 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169757 1113403803 /nfs/dbraw/zinc/40/38/03/1113403803.db2.gz ZAOZLJYGCFNBIO-FQEVSTJZSA-N 2 1 355.551 4.282 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000668169758 1113403856 /nfs/dbraw/zinc/40/38/56/1113403856.db2.gz ZAOZLJYGCFNBIO-HXUWFJFHSA-N 2 1 355.551 4.282 20 0 FIADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000483217463 1113467275 /nfs/dbraw/zinc/46/72/75/1113467275.db2.gz NARVESHVJJIGKT-FQEVSTJZSA-N 2 1 357.586 4.184 20 0 FIADMP Cc1ccccc1[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483217463 1113467278 /nfs/dbraw/zinc/46/72/78/1113467278.db2.gz NARVESHVJJIGKT-FQEVSTJZSA-N 3 1 357.586 4.184 20 0 FIADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483217463 1113467282 /nfs/dbraw/zinc/46/72/82/1113467282.db2.gz NARVESHVJJIGKT-FQEVSTJZSA-N 3 1 357.586 4.184 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486511422 1113584918 /nfs/dbraw/zinc/58/49/18/1113584918.db2.gz ZBNHCLCLSJMNNH-NQIIRXRSSA-N 2 1 360.505 4.077 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486511422 1113584921 /nfs/dbraw/zinc/58/49/21/1113584921.db2.gz ZBNHCLCLSJMNNH-NQIIRXRSSA-N 2 1 360.505 4.077 20 0 FIADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000486925134 1113677346 /nfs/dbraw/zinc/67/73/46/1113677346.db2.gz LBCWONLLSVMSGY-KRWDZBQOSA-N 2 1 362.514 4.288 20 0 FIADMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000486925134 1113677348 /nfs/dbraw/zinc/67/73/48/1113677348.db2.gz LBCWONLLSVMSGY-KRWDZBQOSA-N 2 1 362.514 4.288 20 0 FIADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000486980960 1113690240 /nfs/dbraw/zinc/69/02/40/1113690240.db2.gz PVOTWZPVODWEGU-UHFFFAOYSA-N 2 1 366.431 4.061 20 0 FIADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488135389 1113860828 /nfs/dbraw/zinc/86/08/28/1113860828.db2.gz DLCKVKNPBNOMCC-AWEZNQCLSA-N 2 1 352.309 4.224 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571165908 1114441351 /nfs/dbraw/zinc/44/13/51/1114441351.db2.gz UUNMYSHHMZFOCF-OALUTQOASA-N 2 1 371.569 4.193 20 0 FIADMP CC[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)OCCc2ccccc21 ZINC000571485034 1114468307 /nfs/dbraw/zinc/46/83/07/1114468307.db2.gz CPZIFPVGNHNGNQ-XMMPIXPASA-N 2 1 364.533 4.119 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000572413477 1114637045 /nfs/dbraw/zinc/63/70/45/1114637045.db2.gz FYUYSDYVQWGNHY-UHFFFAOYSA-N 2 1 370.522 4.497 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000572413477 1114637048 /nfs/dbraw/zinc/63/70/48/1114637048.db2.gz FYUYSDYVQWGNHY-UHFFFAOYSA-N 2 1 370.522 4.497 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000589640967 1114818953 /nfs/dbraw/zinc/81/89/53/1114818953.db2.gz AQUQWJODCSNOGT-SFHVURJKSA-N 2 1 362.521 4.238 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000589640967 1114818955 /nfs/dbraw/zinc/81/89/55/1114818955.db2.gz AQUQWJODCSNOGT-SFHVURJKSA-N 2 1 362.521 4.238 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nn(C)c4ccccc34)cc2)C1 ZINC000589641094 1114819019 /nfs/dbraw/zinc/81/90/19/1114819019.db2.gz RZZOOLBKQJYONE-GOSISDBHSA-N 2 1 362.521 4.095 20 0 FIADMP CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999491 1114872530 /nfs/dbraw/zinc/87/25/30/1114872530.db2.gz LTKIXLSRGBICMI-UHFFFAOYSA-N 2 1 373.928 4.171 20 0 FIADMP CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999491 1114872532 /nfs/dbraw/zinc/87/25/32/1114872532.db2.gz LTKIXLSRGBICMI-UHFFFAOYSA-N 2 1 373.928 4.171 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000589993837 1114872676 /nfs/dbraw/zinc/87/26/76/1114872676.db2.gz LPZAWTUFTOPPSH-NRFANRHFSA-N 2 1 353.510 4.160 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000589993837 1114872678 /nfs/dbraw/zinc/87/26/78/1114872678.db2.gz LPZAWTUFTOPPSH-NRFANRHFSA-N 2 1 353.510 4.160 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000590786579 1114974097 /nfs/dbraw/zinc/97/40/97/1114974097.db2.gz HXAQGWJJGLGOBI-UHFFFAOYSA-N 2 1 359.341 4.424 20 0 FIADMP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)cc1F ZINC000590786655 1114974201 /nfs/dbraw/zinc/97/42/01/1114974201.db2.gz LHJOAUTYEUPBGD-INIZCTEOSA-N 2 1 374.504 4.297 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000591700562 1115125127 /nfs/dbraw/zinc/12/51/27/1115125127.db2.gz LABTYRFBLMUGSA-KRWDZBQOSA-N 2 1 367.468 4.336 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593685899 1115339090 /nfs/dbraw/zinc/33/90/90/1115339090.db2.gz BUCSQQXWCTTWPI-VQTJNVASSA-N 2 1 358.526 4.021 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168402758 1115341094 /nfs/dbraw/zinc/34/10/94/1115341094.db2.gz GTPQLMDLBXBKMO-NLSFWIRASA-N 2 1 352.497 4.326 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001168402758 1115341096 /nfs/dbraw/zinc/34/10/96/1115341096.db2.gz GTPQLMDLBXBKMO-NLSFWIRASA-N 2 1 352.497 4.326 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000593972883 1115364573 /nfs/dbraw/zinc/36/45/73/1115364573.db2.gz NZKZJVLSHZQBOY-QFIPXVFZSA-N 2 1 371.569 4.009 20 0 FIADMP COC1CCC(C)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574451580 1115383971 /nfs/dbraw/zinc/38/39/71/1115383971.db2.gz BRLAMDCBZMFYJP-ITAUSPCMSA-N 2 1 356.554 4.369 20 0 FIADMP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574451580 1115383974 /nfs/dbraw/zinc/38/39/74/1115383974.db2.gz BRLAMDCBZMFYJP-ITAUSPCMSA-N 2 1 356.554 4.369 20 0 FIADMP FC(F)(F)[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761049510 1115405503 /nfs/dbraw/zinc/40/55/03/1115405503.db2.gz HWYYWNKAPHDNIB-OKILXGFUSA-N 2 1 360.386 4.315 20 0 FIADMP FC(F)(F)[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761049510 1115405504 /nfs/dbraw/zinc/40/55/04/1115405504.db2.gz HWYYWNKAPHDNIB-OKILXGFUSA-N 2 1 360.386 4.315 20 0 FIADMP FC(F)(F)[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761049510 1115405505 /nfs/dbraw/zinc/40/55/05/1115405505.db2.gz HWYYWNKAPHDNIB-OKILXGFUSA-N 2 1 360.386 4.315 20 0 FIADMP Oc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574916595 1115514287 /nfs/dbraw/zinc/51/42/87/1115514287.db2.gz XHAYILBOYGLIKC-NRFANRHFSA-N 2 1 350.506 4.112 20 0 FIADMP Oc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574916595 1115514290 /nfs/dbraw/zinc/51/42/90/1115514290.db2.gz XHAYILBOYGLIKC-NRFANRHFSA-N 2 1 350.506 4.112 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1)C(C)C ZINC000575045091 1115531062 /nfs/dbraw/zinc/53/10/62/1115531062.db2.gz PIIFHUPQAKEIDG-JOCHJYFZSA-N 2 1 367.537 4.127 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1F ZINC000669679743 1115774395 /nfs/dbraw/zinc/77/43/95/1115774395.db2.gz VREAUEZJUMILFJ-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168422682 1116004298 /nfs/dbraw/zinc/00/42/98/1116004298.db2.gz ZUWWLVOCIKQKEL-MQNAVGNWSA-N 2 1 352.497 4.183 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168422682 1116004299 /nfs/dbraw/zinc/00/42/99/1116004299.db2.gz ZUWWLVOCIKQKEL-MQNAVGNWSA-N 2 1 352.497 4.183 20 0 FIADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1 ZINC000608061470 1116079680 /nfs/dbraw/zinc/07/96/80/1116079680.db2.gz DZYBTZVTNFSIIU-SJLPKXTDSA-N 2 1 370.493 4.068 20 0 FIADMP Cc1cc(C)cc(-c2ccc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cc2)c1 ZINC000608056022 1116082116 /nfs/dbraw/zinc/08/21/16/1116082116.db2.gz WGFJXSCYUBUEFJ-UHFFFAOYSA-N 2 1 365.565 4.088 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000534332157 1116185767 /nfs/dbraw/zinc/18/57/67/1116185767.db2.gz PZJUGXQSZQCIEH-HSZRJFAPSA-N 2 1 374.569 4.188 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC[N@@H+]1C ZINC000534792644 1116236946 /nfs/dbraw/zinc/23/69/46/1116236946.db2.gz AHFIAPHDIXHPIH-SIVJFFJCSA-N 2 1 357.723 4.162 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC[N@H+]1C ZINC000534792644 1116236947 /nfs/dbraw/zinc/23/69/47/1116236947.db2.gz AHFIAPHDIXHPIH-SIVJFFJCSA-N 2 1 357.723 4.162 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC[N@@H+]1C ZINC000534792640 1116237058 /nfs/dbraw/zinc/23/70/58/1116237058.db2.gz AHFIAPHDIXHPIH-NSODJVPESA-N 2 1 357.723 4.162 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC[N@H+]1C ZINC000534792640 1116237060 /nfs/dbraw/zinc/23/70/60/1116237060.db2.gz AHFIAPHDIXHPIH-NSODJVPESA-N 2 1 357.723 4.162 20 0 FIADMP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000534794988 1116237622 /nfs/dbraw/zinc/23/76/22/1116237622.db2.gz SRSPEYCNHFYERY-PIGZYNQJSA-N 2 1 369.734 4.164 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509440 1116313884 /nfs/dbraw/zinc/31/38/84/1116313884.db2.gz SHXQKIBYBULFRR-MEDUHNTESA-N 2 1 357.723 4.021 20 0 FIADMP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000539682149 1116364072 /nfs/dbraw/zinc/36/40/72/1116364072.db2.gz JCHIDOGGFMNFLC-FCHUYYIVSA-N 2 1 362.533 4.016 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C)C1 ZINC000539819627 1116385237 /nfs/dbraw/zinc/38/52/37/1116385237.db2.gz NXXBEJFDHWZQLB-RXVVDRJESA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C)C1 ZINC000539819627 1116385238 /nfs/dbraw/zinc/38/52/38/1116385238.db2.gz NXXBEJFDHWZQLB-RXVVDRJESA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C)C1 ZINC000539819627 1116385239 /nfs/dbraw/zinc/38/52/39/1116385239.db2.gz NXXBEJFDHWZQLB-RXVVDRJESA-N 2 1 353.510 4.344 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898424 1117740203 /nfs/dbraw/zinc/74/02/03/1117740203.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000539898424 1117740207 /nfs/dbraw/zinc/74/02/07/1117740207.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000539898424 1117740209 /nfs/dbraw/zinc/74/02/09/1117740209.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 2 1 369.597 4.093 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1)CC1CC1 ZINC000540049699 1117829306 /nfs/dbraw/zinc/82/93/06/1117829306.db2.gz QDBLNIBHBUUPOU-UHFFFAOYSA-N 2 1 367.537 4.274 20 0 FIADMP Cc1cc(CC[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1Cl ZINC000462913815 1117858021 /nfs/dbraw/zinc/85/80/21/1117858021.db2.gz QZXSGUBYGQUNMU-UHFFFAOYSA-N 2 1 363.958 4.204 20 0 FIADMP Cc1cc(CC[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1Cl ZINC000462913815 1117858027 /nfs/dbraw/zinc/85/80/27/1117858027.db2.gz QZXSGUBYGQUNMU-UHFFFAOYSA-N 2 1 363.958 4.204 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)[C@@H](C)C1 ZINC000540141165 1117894186 /nfs/dbraw/zinc/89/41/86/1117894186.db2.gz FIABDWFHQDPNLS-HTAPYJJXSA-N 2 1 356.485 4.225 20 0 FIADMP COc1cccc(C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)c2ccccc2)c1 ZINC000540166510 1117910577 /nfs/dbraw/zinc/91/05/77/1117910577.db2.gz FKCQYVRWKOQPMD-MBSDFSHPSA-N 2 1 363.505 4.410 20 0 FIADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000463026489 1117921435 /nfs/dbraw/zinc/92/14/35/1117921435.db2.gz YTJRCGJXDCTHOA-QXAKKESOSA-N 2 1 350.572 4.142 20 0 FIADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000463026489 1117921438 /nfs/dbraw/zinc/92/14/38/1117921438.db2.gz YTJRCGJXDCTHOA-QXAKKESOSA-N 2 1 350.572 4.142 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCn2cnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463080684 1117953290 /nfs/dbraw/zinc/95/32/90/1117953290.db2.gz DDDBCZKZTASXQS-TZIWHRDSSA-N 2 1 362.521 4.069 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000463080684 1117953291 /nfs/dbraw/zinc/95/32/91/1117953291.db2.gz DDDBCZKZTASXQS-TZIWHRDSSA-N 2 1 362.521 4.069 20 0 FIADMP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463068311 1117954280 /nfs/dbraw/zinc/95/42/80/1117954280.db2.gz RDGWOCIEMPGCKL-LJQANCHMSA-N 2 1 354.513 4.362 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074796 1117959003 /nfs/dbraw/zinc/95/90/03/1117959003.db2.gz IZJFYACBMKLKRG-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074796 1117959006 /nfs/dbraw/zinc/95/90/06/1117959006.db2.gz IZJFYACBMKLKRG-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463077533 1117959873 /nfs/dbraw/zinc/95/98/73/1117959873.db2.gz JMQJROKVFSIEFN-KRWDZBQOSA-N 2 1 374.475 4.029 20 0 FIADMP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463077939 1117960112 /nfs/dbraw/zinc/96/01/12/1117960112.db2.gz UFMAUASPPVDZAA-KRWDZBQOSA-N 2 1 358.476 4.193 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000540258263 1117961941 /nfs/dbraw/zinc/96/19/41/1117961941.db2.gz FVAUDQYNXJYROR-JXFKEZNVSA-N 2 1 359.514 4.475 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259518 1117961997 /nfs/dbraw/zinc/96/19/97/1117961997.db2.gz WIRZALDCGGUYHY-CVEARBPZSA-N 2 1 362.949 4.389 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463106574 1117967162 /nfs/dbraw/zinc/96/71/62/1117967162.db2.gz AOTININTOOQWIE-QUCCMNQESA-N 2 1 357.567 4.417 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463106574 1117967165 /nfs/dbraw/zinc/96/71/65/1117967165.db2.gz AOTININTOOQWIE-QUCCMNQESA-N 2 1 357.567 4.417 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1Cc1ccccc1 ZINC000463106906 1117967319 /nfs/dbraw/zinc/96/73/19/1117967319.db2.gz BRNONAJCSCEKSD-GCJKJVERSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000463106906 1117967320 /nfs/dbraw/zinc/96/73/20/1117967320.db2.gz BRNONAJCSCEKSD-GCJKJVERSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000463106906 1117967323 /nfs/dbraw/zinc/96/73/23/1117967323.db2.gz BRNONAJCSCEKSD-GCJKJVERSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000463112203 1117969548 /nfs/dbraw/zinc/96/95/48/1117969548.db2.gz TUNQLRSYZAQSIQ-NZQKXSOJSA-N 2 1 374.532 4.058 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1Cc1ccccc1 ZINC000463112203 1117969551 /nfs/dbraw/zinc/96/95/51/1117969551.db2.gz TUNQLRSYZAQSIQ-NZQKXSOJSA-N 2 1 374.532 4.058 20 0 FIADMP COc1ccccc1C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463113200 1117969622 /nfs/dbraw/zinc/96/96/22/1117969622.db2.gz AGOGTHPIAHWTFF-UHFFFAOYSA-N 2 1 364.533 4.024 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463114587 1117971230 /nfs/dbraw/zinc/97/12/30/1117971230.db2.gz GELSWFKWTCKXFB-FPOVZHCZSA-N 2 1 364.533 4.370 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463114587 1117971235 /nfs/dbraw/zinc/97/12/35/1117971235.db2.gz GELSWFKWTCKXFB-FPOVZHCZSA-N 2 1 364.533 4.370 20 0 FIADMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463277932 1118066333 /nfs/dbraw/zinc/06/63/33/1118066333.db2.gz AHDAKPWHDWPFCK-HXUWFJFHSA-N 2 1 366.549 4.171 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000463291124 1118085952 /nfs/dbraw/zinc/08/59/52/1118085952.db2.gz WAXNSURLYBTVQS-JDBUVZGPSA-N 2 1 365.565 4.321 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1F ZINC000540989946 1118339815 /nfs/dbraw/zinc/33/98/15/1118339815.db2.gz ALMLWZRMPZHMAE-APWZRJJASA-N 2 1 356.913 4.003 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000541534448 1118552821 /nfs/dbraw/zinc/55/28/21/1118552821.db2.gz QGPDSSHRIFDJQD-CRAIPNDOSA-N 2 1 350.441 4.093 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000541565517 1118556558 /nfs/dbraw/zinc/55/65/58/1118556558.db2.gz CGCYKISBFVTLHT-YCRPNKLZSA-N 2 1 352.457 4.049 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000541553071 1118560569 /nfs/dbraw/zinc/56/05/69/1118560569.db2.gz YYBBRSBEUMSZCP-KGVIQGDOSA-N 2 1 370.516 4.053 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000541553071 1118560570 /nfs/dbraw/zinc/56/05/70/1118560570.db2.gz YYBBRSBEUMSZCP-KGVIQGDOSA-N 2 1 370.516 4.053 20 0 FIADMP CS[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)C ZINC000541553705 1118561365 /nfs/dbraw/zinc/56/13/65/1118561365.db2.gz TZLQVWSZYOMTJZ-IBGZPJMESA-N 2 1 352.563 4.200 20 0 FIADMP COC1CCC(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000541739684 1118627741 /nfs/dbraw/zinc/62/77/41/1118627741.db2.gz AZNIPRQDSCZNOF-UHFFFAOYSA-N 2 1 362.533 4.018 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439306 1118688889 /nfs/dbraw/zinc/68/88/89/1118688889.db2.gz SIOWNZKDICUELZ-HSZRJFAPSA-N 2 1 352.497 4.279 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000541909456 1118697299 /nfs/dbraw/zinc/69/72/99/1118697299.db2.gz KQXZFGFQAWMDJI-AWEZNQCLSA-N 2 1 363.299 4.093 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000541909456 1118697301 /nfs/dbraw/zinc/69/73/01/1118697301.db2.gz KQXZFGFQAWMDJI-AWEZNQCLSA-N 2 1 363.299 4.093 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793203 1118700208 /nfs/dbraw/zinc/70/02/08/1118700208.db2.gz YISJWSYGYMEARL-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793203 1118700209 /nfs/dbraw/zinc/70/02/09/1118700209.db2.gz YISJWSYGYMEARL-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793203 1118700213 /nfs/dbraw/zinc/70/02/13/1118700213.db2.gz YISJWSYGYMEARL-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793203 1118700215 /nfs/dbraw/zinc/70/02/15/1118700215.db2.gz YISJWSYGYMEARL-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000542086377 1118783199 /nfs/dbraw/zinc/78/31/99/1118783199.db2.gz YXDMUOANGQHJGL-NRFANRHFSA-N 2 1 364.961 4.398 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000542131249 1118808507 /nfs/dbraw/zinc/80/85/07/1118808507.db2.gz AAADUVAJQXMVGK-UHFFFAOYSA-N 2 1 358.913 4.405 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000151672432 1118959860 /nfs/dbraw/zinc/95/98/60/1118959860.db2.gz FSYAEVCKSCLFNQ-IBGZPJMESA-N 2 1 360.505 4.188 20 0 FIADMP C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492371741 1119080929 /nfs/dbraw/zinc/08/09/29/1119080929.db2.gz DQPRDTFOJCZCMD-ICSRJNTNSA-N 2 1 356.485 4.095 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000175515158 1119211453 /nfs/dbraw/zinc/21/14/53/1119211453.db2.gz MGRFDDCSMOGKQF-KSZLIROESA-N 2 1 368.525 4.255 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000175515158 1119211456 /nfs/dbraw/zinc/21/14/56/1119211456.db2.gz MGRFDDCSMOGKQF-KSZLIROESA-N 2 1 368.525 4.255 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000178253574 1119380799 /nfs/dbraw/zinc/38/07/99/1119380799.db2.gz JROLSTTXTQYRTN-OAHLLOKOSA-N 2 1 372.944 4.359 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311590937 1119380818 /nfs/dbraw/zinc/38/08/18/1119380818.db2.gz AKZSJXYWOBYVSF-WOIUINJBSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817345 1119390645 /nfs/dbraw/zinc/39/06/45/1119390645.db2.gz PSSUEVXMTNUIIS-AEFFLSMTSA-N 2 1 360.448 4.461 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817345 1119390647 /nfs/dbraw/zinc/39/06/47/1119390647.db2.gz PSSUEVXMTNUIIS-AEFFLSMTSA-N 2 1 360.448 4.461 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000542471891 1119522720 /nfs/dbraw/zinc/52/27/20/1119522720.db2.gz VKFHAQCJSPXNMF-VGOFRKELSA-N 2 1 363.505 4.275 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc2)cc1 ZINC000494074554 1119537481 /nfs/dbraw/zinc/53/74/81/1119537481.db2.gz GNYYLKNNQKVUFR-WXFUMESZSA-N 2 1 364.533 4.052 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000152538153 1119544077 /nfs/dbraw/zinc/54/40/77/1119544077.db2.gz BPKZFAHCSVLGDD-QUCCMNQESA-N 2 1 360.505 4.358 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000187100650 1119766671 /nfs/dbraw/zinc/76/66/71/1119766671.db2.gz UYTAWWSJKOQLIQ-UHFFFAOYSA-N 2 1 353.510 4.156 20 0 FIADMP COc1cc(Br)ccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000190436780 1119937538 /nfs/dbraw/zinc/93/75/38/1119937538.db2.gz KGWMPWPORICRCP-ZDUSSCGKSA-N 2 1 366.303 4.094 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000467368335 1119946945 /nfs/dbraw/zinc/94/69/45/1119946945.db2.gz GNRZHZCZJQDGBY-HSALFYBXSA-N 2 1 354.542 4.281 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190094 1119964064 /nfs/dbraw/zinc/96/40/64/1119964064.db2.gz XSPFLSJGHYMVPU-NQIIRXRSSA-N 2 1 372.582 4.160 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190094 1119964065 /nfs/dbraw/zinc/96/40/65/1119964065.db2.gz XSPFLSJGHYMVPU-NQIIRXRSSA-N 2 1 372.582 4.160 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191692811 1119990259 /nfs/dbraw/zinc/99/02/59/1119990259.db2.gz XDQGBUWPNXVAIO-UHFFFAOYSA-N 2 1 355.404 4.395 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C[N@H+]1Cc1ccccc1 ZINC000494612391 1119996108 /nfs/dbraw/zinc/99/61/08/1119996108.db2.gz NCIDTDILVVJBHU-FUBOCBINSA-N 2 1 368.565 4.224 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cs2)C[C@H](C)O1 ZINC000193031242 1120095702 /nfs/dbraw/zinc/09/57/02/1120095702.db2.gz JPBCDMIZXAYEGR-GASCZTMLSA-N 2 1 364.942 4.301 20 0 FIADMP C[N@@H+](CCCOCc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000542512429 1120309750 /nfs/dbraw/zinc/30/97/50/1120309750.db2.gz YYWFWYPVXVFWTK-UHFFFAOYSA-N 2 1 367.537 4.227 20 0 FIADMP C[N@@H+](CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882554 1120356212 /nfs/dbraw/zinc/35/62/12/1120356212.db2.gz ZVHNQTKTABTBJB-OFNKIYASSA-N 2 1 370.512 4.405 20 0 FIADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc2Cl)cc1 ZINC000494986870 1120412679 /nfs/dbraw/zinc/41/26/79/1120412679.db2.gz GVFDBVHIAWWRGJ-OAQYLSRUSA-N 2 1 356.897 4.290 20 0 FIADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc2Cl)cc1 ZINC000494986870 1120412684 /nfs/dbraw/zinc/41/26/84/1120412684.db2.gz GVFDBVHIAWWRGJ-OAQYLSRUSA-N 2 1 356.897 4.290 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380983 1120768901 /nfs/dbraw/zinc/76/89/01/1120768901.db2.gz TXVRJVQADCGNPC-LZNRXBQRSA-N 2 1 350.506 4.183 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495415299 1120793153 /nfs/dbraw/zinc/79/31/53/1120793153.db2.gz OURXFFLZHVTRKJ-SVFBPWRDSA-N 2 1 351.538 4.314 20 0 FIADMP Cc1cc(F)ccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237622164 1120980388 /nfs/dbraw/zinc/98/03/88/1120980388.db2.gz HECYJPAFVDDBHE-HDICACEKSA-N 2 1 356.485 4.033 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000315659142 1120992687 /nfs/dbraw/zinc/99/26/87/1120992687.db2.gz OKCRYKNCKTURTB-QGZVFWFLSA-N 2 1 367.331 4.127 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000765755559 1121054037 /nfs/dbraw/zinc/05/40/37/1121054037.db2.gz QUWFYNUORJOELD-MRXNPFEDSA-N 2 1 372.513 4.088 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000126647589 1121447123 /nfs/dbraw/zinc/44/71/23/1121447123.db2.gz LLKOHNFVDWQUSS-JTHBVZDNSA-N 2 1 372.516 4.256 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000126647589 1121447131 /nfs/dbraw/zinc/44/71/31/1121447131.db2.gz LLKOHNFVDWQUSS-JTHBVZDNSA-N 2 1 372.516 4.256 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671744370 1121657846 /nfs/dbraw/zinc/65/78/46/1121657846.db2.gz XREYRTZERAFFRV-OAHLLOKOSA-N 2 1 353.466 4.224 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671747849 1121694246 /nfs/dbraw/zinc/69/42/46/1121694246.db2.gz RLJKTVGBLGCDQC-JKSUJKDBSA-N 2 1 365.477 4.410 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000063917778 1121728114 /nfs/dbraw/zinc/72/81/14/1121728114.db2.gz NPDJVTBTIAUEJG-OAQYLSRUSA-N 2 1 368.521 4.096 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000125078000 1121745045 /nfs/dbraw/zinc/74/50/45/1121745045.db2.gz UWYIXZHYWQLZKZ-SBUREZEXSA-N 2 1 350.506 4.498 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000125077895 1121745200 /nfs/dbraw/zinc/74/52/00/1121745200.db2.gz UWYIXZHYWQLZKZ-UZUQRXQVSA-N 2 1 350.506 4.498 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000671761460 1121791046 /nfs/dbraw/zinc/79/10/46/1121791046.db2.gz VDZKCPJRRYHFBK-MLCQCVOFSA-N 2 1 368.565 4.084 20 0 FIADMP COCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000125576076 1121793540 /nfs/dbraw/zinc/79/35/40/1121793540.db2.gz NWEXIPOHFWQFFE-ROUUACIJSA-N 2 1 356.510 4.194 20 0 FIADMP COCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000125576282 1121793619 /nfs/dbraw/zinc/79/36/19/1121793619.db2.gz NWEXIPOHFWQFFE-QZTJIDSGSA-N 2 1 356.510 4.194 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000074215955 1121947701 /nfs/dbraw/zinc/94/77/01/1121947701.db2.gz UXJANAZSGWYVMY-UHFFFAOYSA-N 2 1 354.498 4.021 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000126708426 1121978661 /nfs/dbraw/zinc/97/86/61/1121978661.db2.gz WWCXFMGDMZQEGI-NEPJUHHUSA-N 2 1 354.267 4.080 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126802242 1121998471 /nfs/dbraw/zinc/99/84/71/1121998471.db2.gz MIDPGQJYHZUYSP-JKSUJKDBSA-N 2 1 362.514 4.459 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126802242 1121998476 /nfs/dbraw/zinc/99/84/76/1121998476.db2.gz MIDPGQJYHZUYSP-JKSUJKDBSA-N 2 1 362.514 4.459 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3cccc(F)c3)cc2)C1 ZINC000917006228 1121999637 /nfs/dbraw/zinc/99/96/37/1121999637.db2.gz MLCUDSVNYZZXHS-IEGUWTFLSA-N 2 1 370.512 4.127 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2cc(F)ccc2F)cc1 ZINC000917008180 1122000684 /nfs/dbraw/zinc/00/06/84/1122000684.db2.gz GNSWOZCQQZCBSB-ZHRRBRCNSA-N 2 1 374.475 4.162 20 0 FIADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(OC)c(OC)c1 ZINC000128134261 1122196289 /nfs/dbraw/zinc/19/62/89/1122196289.db2.gz HCDXRUHPALBSJE-LJQANCHMSA-N 2 1 369.509 4.117 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497387238 1122199454 /nfs/dbraw/zinc/19/94/54/1122199454.db2.gz QTELJIRKRUWCAA-LSUHJGNXSA-N 2 1 364.533 4.264 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000128250428 1122210057 /nfs/dbraw/zinc/21/00/57/1122210057.db2.gz LLAVCEBQBPFOHJ-OAHLLOKOSA-N 2 1 367.884 4.059 20 0 FIADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000497658543 1122341432 /nfs/dbraw/zinc/34/14/32/1122341432.db2.gz ZHQFCQUOOYPEGP-ZWKOTPCHSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000497658543 1122341437 /nfs/dbraw/zinc/34/14/37/1122341437.db2.gz ZHQFCQUOOYPEGP-ZWKOTPCHSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000497658543 1122341439 /nfs/dbraw/zinc/34/14/39/1122341439.db2.gz ZHQFCQUOOYPEGP-ZWKOTPCHSA-N 2 1 372.557 4.007 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812464 1122415913 /nfs/dbraw/zinc/41/59/13/1122415913.db2.gz KWVFPLSUOFBSAW-SIKLNZKXSA-N 2 1 355.501 4.072 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812464 1122415916 /nfs/dbraw/zinc/41/59/16/1122415916.db2.gz KWVFPLSUOFBSAW-SIKLNZKXSA-N 2 1 355.501 4.072 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556057819 1122627342 /nfs/dbraw/zinc/62/73/42/1122627342.db2.gz WSNBRMQALWYYEJ-HKUYNNGSSA-N 2 1 372.896 4.036 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556057819 1122627345 /nfs/dbraw/zinc/62/73/45/1122627345.db2.gz WSNBRMQALWYYEJ-HKUYNNGSSA-N 2 1 372.896 4.036 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556075625 1122639228 /nfs/dbraw/zinc/63/92/28/1122639228.db2.gz DCMAXIDPYWUDMO-PMACEKPBSA-N 2 1 366.505 4.118 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556075625 1122639230 /nfs/dbraw/zinc/63/92/30/1122639230.db2.gz DCMAXIDPYWUDMO-PMACEKPBSA-N 2 1 366.505 4.118 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556104642 1122657429 /nfs/dbraw/zinc/65/74/29/1122657429.db2.gz FWRGBDWZMILBLM-JAXLGGSGSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556104642 1122657432 /nfs/dbraw/zinc/65/74/32/1122657432.db2.gz FWRGBDWZMILBLM-JAXLGGSGSA-N 2 1 369.940 4.344 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556104639 1122657725 /nfs/dbraw/zinc/65/77/25/1122657725.db2.gz FQUPPNIMBZZSNO-GOTSBHOMSA-N 3 1 357.586 4.170 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556104639 1122657727 /nfs/dbraw/zinc/65/77/27/1122657727.db2.gz FQUPPNIMBZZSNO-GOTSBHOMSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3o2)C[C@@H](C)O1 ZINC000069833354 1122690313 /nfs/dbraw/zinc/69/03/13/1122690313.db2.gz FJCMWEHCXBNFBN-QZTJIDSGSA-N 2 1 364.489 4.332 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000556194982 1122726429 /nfs/dbraw/zinc/72/64/29/1122726429.db2.gz KKPWYXRRCUFTOH-BJESRGMDSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000556194982 1122726432 /nfs/dbraw/zinc/72/64/32/1122726432.db2.gz KKPWYXRRCUFTOH-BJESRGMDSA-N 2 1 350.506 4.332 20 0 FIADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556228615 1122745237 /nfs/dbraw/zinc/74/52/37/1122745237.db2.gz ASYFKCKQUKBQFH-HJNYFJLDSA-N 2 1 356.554 4.084 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234334 1122751407 /nfs/dbraw/zinc/75/14/07/1122751407.db2.gz WRGZNKUTMNQGIG-YADHBBJMSA-N 2 1 368.565 4.228 20 0 FIADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130563331 1122871917 /nfs/dbraw/zinc/87/19/17/1122871917.db2.gz XEFOIQBSRNPTFH-IAGOWNOFSA-N 2 1 356.514 4.054 20 0 FIADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130563331 1122871919 /nfs/dbraw/zinc/87/19/19/1122871919.db2.gz XEFOIQBSRNPTFH-IAGOWNOFSA-N 2 1 356.514 4.054 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]2CCC[C@H]21 ZINC000556869713 1123150673 /nfs/dbraw/zinc/15/06/73/1123150673.db2.gz ANBHXMBKESMCKQ-QNWVGRARSA-N 2 1 374.532 4.047 20 0 FIADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556871796 1123153213 /nfs/dbraw/zinc/15/32/13/1123153213.db2.gz MXXHRQKNRHDLBI-CWKRKGSWSA-N 2 1 358.570 4.066 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C)c1 ZINC000556873017 1123157034 /nfs/dbraw/zinc/15/70/34/1123157034.db2.gz UNJHWOBHRJLSMA-XXBNENTESA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C)c1 ZINC000556873017 1123157038 /nfs/dbraw/zinc/15/70/38/1123157038.db2.gz UNJHWOBHRJLSMA-XXBNENTESA-N 2 1 352.522 4.457 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000514926130 1123157750 /nfs/dbraw/zinc/15/77/50/1123157750.db2.gz XCTLFYXQADZBOM-JCTONOIOSA-N 2 1 363.549 4.328 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000514926130 1123157754 /nfs/dbraw/zinc/15/77/54/1123157754.db2.gz XCTLFYXQADZBOM-JCTONOIOSA-N 2 1 363.549 4.328 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2n[nH]cc2c1 ZINC000556921686 1123230727 /nfs/dbraw/zinc/23/07/27/1123230727.db2.gz QZWZJBAEDVBDMP-MRXNPFEDSA-N 2 1 366.484 4.060 20 0 FIADMP Cc1cccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499140337 1123280855 /nfs/dbraw/zinc/28/08/55/1123280855.db2.gz VJDVBKHZMUUVTQ-DKUWSORSSA-N 2 1 350.506 4.159 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144747 1123287233 /nfs/dbraw/zinc/28/72/33/1123287233.db2.gz XXLDIIADNBBAQY-UOHRICOVSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499144747 1123287239 /nfs/dbraw/zinc/28/72/39/1123287239.db2.gz XXLDIIADNBBAQY-UOHRICOVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144747 1123287243 /nfs/dbraw/zinc/28/72/43/1123287243.db2.gz XXLDIIADNBBAQY-UOHRICOVSA-N 3 1 369.597 4.140 20 0 FIADMP C[N@@H+](CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499149210 1123292527 /nfs/dbraw/zinc/29/25/27/1123292527.db2.gz SKCNAQVXQFEZOV-VILGAWFOSA-N 2 1 369.597 4.426 20 0 FIADMP C[NH+](CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149210 1123292533 /nfs/dbraw/zinc/29/25/33/1123292533.db2.gz SKCNAQVXQFEZOV-VILGAWFOSA-N 2 1 369.597 4.426 20 0 FIADMP C[NH+](CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149210 1123292540 /nfs/dbraw/zinc/29/25/40/1123292540.db2.gz SKCNAQVXQFEZOV-VILGAWFOSA-N 2 1 369.597 4.426 20 0 FIADMP C[N@H+](CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499149210 1123292545 /nfs/dbraw/zinc/29/25/45/1123292545.db2.gz SKCNAQVXQFEZOV-VILGAWFOSA-N 3 1 369.597 4.426 20 0 FIADMP C[N@@H+](CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499149210 1123292550 /nfs/dbraw/zinc/29/25/50/1123292550.db2.gz SKCNAQVXQFEZOV-VILGAWFOSA-N 3 1 369.597 4.426 20 0 FIADMP C[NH+](CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149210 1123292555 /nfs/dbraw/zinc/29/25/55/1123292555.db2.gz SKCNAQVXQFEZOV-VILGAWFOSA-N 3 1 369.597 4.426 20 0 FIADMP C[NH+](CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149210 1123292560 /nfs/dbraw/zinc/29/25/60/1123292560.db2.gz SKCNAQVXQFEZOV-VILGAWFOSA-N 3 1 369.597 4.426 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499196128 1123315899 /nfs/dbraw/zinc/31/58/99/1123315899.db2.gz RGVQFYGICYSSBU-GJPOJAMWSA-N 2 1 362.517 4.468 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499218591 1123332586 /nfs/dbraw/zinc/33/25/86/1123332586.db2.gz YPJYKMJERIHLGH-FWKCKQQBSA-N 2 1 356.554 4.103 20 0 FIADMP O[C@@H]1CCCC[C@H]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499218593 1123332919 /nfs/dbraw/zinc/33/29/19/1123332919.db2.gz YPJYKMJERIHLGH-IACLWVNRSA-N 2 1 356.554 4.103 20 0 FIADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232161 1123340909 /nfs/dbraw/zinc/34/09/09/1123340909.db2.gz GOWJZYVXIDNGMG-PSWRPDDJSA-N 2 1 350.506 4.239 20 0 FIADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250183 1123358354 /nfs/dbraw/zinc/35/83/54/1123358354.db2.gz LTXODGDYFUCAJX-HLRQEUIKSA-N 2 1 368.496 4.378 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250179 1123358401 /nfs/dbraw/zinc/35/84/01/1123358401.db2.gz LTXODGDYFUCAJX-AGOPTVSRSA-N 2 1 368.496 4.378 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)oc2cc1C ZINC000132820301 1123365445 /nfs/dbraw/zinc/36/54/45/1123365445.db2.gz HGTBRPPSYVWPDA-ROUUACIJSA-N 2 1 356.510 4.201 20 0 FIADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000920179165 1123396058 /nfs/dbraw/zinc/39/60/58/1123396058.db2.gz BNLVXQAUFIUORY-QGZVFWFLSA-N 2 1 374.960 4.436 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000134175607 1123601090 /nfs/dbraw/zinc/60/10/90/1123601090.db2.gz FREGIAJAJVNLFN-UHFFFAOYSA-N 2 1 370.541 4.029 20 0 FIADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000134880307 1123687417 /nfs/dbraw/zinc/68/74/17/1123687417.db2.gz QUSPGCBIKARZHP-GCJKJVERSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000134880307 1123687419 /nfs/dbraw/zinc/68/74/19/1123687419.db2.gz QUSPGCBIKARZHP-GCJKJVERSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000134880307 1123687421 /nfs/dbraw/zinc/68/74/21/1123687421.db2.gz QUSPGCBIKARZHP-GCJKJVERSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000134880307 1123687424 /nfs/dbraw/zinc/68/74/24/1123687424.db2.gz QUSPGCBIKARZHP-GCJKJVERSA-N 2 1 351.494 4.099 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccccc1 ZINC000615316038 1123988582 /nfs/dbraw/zinc/98/85/82/1123988582.db2.gz HXXRXNPFWLUMFE-RBUKOAKNSA-N 2 1 365.521 4.035 20 0 FIADMP OCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000245642333 1124159383 /nfs/dbraw/zinc/15/93/83/1124159383.db2.gz AZQRXMJWKMAMHG-DKUWSORSSA-N 2 1 356.554 4.105 20 0 FIADMP CCc1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000245642233 1124159498 /nfs/dbraw/zinc/15/94/98/1124159498.db2.gz AYAZYWJMWITUIC-REPLKXPHSA-N 2 1 355.551 4.033 20 0 FIADMP COCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245701913 1124209678 /nfs/dbraw/zinc/20/96/78/1124209678.db2.gz LUSKAFARPHUPBC-NUNAXRQHSA-N 2 1 350.506 4.118 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCNc2ccccn2)C3)cc1 ZINC000245744328 1124233785 /nfs/dbraw/zinc/23/37/85/1124233785.db2.gz SFFQCQOYPDZIFA-KOUNCHBCSA-N 3 1 364.537 4.059 20 0 FIADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCNc2ccccn2)C3)cc1 ZINC000245744328 1124233789 /nfs/dbraw/zinc/23/37/89/1124233789.db2.gz SFFQCQOYPDZIFA-KOUNCHBCSA-N 3 1 364.537 4.059 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)cc1 ZINC000765877751 1124309017 /nfs/dbraw/zinc/30/90/17/1124309017.db2.gz GDYLXNNPFVQLAC-UZUQRXQVSA-N 2 1 361.489 4.055 20 0 FIADMP Cc1cc(N2CCC([NH2+]CCc3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000139141580 1124435405 /nfs/dbraw/zinc/43/54/05/1124435405.db2.gz NDXYIMVDODLMDH-UHFFFAOYSA-N 2 1 352.526 4.018 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000246895528 1124572317 /nfs/dbraw/zinc/57/23/17/1124572317.db2.gz FPHNUWGZWQTXSC-KFKAGJAMSA-N 2 1 371.491 4.161 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000247171778 1124596908 /nfs/dbraw/zinc/59/69/08/1124596908.db2.gz YPCMHCYZHQJFGJ-HUUCEWRRSA-N 2 1 354.922 4.128 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000247171778 1124596911 /nfs/dbraw/zinc/59/69/11/1124596911.db2.gz YPCMHCYZHQJFGJ-HUUCEWRRSA-N 2 1 354.922 4.128 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000247943613 1124732546 /nfs/dbraw/zinc/73/25/46/1124732546.db2.gz DGULPJOWVQFVNU-MDZRGWNJSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000247943613 1124732553 /nfs/dbraw/zinc/73/25/53/1124732553.db2.gz DGULPJOWVQFVNU-MDZRGWNJSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000247999980 1124736996 /nfs/dbraw/zinc/73/69/96/1124736996.db2.gz KIEZGZWTGNLMSX-SESVDKBCSA-N 2 1 372.553 4.160 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000247999980 1124737000 /nfs/dbraw/zinc/73/70/00/1124737000.db2.gz KIEZGZWTGNLMSX-SESVDKBCSA-N 2 1 372.553 4.160 20 0 FIADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000248071247 1124741533 /nfs/dbraw/zinc/74/15/33/1124741533.db2.gz MOMKKABMBAPTSE-YJBOKZPZSA-N 2 1 371.550 4.128 20 0 FIADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000248071247 1124741536 /nfs/dbraw/zinc/74/15/36/1124741536.db2.gz MOMKKABMBAPTSE-YJBOKZPZSA-N 2 1 371.550 4.128 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2sc(C(C)C)nc2C)[C@@H](C)C1 ZINC000248150222 1124746333 /nfs/dbraw/zinc/74/63/33/1124746333.db2.gz QQYWSAHJQLCONK-JZXOWHBKSA-N 2 1 367.603 4.363 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2sc(C(C)C)nc2C)[C@@H](C)C1 ZINC000248150222 1124746339 /nfs/dbraw/zinc/74/63/39/1124746339.db2.gz QQYWSAHJQLCONK-JZXOWHBKSA-N 2 1 367.603 4.363 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000248430228 1124766993 /nfs/dbraw/zinc/76/69/93/1124766993.db2.gz BNAPPOPQOKEYRJ-ZEQRLZLVSA-N 2 1 364.533 4.193 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248433985 1124768118 /nfs/dbraw/zinc/76/81/18/1124768118.db2.gz DOBCUQBQPQNCNM-RZFNWQHOSA-N 2 1 364.533 4.290 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000248434434 1124768581 /nfs/dbraw/zinc/76/85/81/1124768581.db2.gz DWUJRNAHHQMPFX-UGKGYDQZSA-N 2 1 374.475 4.162 20 0 FIADMP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248438890 1124769634 /nfs/dbraw/zinc/76/96/34/1124769634.db2.gz ICXIYWTURDPWRT-PZJWPPBQSA-N 2 1 368.521 4.040 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248455235 1124772045 /nfs/dbraw/zinc/77/20/45/1124772045.db2.gz RJMUXLXBZKWONB-FCHUYYIVSA-N 2 1 356.485 4.023 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168683923 1124800856 /nfs/dbraw/zinc/80/08/56/1124800856.db2.gz CAPXZXUBCKKIQA-UXPWSPDFSA-N 2 1 354.925 4.450 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001168683923 1124800869 /nfs/dbraw/zinc/80/08/69/1124800869.db2.gz CAPXZXUBCKKIQA-UXPWSPDFSA-N 2 1 354.925 4.450 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCO2 ZINC000248992524 1124833737 /nfs/dbraw/zinc/83/37/37/1124833737.db2.gz NXBISYDTACZJTP-KEZQHZCBSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCO2 ZINC000248992524 1124833752 /nfs/dbraw/zinc/83/37/52/1124833752.db2.gz NXBISYDTACZJTP-KEZQHZCBSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCO2 ZINC000248992527 1124834117 /nfs/dbraw/zinc/83/41/17/1124834117.db2.gz NXBISYDTACZJTP-XAPVIXHLSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCO2 ZINC000248992527 1124834120 /nfs/dbraw/zinc/83/41/20/1124834120.db2.gz NXBISYDTACZJTP-XAPVIXHLSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089595301 1124916213 /nfs/dbraw/zinc/91/62/13/1124916213.db2.gz JGPPAJHGWYDTTA-RTWAWAEBSA-N 2 1 360.517 4.087 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000542948676 1124949023 /nfs/dbraw/zinc/94/90/23/1124949023.db2.gz ZWGCCGKRCCHXTI-UHFFFAOYSA-N 2 1 359.558 4.076 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1OC(F)F ZINC000090586080 1125006243 /nfs/dbraw/zinc/00/62/43/1125006243.db2.gz DVJCTGBNIQSERQ-HOTGVXAUSA-N 2 1 370.484 4.315 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091265827 1125060119 /nfs/dbraw/zinc/06/01/19/1125060119.db2.gz OLCWIYIOLWZIEK-HSZRJFAPSA-N 2 1 350.506 4.068 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000672619387 1125203733 /nfs/dbraw/zinc/20/37/33/1125203733.db2.gz MJJFCCUEQRUQHS-PIPMEXSNSA-N 2 1 372.940 4.059 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000672619387 1125203739 /nfs/dbraw/zinc/20/37/39/1125203739.db2.gz MJJFCCUEQRUQHS-PIPMEXSNSA-N 2 1 372.940 4.059 20 0 FIADMP CCCCc1noc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821347 1125244832 /nfs/dbraw/zinc/24/48/32/1125244832.db2.gz GNKJZTDJQVFELW-KRWDZBQOSA-N 2 1 371.529 4.107 20 0 FIADMP CCCCc1noc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821347 1125244839 /nfs/dbraw/zinc/24/48/39/1125244839.db2.gz GNKJZTDJQVFELW-KRWDZBQOSA-N 2 1 371.529 4.107 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccn2)cc1C[NH+]1CCCCC1 ZINC000182194517 1125287258 /nfs/dbraw/zinc/28/72/58/1125287258.db2.gz KQOGCUIAOHBVTL-ZWKOTPCHSA-N 2 1 353.510 4.488 20 0 FIADMP C[NH+](C)CCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040719538 205077534 /nfs/dbraw/zinc/07/75/34/205077534.db2.gz WREMZZPAWMOKAL-UHFFFAOYSA-N 2 1 350.865 4.099 20 0 FIADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130765 568262425 /nfs/dbraw/zinc/26/24/25/568262425.db2.gz VQMGPKKJDIQHGV-DNVCBOLYSA-N 2 1 374.912 4.097 20 0 FIADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130765 568262426 /nfs/dbraw/zinc/26/24/26/568262426.db2.gz VQMGPKKJDIQHGV-DNVCBOLYSA-N 2 1 374.912 4.097 20 0 FIADMP CC[C@H](C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000563136709 568270157 /nfs/dbraw/zinc/27/01/57/568270157.db2.gz NHZVWTYOCFQUEL-TZIWHRDSSA-N 2 1 366.553 4.041 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000604418012 568275971 /nfs/dbraw/zinc/27/59/71/568275971.db2.gz CDABRZRYPBVSCC-WIYYLYMNSA-N 2 1 356.510 4.173 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000604418012 568275972 /nfs/dbraw/zinc/27/59/72/568275972.db2.gz CDABRZRYPBVSCC-WIYYLYMNSA-N 2 1 356.510 4.173 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683698 1125490400 /nfs/dbraw/zinc/49/04/00/1125490400.db2.gz XXFXGDWUDVVSOW-MRXNPFEDSA-N 2 1 358.917 4.038 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683698 1125490402 /nfs/dbraw/zinc/49/04/02/1125490402.db2.gz XXFXGDWUDVVSOW-MRXNPFEDSA-N 2 1 358.917 4.038 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000765972582 1125516626 /nfs/dbraw/zinc/51/66/26/1125516626.db2.gz BEDDBMXOFLUIAX-BQFCYCMXSA-N 2 1 373.566 4.021 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546778 1079670881 /nfs/dbraw/zinc/67/08/81/1079670881.db2.gz URUZWMCRCJMTAR-MAUKXSAKSA-N 2 1 355.551 4.368 20 0 FIADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCc2c[nH+]cn2C)CCC3)cc1 ZINC000530460239 1079733676 /nfs/dbraw/zinc/73/36/76/1079733676.db2.gz BXHUAPJPDHGCIJ-KRWDZBQOSA-N 2 1 352.507 4.062 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000547732113 1080298106 /nfs/dbraw/zinc/29/81/06/1080298106.db2.gz JSQIMMCXGJSWTO-QGZVFWFLSA-N 2 1 368.525 4.013 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000547732113 1080298109 /nfs/dbraw/zinc/29/81/09/1080298109.db2.gz JSQIMMCXGJSWTO-QGZVFWFLSA-N 2 1 368.525 4.013 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)CCCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000137302141 1080314621 /nfs/dbraw/zinc/31/46/21/1080314621.db2.gz OXVJMCXZZVMCOB-UHFFFAOYSA-N 2 1 359.558 4.137 20 0 FIADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000154846414 1080443221 /nfs/dbraw/zinc/44/32/21/1080443221.db2.gz MHYPMSRSUFSOSI-QGZVFWFLSA-N 2 1 353.510 4.336 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180136091 1080455599 /nfs/dbraw/zinc/45/55/99/1080455599.db2.gz PGNWBGPJQALPEF-IRFPFTSISA-N 2 1 350.506 4.108 20 0 FIADMP COCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC001648791908 1080496795 /nfs/dbraw/zinc/49/67/95/1080496795.db2.gz DLZPGQXVOABHQI-LJQANCHMSA-N 2 1 352.522 4.355 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc2ccccc21 ZINC000180645294 1080533408 /nfs/dbraw/zinc/53/34/08/1080533408.db2.gz GWTAOGLTLTXCNI-AVRDEDQJSA-N 2 1 360.501 4.257 20 0 FIADMP Cc1cc(N2CCC([NH2+]C(c3ccccc3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000180724008 1080540368 /nfs/dbraw/zinc/54/03/68/1080540368.db2.gz JDOQJXLXWQQSTQ-UHFFFAOYSA-N 2 1 372.516 4.441 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000109786612 1080753408 /nfs/dbraw/zinc/75/34/08/1080753408.db2.gz BHRKYJPPNDJATL-UHFFFAOYSA-N 2 1 365.521 4.245 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000109786612 1080753414 /nfs/dbraw/zinc/75/34/14/1080753414.db2.gz BHRKYJPPNDJATL-UHFFFAOYSA-N 2 1 365.521 4.245 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC001648795414 1080795563 /nfs/dbraw/zinc/79/55/63/1080795563.db2.gz OGUORQJEHUUYKZ-TWHAJKEOSA-N 2 1 356.554 4.356 20 0 FIADMP c1ccc(COc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000236719006 1080897566 /nfs/dbraw/zinc/89/75/66/1080897566.db2.gz VVLBASODALNLDK-UHFFFAOYSA-N 2 1 350.506 4.230 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C3CC(OCc4ccccc4)C3)C2)CC1 ZINC001167256522 1080915588 /nfs/dbraw/zinc/91/55/88/1080915588.db2.gz YWUZJTIZVTVYDB-UVKLAMSESA-N 2 1 356.554 4.178 20 0 FIADMP CCOc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000312519850 1080965549 /nfs/dbraw/zinc/96/55/49/1080965549.db2.gz OIRGYUJSQYDGPM-NQIIRXRSSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237526609 1080973329 /nfs/dbraw/zinc/97/33/29/1080973329.db2.gz OWAHVXDELALJSZ-PGRDOPGGSA-N 2 1 365.521 4.480 20 0 FIADMP Cc1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCC2)c1 ZINC000655709006 1081128187 /nfs/dbraw/zinc/12/81/87/1081128187.db2.gz VUTIZXCSHRWGPN-JOCHJYFZSA-N 2 1 356.554 4.040 20 0 FIADMP Cc1cccc(-c2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)c1 ZINC000655707830 1081133041 /nfs/dbraw/zinc/13/30/41/1081133041.db2.gz DXDXVPZQVDUJFL-HSZRJFAPSA-N 2 1 350.506 4.005 20 0 FIADMP Fc1ccc(C2CCC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655750599 1081173008 /nfs/dbraw/zinc/17/30/08/1081173008.db2.gz CVPZJSLNIYXZBT-ZOGYUUGASA-N 2 1 360.517 4.085 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758097 1081174001 /nfs/dbraw/zinc/17/40/01/1081174001.db2.gz QKGQYRIWJLSBCE-QUCCMNQESA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758097 1081174004 /nfs/dbraw/zinc/17/40/04/1081174004.db2.gz QKGQYRIWJLSBCE-QUCCMNQESA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758097 1081174020 /nfs/dbraw/zinc/17/40/20/1081174020.db2.gz QKGQYRIWJLSBCE-QUCCMNQESA-N 2 1 366.553 4.232 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC23CC3)cc1 ZINC000655788980 1081201249 /nfs/dbraw/zinc/20/12/49/1081201249.db2.gz SNAODWDQKPAEEJ-BHDDXSALSA-N 2 1 354.538 4.121 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC23CC3)cc1 ZINC000655788980 1081201254 /nfs/dbraw/zinc/20/12/54/1081201254.db2.gz SNAODWDQKPAEEJ-BHDDXSALSA-N 2 1 354.538 4.121 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CCCC4)CC3)cc2)CC1 ZINC001648814098 1081215979 /nfs/dbraw/zinc/21/59/79/1081215979.db2.gz FQCRBZMUCKCVHD-UHFFFAOYSA-N 2 1 369.597 4.417 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC(C)(C)CC3)cc2)CC1 ZINC001648815009 1081227758 /nfs/dbraw/zinc/22/77/58/1081227758.db2.gz YDWVDZNOUBMNIP-JOCHJYFZSA-N 2 1 357.586 4.273 20 0 FIADMP FC(F)(F)Oc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000655820807 1081231588 /nfs/dbraw/zinc/23/15/88/1081231588.db2.gz LYBTVNYICCQRNX-IRXDYDNUSA-N 2 1 368.443 4.223 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000137683408 1081264500 /nfs/dbraw/zinc/26/45/00/1081264500.db2.gz BEEYVSUFTWSAIU-NRFANRHFSA-N 2 1 371.569 4.138 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000137691507 1081275283 /nfs/dbraw/zinc/27/52/83/1081275283.db2.gz XQZCUJGUNHQPLJ-HXUWFJFHSA-N 2 1 359.558 4.137 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000137691507 1081275287 /nfs/dbraw/zinc/27/52/87/1081275287.db2.gz XQZCUJGUNHQPLJ-HXUWFJFHSA-N 2 1 359.558 4.137 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000137691507 1081275294 /nfs/dbraw/zinc/27/52/94/1081275294.db2.gz XQZCUJGUNHQPLJ-HXUWFJFHSA-N 2 1 359.558 4.137 20 0 FIADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000579982262 1081361574 /nfs/dbraw/zinc/36/15/74/1081361574.db2.gz VFYKTFRDTNDJFM-FUHWJXTLSA-N 2 1 368.949 4.015 20 0 FIADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000579982261 1081361755 /nfs/dbraw/zinc/36/17/55/1081361755.db2.gz VFYKTFRDTNDJFM-AEFFLSMTSA-N 2 1 368.949 4.015 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2OCCc4ccccc42)C3)cc1 ZINC000683692379 1081390379 /nfs/dbraw/zinc/39/03/79/1081390379.db2.gz PQIIPDWDWGNWIU-YCSHWKNNSA-N 2 1 362.517 4.086 20 0 FIADMP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCCO1 ZINC000683692947 1081392259 /nfs/dbraw/zinc/39/22/59/1081392259.db2.gz YHWZRBVNUUCJJM-KJJMTIBFSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289676 1081392875 /nfs/dbraw/zinc/39/28/75/1081392875.db2.gz SBDICILBKVBWMH-VBNZEHGJSA-N 2 1 363.299 4.473 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289676 1081392881 /nfs/dbraw/zinc/39/28/81/1081392881.db2.gz SBDICILBKVBWMH-VBNZEHGJSA-N 2 1 363.299 4.473 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5cccnc54)C[C@@H]3C2)cc1 ZINC000312614221 1081459565 /nfs/dbraw/zinc/45/95/65/1081459565.db2.gz GEBXRVCSAWITEM-GMAHTHKFSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)cc1 ZINC000312614221 1081459568 /nfs/dbraw/zinc/45/95/68/1081459568.db2.gz GEBXRVCSAWITEM-GMAHTHKFSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)cc1 ZINC000312614221 1081459570 /nfs/dbraw/zinc/45/95/70/1081459570.db2.gz GEBXRVCSAWITEM-GMAHTHKFSA-N 2 1 357.501 4.189 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000580101778 1081593862 /nfs/dbraw/zinc/59/38/62/1081593862.db2.gz IOHVVGLHWMYKDE-OUJCMCIWSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000580101778 1081593870 /nfs/dbraw/zinc/59/38/70/1081593870.db2.gz IOHVVGLHWMYKDE-OUJCMCIWSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000580101778 1081593874 /nfs/dbraw/zinc/59/38/74/1081593874.db2.gz IOHVVGLHWMYKDE-OUJCMCIWSA-N 2 1 363.549 4.247 20 0 FIADMP COc1ccccc1CC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001167364158 1081729230 /nfs/dbraw/zinc/72/92/30/1081729230.db2.gz VHDRWSPBMOBIFM-UHFFFAOYSA-N 2 1 352.522 4.356 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000048745020 1081835276 /nfs/dbraw/zinc/83/52/76/1081835276.db2.gz ZEIAUXRKGZWPQE-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000580346022 1081879686 /nfs/dbraw/zinc/87/96/86/1081879686.db2.gz WTLBJUYHQYNKSD-KURKYZTESA-N 2 1 352.526 4.114 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000510331442 1082004567 /nfs/dbraw/zinc/00/45/67/1082004567.db2.gz DQPAUBMFXYUCOX-GOSISDBHSA-N 2 1 368.525 4.258 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656262201 1082048705 /nfs/dbraw/zinc/04/87/05/1082048705.db2.gz QHSAXTCHARJXJK-UHFFFAOYSA-N 2 1 365.525 4.160 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656262201 1082048709 /nfs/dbraw/zinc/04/87/09/1082048709.db2.gz QHSAXTCHARJXJK-UHFFFAOYSA-N 2 1 365.525 4.160 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000047978804 1082066158 /nfs/dbraw/zinc/06/61/58/1082066158.db2.gz DHGWPSGNBBJPIS-UHFFFAOYSA-N 2 1 357.567 4.288 20 0 FIADMP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001279475224 1082256092 /nfs/dbraw/zinc/25/60/92/1082256092.db2.gz XUVPNVGURDMGSA-ZWKOTPCHSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001279475224 1082256097 /nfs/dbraw/zinc/25/60/97/1082256097.db2.gz XUVPNVGURDMGSA-ZWKOTPCHSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)CCC[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCCCO3)C2)C1 ZINC001279475224 1082256100 /nfs/dbraw/zinc/25/61/00/1082256100.db2.gz XUVPNVGURDMGSA-ZWKOTPCHSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)CCC[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCCCO3)C2)C1 ZINC001279475224 1082256106 /nfs/dbraw/zinc/25/61/06/1082256106.db2.gz XUVPNVGURDMGSA-ZWKOTPCHSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)[C@H]1CC([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C(F)(F)F)C1 ZINC000656472380 1082455693 /nfs/dbraw/zinc/45/56/93/1082455693.db2.gz DRLJOPOHKOBQHX-GHMZBOCLSA-N 2 1 358.370 4.112 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+]1CCCCCC1 ZINC000510389113 1082470784 /nfs/dbraw/zinc/47/07/84/1082470784.db2.gz NUKMAMBTSNPFIZ-OALUTQOASA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCCCCC1 ZINC000510389887 1082477113 /nfs/dbraw/zinc/47/71/13/1082477113.db2.gz UHKABTCRXCCKQB-OALUTQOASA-N 2 1 357.542 4.264 20 0 FIADMP Clc1ccc2cccnc2c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410228 1082856380 /nfs/dbraw/zinc/85/63/80/1082856380.db2.gz AZXMQIDWPMMEID-GOSISDBHSA-N 2 1 365.908 4.500 20 0 FIADMP Clc1ccc2cccnc2c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000684410228 1082856382 /nfs/dbraw/zinc/85/63/82/1082856382.db2.gz AZXMQIDWPMMEID-GOSISDBHSA-N 2 1 365.908 4.500 20 0 FIADMP COC[C@@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000559095525 1082901959 /nfs/dbraw/zinc/90/19/59/1082901959.db2.gz ZJLVBAAOEGNECP-PXWCZTGZSA-N 2 1 350.934 4.126 20 0 FIADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884024 1082971190 /nfs/dbraw/zinc/97/11/90/1082971190.db2.gz ODGLYAAIEWYUPT-NHCUHLMSSA-N 2 1 366.553 4.275 20 0 FIADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884024 1082971191 /nfs/dbraw/zinc/97/11/91/1082971191.db2.gz ODGLYAAIEWYUPT-NHCUHLMSSA-N 2 1 366.553 4.275 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@@H](C)C1 ZINC000430758014 1083146514 /nfs/dbraw/zinc/14/65/14/1083146514.db2.gz YHQTVEOAHDYVQP-ADOMEBDSSA-N 2 1 369.322 4.154 20 0 FIADMP c1[nH+]c(C2CC[NH+](CCSCc3ccccc3)CC2)n2c1CCCC2 ZINC000430778536 1083171582 /nfs/dbraw/zinc/17/15/82/1083171582.db2.gz SNPNYJLKHXEQPG-UHFFFAOYSA-N 2 1 355.551 4.332 20 0 FIADMP Cc1cccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cccc(F)c2)c1 ZINC000510716027 1083259221 /nfs/dbraw/zinc/25/92/21/1083259221.db2.gz OFPIXZMNUYPZSK-PKTZIBPZSA-N 2 1 370.512 4.050 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)c(C)o2)c1 ZINC000431084281 1083330191 /nfs/dbraw/zinc/33/01/91/1083330191.db2.gz FZWSIVSNIHJCRS-HNNXBMFYSA-N 2 1 358.482 4.067 20 0 FIADMP c1ccc(C(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)c2ccccc2)cc1 ZINC000510845172 1083339300 /nfs/dbraw/zinc/33/93/00/1083339300.db2.gz LJCMVJWTJMWFFK-UHFFFAOYSA-N 2 1 364.533 4.053 20 0 FIADMP CC(C)C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000684557043 1083344980 /nfs/dbraw/zinc/34/49/80/1083344980.db2.gz NRGMSAJGGIEXGN-KRWDZBQOSA-N 2 1 350.304 4.102 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C3(CCC3)C2)cc1 ZINC000658316658 1083404933 /nfs/dbraw/zinc/40/49/33/1083404933.db2.gz GNDXCMDVRKYPMO-FGZHOGPDSA-N 2 1 368.565 4.228 20 0 FIADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320172 1083406148 /nfs/dbraw/zinc/40/61/48/1083406148.db2.gz PHEBTDGCLWULMO-UGKGYDQZSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320439 1083408442 /nfs/dbraw/zinc/40/84/42/1083408442.db2.gz YDENUTMZUMBHEX-RXVVDRJESA-N 2 1 350.506 4.345 20 0 FIADMP C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483457 1083467755 /nfs/dbraw/zinc/46/77/55/1083467755.db2.gz NWTPQWMMTMQUPL-MJGOQNOKSA-N 2 1 371.594 4.483 20 0 FIADMP C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483458 1083468498 /nfs/dbraw/zinc/46/84/98/1083468498.db2.gz NWTPQWMMTMQUPL-PKOBYXMFSA-N 2 1 371.594 4.483 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548483510 1083468541 /nfs/dbraw/zinc/46/85/41/1083468541.db2.gz ATFUGWZMQXYKNF-RXVVDRJESA-N 2 1 365.521 4.035 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179501654 1083484201 /nfs/dbraw/zinc/48/42/01/1083484201.db2.gz ZMDIMWVCJFAEMT-XCLFUZPHSA-N 2 1 373.859 4.357 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000510936441 1083512179 /nfs/dbraw/zinc/51/21/79/1083512179.db2.gz VSOOASHJTFQXFS-OAHLLOKOSA-N 2 1 354.317 4.147 20 0 FIADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000510961560 1083540064 /nfs/dbraw/zinc/54/00/64/1083540064.db2.gz MMOMJZFAULKSAJ-IAGOWNOFSA-N 2 1 372.475 4.117 20 0 FIADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000510961560 1083540068 /nfs/dbraw/zinc/54/00/68/1083540068.db2.gz MMOMJZFAULKSAJ-IAGOWNOFSA-N 2 1 372.475 4.117 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000535668822 1083566044 /nfs/dbraw/zinc/56/60/44/1083566044.db2.gz HZRMSLJSKUHMRH-UHFFFAOYSA-N 2 1 368.294 4.394 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000535668822 1083566053 /nfs/dbraw/zinc/56/60/53/1083566053.db2.gz HZRMSLJSKUHMRH-UHFFFAOYSA-N 2 1 368.294 4.394 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnc5ccccc5n4)[C@@H]3C2)cc1 ZINC000628237571 1083598743 /nfs/dbraw/zinc/59/87/43/1083598743.db2.gz RJCUKLFUVOMPNG-KSEOMHKRSA-N 2 1 372.516 4.020 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnc5ccccc5n4)[C@@H]3C2)cc1 ZINC000628237571 1083598755 /nfs/dbraw/zinc/59/87/55/1083598755.db2.gz RJCUKLFUVOMPNG-KSEOMHKRSA-N 2 1 372.516 4.020 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808373 1083693393 /nfs/dbraw/zinc/69/33/93/1083693393.db2.gz BHNLZLRMDYRGGZ-RDTXWAMCSA-N 2 1 367.320 4.185 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808373 1083693398 /nfs/dbraw/zinc/69/33/98/1083693398.db2.gz BHNLZLRMDYRGGZ-RDTXWAMCSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808373 1083693404 /nfs/dbraw/zinc/69/34/04/1083693404.db2.gz BHNLZLRMDYRGGZ-RDTXWAMCSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808373 1083693407 /nfs/dbraw/zinc/69/34/07/1083693407.db2.gz BHNLZLRMDYRGGZ-RDTXWAMCSA-N 2 1 367.320 4.185 20 0 FIADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000535808495 1083693781 /nfs/dbraw/zinc/69/37/81/1083693781.db2.gz IKYBXVNTYPRJTK-IRLDBZIGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535808495 1083693787 /nfs/dbraw/zinc/69/37/87/1083693787.db2.gz IKYBXVNTYPRJTK-IRLDBZIGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000535808495 1083693791 /nfs/dbraw/zinc/69/37/91/1083693791.db2.gz IKYBXVNTYPRJTK-IRLDBZIGSA-N 2 1 360.505 4.049 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(F)cc2)s1 ZINC000535809145 1083697557 /nfs/dbraw/zinc/69/75/57/1083697557.db2.gz IPALIYXZJKTHTM-HOJAQTOUSA-N 2 1 374.525 4.238 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000236721005 1083973026 /nfs/dbraw/zinc/97/30/26/1083973026.db2.gz SCUXUQKVEFZBBW-ZWKOTPCHSA-N 2 1 357.542 4.013 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000472069691 1084236364 /nfs/dbraw/zinc/23/63/64/1084236364.db2.gz LSIVTVAUUVOBEQ-CALCHBBNSA-N 2 1 356.485 4.299 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000472069691 1084236372 /nfs/dbraw/zinc/23/63/72/1084236372.db2.gz LSIVTVAUUVOBEQ-CALCHBBNSA-N 2 1 356.485 4.299 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1 ZINC000657311016 1084405089 /nfs/dbraw/zinc/40/50/89/1084405089.db2.gz VOYMCZCWOPNAQK-SFHVURJKSA-N 2 1 366.553 4.352 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000414085899 1084497025 /nfs/dbraw/zinc/49/70/25/1084497025.db2.gz YXURFMGFIIIYFW-MOPGFXCFSA-N 2 1 368.521 4.075 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000414085899 1084497030 /nfs/dbraw/zinc/49/70/30/1084497030.db2.gz YXURFMGFIIIYFW-MOPGFXCFSA-N 2 1 368.521 4.075 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000472140910 1084507327 /nfs/dbraw/zinc/50/73/27/1084507327.db2.gz VNSAXKNEWZWDIQ-QHCPKHFHSA-N 2 1 364.533 4.303 20 0 FIADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](C3CCCC3)CC1)CCC2 ZINC000431355061 1084625276 /nfs/dbraw/zinc/62/52/76/1084625276.db2.gz YEUDBRWEVVKDQC-JOCHJYFZSA-N 2 1 354.538 4.386 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000511498324 1084664496 /nfs/dbraw/zinc/66/44/96/1084664496.db2.gz XZWVGMGQPQWFSW-KNQAVFIVSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000511498324 1084664502 /nfs/dbraw/zinc/66/45/02/1084664502.db2.gz XZWVGMGQPQWFSW-KNQAVFIVSA-N 2 1 374.532 4.230 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226910 1084780435 /nfs/dbraw/zinc/78/04/35/1084780435.db2.gz HYQBZXOAUJWBPN-HOCLYGCPSA-N 2 1 365.543 4.011 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226910 1084780442 /nfs/dbraw/zinc/78/04/42/1084780442.db2.gz HYQBZXOAUJWBPN-HOCLYGCPSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226910 1084780446 /nfs/dbraw/zinc/78/04/46/1084780446.db2.gz HYQBZXOAUJWBPN-HOCLYGCPSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226910 1084780454 /nfs/dbraw/zinc/78/04/54/1084780454.db2.gz HYQBZXOAUJWBPN-HOCLYGCPSA-N 2 1 365.543 4.011 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000582281759 1084833183 /nfs/dbraw/zinc/83/31/83/1084833183.db2.gz FUARZKLMNRNTPS-BUKVSMQUSA-N 2 1 362.477 4.147 20 0 FIADMP CC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000414272614 1084952072 /nfs/dbraw/zinc/95/20/72/1084952072.db2.gz QFZDBMOATSJBLH-OAHLLOKOSA-N 2 1 360.439 4.401 20 0 FIADMP COCc1csc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000657415575 1084957734 /nfs/dbraw/zinc/95/77/34/1084957734.db2.gz LAFINQVDDKSEHK-PKOBYXMFSA-N 2 1 358.551 4.285 20 0 FIADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001167573360 1084992645 /nfs/dbraw/zinc/99/26/45/1084992645.db2.gz VKNLBHHDVKEEFE-AKIFATBCSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573360 1084992647 /nfs/dbraw/zinc/99/26/47/1084992647.db2.gz VKNLBHHDVKEEFE-AKIFATBCSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573360 1084992649 /nfs/dbraw/zinc/99/26/49/1084992649.db2.gz VKNLBHHDVKEEFE-AKIFATBCSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000472584092 1085049772 /nfs/dbraw/zinc/04/97/72/1085049772.db2.gz GOVNTAOTMZVGSZ-XIQMRYHBSA-N 2 1 369.597 4.361 20 0 FIADMP COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486512 1085063669 /nfs/dbraw/zinc/06/36/69/1085063669.db2.gz MMTBVBQFADEVRA-LEWJYISDSA-N 2 1 368.521 4.014 20 0 FIADMP COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486512 1085063676 /nfs/dbraw/zinc/06/36/76/1085063676.db2.gz MMTBVBQFADEVRA-LEWJYISDSA-N 2 1 368.521 4.014 20 0 FIADMP c1[nH+]c2n(c1CNc1ccc(SCC[NH+]3CCCCC3)cc1)CCC2 ZINC000657498976 1085255575 /nfs/dbraw/zinc/25/55/75/1085255575.db2.gz QCAPWAYRLBPCQA-UHFFFAOYSA-N 2 1 356.539 4.019 20 0 FIADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000626062081 1085273109 /nfs/dbraw/zinc/27/31/09/1085273109.db2.gz FUKLFWRPEOQTCK-KRWDZBQOSA-N 2 1 364.493 4.381 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000626062081 1085273122 /nfs/dbraw/zinc/27/31/22/1085273122.db2.gz FUKLFWRPEOQTCK-KRWDZBQOSA-N 2 1 364.493 4.381 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000511188366 1085521146 /nfs/dbraw/zinc/52/11/46/1085521146.db2.gz OPGHDVHEPCUSMT-UHFFFAOYSA-N 2 1 353.510 4.232 20 0 FIADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806920 1085595150 /nfs/dbraw/zinc/59/51/50/1085595150.db2.gz YVMIQNCMAITBPW-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784589 1085722017 /nfs/dbraw/zinc/72/20/17/1085722017.db2.gz DFBLSLGDSCXFTI-XZOQPEGZSA-N 2 1 364.533 4.031 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784589 1085722026 /nfs/dbraw/zinc/72/20/26/1085722026.db2.gz DFBLSLGDSCXFTI-XZOQPEGZSA-N 2 1 364.533 4.031 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844802 1085821633 /nfs/dbraw/zinc/82/16/33/1085821633.db2.gz NQBXNGREMGYUAW-IRLDBZIGSA-N 3 1 357.586 4.284 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844802 1085821640 /nfs/dbraw/zinc/82/16/40/1085821640.db2.gz NQBXNGREMGYUAW-IRLDBZIGSA-N 3 1 357.586 4.284 20 0 FIADMP COc1ccc(Oc2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090846584 1085897923 /nfs/dbraw/zinc/89/79/23/1085897923.db2.gz BUPCDTQZWGNQOS-VQTJNVASSA-N 2 1 366.505 4.246 20 0 FIADMP c1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957381 1085961738 /nfs/dbraw/zinc/96/17/38/1085961738.db2.gz UAVYKYVMJANYLU-YADHBBJMSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957381 1085961747 /nfs/dbraw/zinc/96/17/47/1085961747.db2.gz UAVYKYVMJANYLU-YADHBBJMSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957381 1085961749 /nfs/dbraw/zinc/96/17/49/1085961749.db2.gz UAVYKYVMJANYLU-YADHBBJMSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957381 1085961754 /nfs/dbraw/zinc/96/17/54/1085961754.db2.gz UAVYKYVMJANYLU-YADHBBJMSA-N 2 1 373.500 4.296 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164657517 1085966812 /nfs/dbraw/zinc/96/68/12/1085966812.db2.gz PHKXTWZHGRTJLU-AWEZNQCLSA-N 2 1 355.511 4.149 20 0 FIADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663097537 1085990296 /nfs/dbraw/zinc/99/02/96/1085990296.db2.gz ZZDBXPQZFIENGO-JOCHJYFZSA-N 2 1 352.526 4.052 20 0 FIADMP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647379 1086024377 /nfs/dbraw/zinc/02/43/77/1086024377.db2.gz MBWRTMSTDMLFLE-FYYLOGMGSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647379 1086024382 /nfs/dbraw/zinc/02/43/82/1086024382.db2.gz MBWRTMSTDMLFLE-FYYLOGMGSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647379 1086024400 /nfs/dbraw/zinc/02/44/00/1086024400.db2.gz MBWRTMSTDMLFLE-FYYLOGMGSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001167647379 1086024407 /nfs/dbraw/zinc/02/44/07/1086024407.db2.gz MBWRTMSTDMLFLE-FYYLOGMGSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647379 1086024420 /nfs/dbraw/zinc/02/44/20/1086024420.db2.gz MBWRTMSTDMLFLE-FYYLOGMGSA-N 2 1 350.506 4.182 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@H]21 ZINC001167648327 1086027396 /nfs/dbraw/zinc/02/73/96/1086027396.db2.gz SMCFXJIYYUDDTP-NFBKMPQASA-N 2 1 368.496 4.321 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@H]21 ZINC001167648327 1086027404 /nfs/dbraw/zinc/02/74/04/1086027404.db2.gz SMCFXJIYYUDDTP-NFBKMPQASA-N 2 1 368.496 4.321 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@H]21 ZINC001167648327 1086027411 /nfs/dbraw/zinc/02/74/11/1086027411.db2.gz SMCFXJIYYUDDTP-NFBKMPQASA-N 2 1 368.496 4.321 20 0 FIADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2csc(-c3ccccn3)n2)cc1 ZINC000124059127 1086349538 /nfs/dbraw/zinc/34/95/38/1086349538.db2.gz PXEOWOPQCDARHI-UHFFFAOYSA-N 2 1 366.534 4.337 20 0 FIADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662260326 1086381257 /nfs/dbraw/zinc/38/12/57/1086381257.db2.gz LJGCUBNWNJTZRW-JOCHJYFZSA-N 2 1 360.505 4.039 20 0 FIADMP Clc1cccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294056 1086398946 /nfs/dbraw/zinc/39/89/46/1086398946.db2.gz AMSFPTGBOGBQFN-KRWDZBQOSA-N 2 1 359.901 4.207 20 0 FIADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293722 1086400027 /nfs/dbraw/zinc/40/00/27/1086400027.db2.gz MMNVSZOITBJOGU-GDBMZVCRSA-N 2 1 362.468 4.204 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297820 1086401253 /nfs/dbraw/zinc/40/12/53/1086401253.db2.gz SGXWCTUGXKNSKY-QUCCMNQESA-N 2 1 371.569 4.157 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H]1CCC[NH3+] ZINC000662318444 1086413443 /nfs/dbraw/zinc/41/34/43/1086413443.db2.gz ZIHPSDGFSUURQS-XMSQKQJNSA-N 2 1 353.510 4.000 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346945 1086447465 /nfs/dbraw/zinc/44/74/65/1086447465.db2.gz YIUGVEFSBXSSLK-SFHVURJKSA-N 2 1 353.485 4.099 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346945 1086447468 /nfs/dbraw/zinc/44/74/68/1086447468.db2.gz YIUGVEFSBXSSLK-SFHVURJKSA-N 2 1 353.485 4.099 20 0 FIADMP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2ccccc2)[NH+]2CCCC2)c(O)c1 ZINC000005228414 1086560873 /nfs/dbraw/zinc/56/08/73/1086560873.db2.gz PHKHAKDAINUNQU-ZRZWOPFXSA-N 2 1 365.521 4.494 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000657751325 1086561415 /nfs/dbraw/zinc/56/14/15/1086561415.db2.gz QBQHXJGERFKSMZ-GCJKJVERSA-N 2 1 358.570 4.006 20 0 FIADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000663478038 1086585957 /nfs/dbraw/zinc/58/59/57/1086585957.db2.gz JVXCNENGXMQROB-OAQYLSRUSA-N 2 1 362.533 4.117 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167823891 1086603898 /nfs/dbraw/zinc/60/38/98/1086603898.db2.gz AEJMRYPSSBJNPN-SFHVURJKSA-N 2 1 369.594 4.218 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)c2C1 ZINC001143528271 1086623346 /nfs/dbraw/zinc/62/33/46/1086623346.db2.gz LACMTMGXIMVEIE-UHFFFAOYSA-N 2 1 362.477 4.269 20 0 FIADMP C[C@H]1C[C@@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000525641288 1086669070 /nfs/dbraw/zinc/66/90/70/1086669070.db2.gz ICHJBCDEXATZJG-HKUYNNGSSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@H]1C[C@@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641288 1086669075 /nfs/dbraw/zinc/66/90/75/1086669075.db2.gz ICHJBCDEXATZJG-HKUYNNGSSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@H]1C[C@@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641288 1086669078 /nfs/dbraw/zinc/66/90/78/1086669078.db2.gz ICHJBCDEXATZJG-HKUYNNGSSA-N 2 1 372.557 4.055 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001167838252 1086712406 /nfs/dbraw/zinc/71/24/06/1086712406.db2.gz SNJPBYITHWHYDQ-XLIONFOSSA-N 2 1 352.950 4.398 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001167840006 1086718816 /nfs/dbraw/zinc/71/88/16/1086718816.db2.gz DGITWYTUBMDYIA-FHWLQOOXSA-N 2 1 369.594 4.265 20 0 FIADMP C[C@@H](COc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941297 1086722492 /nfs/dbraw/zinc/72/24/92/1086722492.db2.gz TULDZLGIEAROIT-FPOVZHCZSA-N 2 1 350.506 4.241 20 0 FIADMP C[C@@H](COc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941297 1086722500 /nfs/dbraw/zinc/72/25/00/1086722500.db2.gz TULDZLGIEAROIT-FPOVZHCZSA-N 2 1 350.506 4.241 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167841368 1086736399 /nfs/dbraw/zinc/73/63/99/1086736399.db2.gz LMOCSOPUWNDZIS-LADGPHEKSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167841368 1086736404 /nfs/dbraw/zinc/73/64/04/1086736404.db2.gz LMOCSOPUWNDZIS-LADGPHEKSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167841368 1086736406 /nfs/dbraw/zinc/73/64/06/1086736406.db2.gz LMOCSOPUWNDZIS-LADGPHEKSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841368 1086736410 /nfs/dbraw/zinc/73/64/10/1086736410.db2.gz LMOCSOPUWNDZIS-LADGPHEKSA-N 2 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841368 1086736412 /nfs/dbraw/zinc/73/64/12/1086736412.db2.gz LMOCSOPUWNDZIS-LADGPHEKSA-N 2 1 371.613 4.485 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CCCO1 ZINC000432419076 1086743102 /nfs/dbraw/zinc/74/31/02/1086743102.db2.gz YSVUTKZZOWSYEQ-KPFFTGBYSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CCCO1 ZINC000432419076 1086743108 /nfs/dbraw/zinc/74/31/08/1086743108.db2.gz YSVUTKZZOWSYEQ-KPFFTGBYSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432420745 1086743183 /nfs/dbraw/zinc/74/31/83/1086743183.db2.gz MDAQZADSVRHOHJ-DLBZAZTESA-N 2 1 372.475 4.117 20 0 FIADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432420745 1086743187 /nfs/dbraw/zinc/74/31/87/1086743187.db2.gz MDAQZADSVRHOHJ-DLBZAZTESA-N 2 1 372.475 4.117 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427670397 1086748317 /nfs/dbraw/zinc/74/83/17/1086748317.db2.gz DXOWZCVLJYMPSN-MAUKXSAKSA-N 2 1 369.475 4.435 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432424577 1086748529 /nfs/dbraw/zinc/74/85/29/1086748529.db2.gz PGUFCYTUUKMARB-WIYYLYMNSA-N 2 1 360.542 4.114 20 0 FIADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432430011 1086757810 /nfs/dbraw/zinc/75/78/10/1086757810.db2.gz RJRVIGFAGMOSGL-ZWKOTPCHSA-N 2 1 350.572 4.339 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)CCCO1 ZINC000432438713 1086769023 /nfs/dbraw/zinc/76/90/23/1086769023.db2.gz BWWNYPGWLVSIHF-NZQKXSOJSA-N 2 1 352.522 4.061 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449328 1086780585 /nfs/dbraw/zinc/78/05/85/1086780585.db2.gz VEBHWGPQDFNSLN-LSTHTHJFSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449328 1086780597 /nfs/dbraw/zinc/78/05/97/1086780597.db2.gz VEBHWGPQDFNSLN-LSTHTHJFSA-N 2 1 350.934 4.067 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771556 1086798919 /nfs/dbraw/zinc/79/89/19/1086798919.db2.gz CXZHKLKPOZPGPO-FKBYEOEOSA-N 2 1 356.554 4.082 20 0 FIADMP CCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657771756 1086802094 /nfs/dbraw/zinc/80/20/94/1086802094.db2.gz FVSOCUQUTJQFDX-SFHVURJKSA-N 2 1 355.551 4.097 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000052442087 1086802924 /nfs/dbraw/zinc/80/29/24/1086802924.db2.gz JIEUUTGTZCMYCC-LJQANCHMSA-N 2 1 372.475 4.183 20 0 FIADMP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382383441 1086888572 /nfs/dbraw/zinc/88/85/72/1086888572.db2.gz RYGONTZBJOJNTF-JOCHJYFZSA-N 2 1 352.522 4.476 20 0 FIADMP CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660780 1086903081 /nfs/dbraw/zinc/90/30/81/1086903081.db2.gz MDMYYOSXXNQVBZ-WWPVKYPJSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000132840732 1087106363 /nfs/dbraw/zinc/10/63/63/1087106363.db2.gz CFOYRPIMRGLBEO-ZIAGYGMSSA-N 2 1 357.325 4.145 20 0 FIADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)cc1 ZINC000091265913 1087426579 /nfs/dbraw/zinc/42/65/79/1087426579.db2.gz YKQUIUCWYUPDCV-HSZRJFAPSA-N 2 1 368.521 4.014 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc(F)cn1 ZINC000092752552 1087447993 /nfs/dbraw/zinc/44/79/93/1087447993.db2.gz XPMYTBULPJKDOZ-MRXNPFEDSA-N 2 1 353.441 4.297 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000093079887 1087451962 /nfs/dbraw/zinc/45/19/62/1087451962.db2.gz CTPITWUSQKEGMP-XXBNENTESA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000093079887 1087451965 /nfs/dbraw/zinc/45/19/65/1087451965.db2.gz CTPITWUSQKEGMP-XXBNENTESA-N 2 1 374.532 4.230 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(C)ccc1OC ZINC000093370262 1087461338 /nfs/dbraw/zinc/46/13/38/1087461338.db2.gz AZQWPNAUUMUVQV-QFIPXVFZSA-N 2 1 368.521 4.077 20 0 FIADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000166115972 1087510629 /nfs/dbraw/zinc/51/06/29/1087510629.db2.gz LKGQCFPLPFUFFG-UHFFFAOYSA-N 2 1 350.506 4.183 20 0 FIADMP c1c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)onc1-c1ccccc1 ZINC000685414057 1087562140 /nfs/dbraw/zinc/56/21/40/1087562140.db2.gz ZOCGMJQTSAEWLL-UHFFFAOYSA-N 2 1 370.456 4.212 20 0 FIADMP c1ccc(C2CCC(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000685424250 1087564871 /nfs/dbraw/zinc/56/48/71/1087564871.db2.gz JDWFBVQDMUAPGC-POOLCLQXSA-N 2 1 356.554 4.193 20 0 FIADMP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470127 1087578282 /nfs/dbraw/zinc/57/82/82/1087578282.db2.gz ZEYLIQHGSNNQOK-QFIPXVFZSA-N 2 1 353.510 4.139 20 0 FIADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000685644943 1087655544 /nfs/dbraw/zinc/65/55/44/1087655544.db2.gz LUGMTANXFGPNBK-XJUOHMSHSA-N 2 1 350.506 4.195 20 0 FIADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029153 1087698797 /nfs/dbraw/zinc/69/87/97/1087698797.db2.gz HCBPZHAAFRNVDM-IPQPSQTFSA-N 2 1 365.359 4.231 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658136383 1087725412 /nfs/dbraw/zinc/72/54/12/1087725412.db2.gz GYXYEVUFTKRUHK-UGKGYDQZSA-N 2 1 374.475 4.018 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137321 1087742119 /nfs/dbraw/zinc/74/21/19/1087742119.db2.gz GLFMTADMPPNYJJ-SJORKVTESA-N 2 1 364.942 4.209 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000472357265 1087745753 /nfs/dbraw/zinc/74/57/53/1087745753.db2.gz YXYGQHXMIHSOKI-UYAOXDASSA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000472357265 1087745767 /nfs/dbraw/zinc/74/57/67/1087745767.db2.gz YXYGQHXMIHSOKI-UYAOXDASSA-N 2 1 355.551 4.193 20 0 FIADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccccc3Cl)cs1)CC[NH2+]CC2 ZINC000424289666 1087898899 /nfs/dbraw/zinc/89/88/99/1087898899.db2.gz MGIFNTTVDXABLZ-CQSZACIVSA-N 2 1 361.942 4.428 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351871 1087938387 /nfs/dbraw/zinc/93/83/87/1087938387.db2.gz PLPWWRSOCPHVGR-PPGORRQASA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351871 1087938393 /nfs/dbraw/zinc/93/83/93/1087938393.db2.gz PLPWWRSOCPHVGR-PPGORRQASA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351868 1087938448 /nfs/dbraw/zinc/93/84/48/1087938448.db2.gz PLPWWRSOCPHVGR-LLVBAIKDSA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351868 1087938452 /nfs/dbraw/zinc/93/84/52/1087938452.db2.gz PLPWWRSOCPHVGR-LLVBAIKDSA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343564 1087953213 /nfs/dbraw/zinc/95/32/13/1087953213.db2.gz FTIAOXXFZRAASJ-ZQGJOIPISA-N 2 1 356.554 4.082 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000504896670 1087968817 /nfs/dbraw/zinc/96/88/17/1087968817.db2.gz ZDYQTFLXIBOYHO-XXBNENTESA-N 2 1 363.549 4.081 20 0 FIADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647543579 1088029610 /nfs/dbraw/zinc/02/96/10/1088029610.db2.gz PTJBAYJIPNWBHL-ROUUACIJSA-N 2 1 371.550 4.030 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544252 1088032415 /nfs/dbraw/zinc/03/24/15/1088032415.db2.gz YODNSZYZKYNGFE-VQTJNVASSA-N 2 1 353.485 4.099 20 0 FIADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000423385590 1088184571 /nfs/dbraw/zinc/18/45/71/1088184571.db2.gz GRUWOCIHMFERQW-KMDXXIMOSA-N 2 1 359.517 4.265 20 0 FIADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000423385589 1088184705 /nfs/dbraw/zinc/18/47/05/1088184705.db2.gz GRUWOCIHMFERQW-HJOGWXRNSA-N 2 1 359.517 4.265 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000472613645 1088236587 /nfs/dbraw/zinc/23/65/87/1088236587.db2.gz SNWJGDXURMQIRM-UHFFFAOYSA-N 2 1 352.526 4.056 20 0 FIADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819459 1088415211 /nfs/dbraw/zinc/41/52/11/1088415211.db2.gz XISUXZLMVDTKMO-HNNXBMFYSA-N 2 1 371.352 4.489 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000659284820 1088421882 /nfs/dbraw/zinc/42/18/82/1088421882.db2.gz HQIDJRNTLLIJSR-VGOFRKELSA-N 2 1 363.505 4.092 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)C[C@H](C)O1 ZINC000513859851 1088454403 /nfs/dbraw/zinc/45/44/03/1088454403.db2.gz QMBYOWGDEIOFGA-SAHWJRBASA-N 2 1 368.496 4.212 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339110 1088457617 /nfs/dbraw/zinc/45/76/17/1088457617.db2.gz WRFBUUWXMLBGPZ-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000513897367 1088508335 /nfs/dbraw/zinc/50/83/35/1088508335.db2.gz POGJCGBPDAIPNZ-AWEZNQCLSA-N 2 1 362.518 4.069 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000892698023 1088741346 /nfs/dbraw/zinc/74/13/46/1088741346.db2.gz XPHZSFUPVSGJDI-UHFFFAOYSA-N 2 1 371.472 4.378 20 0 FIADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000514129807 1088775830 /nfs/dbraw/zinc/77/58/30/1088775830.db2.gz BTEARYHEHMXBCS-SFHVURJKSA-N 2 1 353.510 4.321 20 0 FIADMP CC(C)Oc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434680582 1088929105 /nfs/dbraw/zinc/92/91/05/1088929105.db2.gz JUXQHJIMHCHMAE-UHFFFAOYSA-N 2 1 353.510 4.386 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415084497 1089140958 /nfs/dbraw/zinc/14/09/58/1089140958.db2.gz RJLGIYYKORRHKV-XUVXKRRUSA-N 2 1 355.457 4.023 20 0 FIADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089312 1089147179 /nfs/dbraw/zinc/14/71/79/1089147179.db2.gz WDFDOBBLHPIABN-MTQWCTHYSA-N 2 1 361.599 4.031 20 0 FIADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549236668 1089310309 /nfs/dbraw/zinc/31/03/09/1089310309.db2.gz DBGXKGOQMMKLIC-RMGXSAEISA-N 2 1 362.945 4.269 20 0 FIADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1Br ZINC001167958449 1089419647 /nfs/dbraw/zinc/41/96/47/1089419647.db2.gz DZTRDDMVMCLAMR-MQVJKMGUSA-N 2 1 367.306 4.083 20 0 FIADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1Br ZINC001167958449 1089419654 /nfs/dbraw/zinc/41/96/54/1089419654.db2.gz DZTRDDMVMCLAMR-MQVJKMGUSA-N 2 1 367.306 4.083 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369357 1089579857 /nfs/dbraw/zinc/57/98/57/1089579857.db2.gz DVZUXZMESFZNDK-DOTOQJQBSA-N 2 1 371.912 4.152 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380852 1089586731 /nfs/dbraw/zinc/58/67/31/1089586731.db2.gz UBDNPFFDWAGFDA-LSDHHAIUSA-N 2 1 360.933 4.128 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380852 1089586751 /nfs/dbraw/zinc/58/67/51/1089586751.db2.gz UBDNPFFDWAGFDA-LSDHHAIUSA-N 2 1 360.933 4.128 20 0 FIADMP c1c2ccccc2sc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387476 1089594079 /nfs/dbraw/zinc/59/40/79/1089594079.db2.gz AIKVYDURPOEPSA-IBGZPJMESA-N 2 1 351.519 4.441 20 0 FIADMP c1c2ccccc2sc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387476 1089594086 /nfs/dbraw/zinc/59/40/86/1089594086.db2.gz AIKVYDURPOEPSA-IBGZPJMESA-N 2 1 351.519 4.441 20 0 FIADMP c1cc(C[N@@H+](Cc2cccc3cccnc32)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427315 1089645469 /nfs/dbraw/zinc/64/54/69/1089645469.db2.gz MGWLSWWJQRARJJ-FQEVSTJZSA-N 2 1 363.530 4.441 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000377675391 1089662893 /nfs/dbraw/zinc/66/28/93/1089662893.db2.gz GQZWIMQLDUVEAK-UHFFFAOYSA-N 2 1 356.445 4.132 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163948032 1090284319 /nfs/dbraw/zinc/28/43/19/1090284319.db2.gz RMFMPFYOSOYWII-QGZVFWFLSA-N 2 1 374.550 4.089 20 0 FIADMP C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000312268565 1090466992 /nfs/dbraw/zinc/46/69/92/1090466992.db2.gz IDNKCCWJQVEJEQ-JPYJTQIMSA-N 2 1 362.521 4.136 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310969 1090805382 /nfs/dbraw/zinc/80/53/82/1090805382.db2.gz LELUWSLBEXWJAN-FYZZASKESA-N 2 1 354.563 4.394 20 0 FIADMP CC[N@@H+](CCCc1cnccc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584806903 1090908556 /nfs/dbraw/zinc/90/85/56/1090908556.db2.gz RUDMXCHYNPJDDW-JOCHJYFZSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1cnccc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584806903 1090908558 /nfs/dbraw/zinc/90/85/58/1090908558.db2.gz RUDMXCHYNPJDDW-JOCHJYFZSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1cnccc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584806903 1090908563 /nfs/dbraw/zinc/90/85/63/1090908563.db2.gz RUDMXCHYNPJDDW-JOCHJYFZSA-N 2 1 351.538 4.167 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190760784 1091029953 /nfs/dbraw/zinc/02/99/53/1091029953.db2.gz NSMLQUWCBSJAMM-UHFFFAOYSA-N 2 1 350.865 4.315 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190760784 1091029961 /nfs/dbraw/zinc/02/99/61/1091029961.db2.gz NSMLQUWCBSJAMM-UHFFFAOYSA-N 2 1 350.865 4.315 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190760784 1091029969 /nfs/dbraw/zinc/02/99/69/1091029969.db2.gz NSMLQUWCBSJAMM-UHFFFAOYSA-N 2 1 350.865 4.315 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390685395 1091399195 /nfs/dbraw/zinc/39/91/95/1091399195.db2.gz XPVVBLFSSASETL-XMSQKQJNSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390685395 1091399204 /nfs/dbraw/zinc/39/92/04/1091399204.db2.gz XPVVBLFSSASETL-XMSQKQJNSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H](c1nc2ccccc2o1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236290 1091944568 /nfs/dbraw/zinc/94/45/68/1091944568.db2.gz GJJOHFLJARPCAI-JPYJTQIMSA-N 2 1 361.489 4.487 20 0 FIADMP COc1cccc([C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235735 1091945115 /nfs/dbraw/zinc/94/51/15/1091945115.db2.gz CVNPQRCSNPLVNW-AUSIDOKSSA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235735 1091945120 /nfs/dbraw/zinc/94/51/20/1091945120.db2.gz CVNPQRCSNPLVNW-AUSIDOKSSA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235735 1091945125 /nfs/dbraw/zinc/94/51/25/1091945125.db2.gz CVNPQRCSNPLVNW-AUSIDOKSSA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235735 1091945126 /nfs/dbraw/zinc/94/51/26/1091945126.db2.gz CVNPQRCSNPLVNW-AUSIDOKSSA-N 2 1 350.506 4.354 20 0 FIADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237459 1091946521 /nfs/dbraw/zinc/94/65/21/1091946521.db2.gz RJZZTCQVMSMWKO-RPWUZVMVSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237459 1091946524 /nfs/dbraw/zinc/94/65/24/1091946524.db2.gz RJZZTCQVMSMWKO-RPWUZVMVSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237459 1091946528 /nfs/dbraw/zinc/94/65/28/1091946528.db2.gz RJZZTCQVMSMWKO-RPWUZVMVSA-N 2 1 364.533 4.362 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000236859609 1092070086 /nfs/dbraw/zinc/07/00/86/1092070086.db2.gz PORMDSNBODFSPR-MJGOQNOKSA-N 2 1 367.578 4.019 20 0 FIADMP Fc1ccc2[nH]cc(CCC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000500522952 1092183403 /nfs/dbraw/zinc/18/34/03/1092183403.db2.gz ABKMPIACBRMCQT-UHFFFAOYSA-N 2 1 365.496 4.494 20 0 FIADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000512382581 1092196726 /nfs/dbraw/zinc/19/67/26/1092196726.db2.gz JZESFIPLEUWIQJ-FRIKZZABSA-N 2 1 350.506 4.467 20 0 FIADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1F ZINC000665259265 1092267933 /nfs/dbraw/zinc/26/79/33/1092267933.db2.gz ADXSOSQHWXOYCG-OWQGQXMQSA-N 2 1 370.459 4.083 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012412 1092335282 /nfs/dbraw/zinc/33/52/82/1092335282.db2.gz ZRCKQGVIRGEAFC-IRJINJETSA-N 3 1 365.565 4.279 20 0 FIADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012412 1092335294 /nfs/dbraw/zinc/33/52/94/1092335294.db2.gz ZRCKQGVIRGEAFC-IRJINJETSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012412 1092335308 /nfs/dbraw/zinc/33/53/08/1092335308.db2.gz ZRCKQGVIRGEAFC-IRJINJETSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168012412 1092335318 /nfs/dbraw/zinc/33/53/18/1092335318.db2.gz ZRCKQGVIRGEAFC-IRJINJETSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@H]1CC(NCC[N@@H+](C)Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012506 1092340126 /nfs/dbraw/zinc/34/01/26/1092340126.db2.gz BCRBKECNTXGBTO-SFTDATJTSA-N 2 1 365.565 4.150 20 0 FIADMP C[C@H]1CC([NH2+]CCN(C)Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012506 1092340137 /nfs/dbraw/zinc/34/01/37/1092340137.db2.gz BCRBKECNTXGBTO-SFTDATJTSA-N 2 1 365.565 4.150 20 0 FIADMP COc1cc([C@H](C)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016648 1092425233 /nfs/dbraw/zinc/42/52/33/1092425233.db2.gz QGBCDIFIFFXLHY-HKUYNNGSSA-N 2 1 371.500 4.182 20 0 FIADMP C[C@H](O)[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1F ZINC000563262847 1092436034 /nfs/dbraw/zinc/43/60/34/1092436034.db2.gz SLQGKXAMXNJTDN-VJNDCXKWSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237478433 1092500260 /nfs/dbraw/zinc/50/02/60/1092500260.db2.gz ZUJVOWGZHBQOQQ-XMSQKQJNSA-N 2 1 365.521 4.337 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000474032048 1092537129 /nfs/dbraw/zinc/53/71/29/1092537129.db2.gz IJUKJUYFOCPWMS-KPUOSGPGSA-N 2 1 356.554 4.397 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000474032057 1092537791 /nfs/dbraw/zinc/53/77/91/1092537791.db2.gz IJUKJUYFOCPWMS-WENLIBGGSA-N 2 1 356.554 4.397 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014151 1092684432 /nfs/dbraw/zinc/68/44/32/1092684432.db2.gz KPYDTVPKJVJSLT-OPVJXMOQSA-N 2 1 373.585 4.428 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000521514305 1092733282 /nfs/dbraw/zinc/73/32/82/1092733282.db2.gz SAZFNTLNECKGFV-UHFFFAOYSA-N 2 1 373.451 4.026 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000521514305 1092733288 /nfs/dbraw/zinc/73/32/88/1092733288.db2.gz SAZFNTLNECKGFV-UHFFFAOYSA-N 2 1 373.451 4.026 20 0 FIADMP Fc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000047972021 1092742945 /nfs/dbraw/zinc/74/29/45/1092742945.db2.gz XGXDKGBFOZZPAX-UHFFFAOYSA-N 2 1 359.514 4.257 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776141 1092756948 /nfs/dbraw/zinc/75/69/48/1092756948.db2.gz GUAMTOXNGFHNER-IAGOWNOFSA-N 2 1 365.546 4.198 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776141 1092756952 /nfs/dbraw/zinc/75/69/52/1092756952.db2.gz GUAMTOXNGFHNER-IAGOWNOFSA-N 2 1 365.546 4.198 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@H]1c1cccs1 ZINC000442787048 1092762115 /nfs/dbraw/zinc/76/21/15/1092762115.db2.gz HBIPHBVHGSMHIT-VVBPWWLESA-N 2 1 365.546 4.369 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@H]1c1cccs1 ZINC000442787048 1092762121 /nfs/dbraw/zinc/76/21/21/1092762121.db2.gz HBIPHBVHGSMHIT-VVBPWWLESA-N 2 1 365.546 4.369 20 0 FIADMP C[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764664 1092762583 /nfs/dbraw/zinc/76/25/83/1092762583.db2.gz UOEBLJRFQNDIEA-SJPCQFCGSA-N 2 1 358.432 4.472 20 0 FIADMP C[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764664 1092762589 /nfs/dbraw/zinc/76/25/89/1092762589.db2.gz UOEBLJRFQNDIEA-SJPCQFCGSA-N 2 1 358.432 4.472 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000442788730 1092768348 /nfs/dbraw/zinc/76/83/48/1092768348.db2.gz XJORLHVYBXGJFJ-MISYRCLQSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC[N@H+]1Cc1ccccc1 ZINC000442788730 1092768358 /nfs/dbraw/zinc/76/83/58/1092768358.db2.gz XJORLHVYBXGJFJ-MISYRCLQSA-N 2 1 359.517 4.278 20 0 FIADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000549817999 1092843576 /nfs/dbraw/zinc/84/35/76/1092843576.db2.gz KTUNHNHTOCXRII-ILWGZMRPSA-N 2 1 372.553 4.000 20 0 FIADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110430631 1092875322 /nfs/dbraw/zinc/87/53/22/1092875322.db2.gz BBUSTTIOUWKNMR-BBWFWOEESA-N 2 1 350.934 4.222 20 0 FIADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000521830263 1092933449 /nfs/dbraw/zinc/93/34/49/1092933449.db2.gz LVPCIUAKTCYYBK-QFIPXVFZSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000245689283 1092948406 /nfs/dbraw/zinc/94/84/06/1092948406.db2.gz KAZHVCUSKIFONH-VXDOVQPVSA-N 2 1 368.496 4.033 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205258 1092990871 /nfs/dbraw/zinc/99/08/71/1092990871.db2.gz SAQKVCYNIGHMTD-DQLDELGASA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205258 1092990877 /nfs/dbraw/zinc/99/08/77/1092990877.db2.gz SAQKVCYNIGHMTD-DQLDELGASA-N 2 1 354.469 4.150 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512630987 1093037656 /nfs/dbraw/zinc/03/76/56/1093037656.db2.gz OZIITJAICSWKRU-DUXKGJEZSA-N 2 1 355.913 4.125 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512630987 1093037670 /nfs/dbraw/zinc/03/76/70/1093037670.db2.gz OZIITJAICSWKRU-DUXKGJEZSA-N 2 1 355.913 4.125 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168017576 1093153750 /nfs/dbraw/zinc/15/37/50/1093153750.db2.gz BDTDKSSTJPFNAR-HATOLVCRSA-N 2 1 350.506 4.291 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017576 1093153755 /nfs/dbraw/zinc/15/37/55/1093153755.db2.gz BDTDKSSTJPFNAR-HATOLVCRSA-N 2 1 350.506 4.291 20 0 FIADMP CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001168017949 1093158589 /nfs/dbraw/zinc/15/85/89/1093158589.db2.gz KZKLVGWPZHKRSD-UHFFFAOYSA-N 2 1 352.522 4.320 20 0 FIADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001168017949 1093158593 /nfs/dbraw/zinc/15/85/93/1093158593.db2.gz KZKLVGWPZHKRSD-UHFFFAOYSA-N 2 1 352.522 4.320 20 0 FIADMP [NH2+]=C(Nc1ccc(OCc2ccccc2)cc1C(F)(F)F)SCC[NH3+] ZINC001167916724 1093203585 /nfs/dbraw/zinc/20/35/85/1093203585.db2.gz WNIZPLUJUXLHHD-UHFFFAOYSA-N 2 1 369.412 4.323 20 0 FIADMP CC[C@@H](C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OC ZINC000419236420 1093230466 /nfs/dbraw/zinc/23/04/66/1093230466.db2.gz KQRUKAXMTDYVPI-SFHVURJKSA-N 2 1 358.448 4.027 20 0 FIADMP CC[C@@H](C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OC ZINC000419236420 1093230474 /nfs/dbraw/zinc/23/04/74/1093230474.db2.gz KQRUKAXMTDYVPI-SFHVURJKSA-N 2 1 358.448 4.027 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000512847724 1093446541 /nfs/dbraw/zinc/44/65/41/1093446541.db2.gz ZGEXOHZRWKSJCP-MRXNPFEDSA-N 2 1 374.960 4.497 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000512847724 1093446545 /nfs/dbraw/zinc/44/65/45/1093446545.db2.gz ZGEXOHZRWKSJCP-MRXNPFEDSA-N 2 1 374.960 4.497 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033281 1093709334 /nfs/dbraw/zinc/70/93/34/1093709334.db2.gz KPUCSGJZRUSSFX-JHDGKUDLSA-N 2 1 363.549 4.436 20 0 FIADMP CC(C)C[NH+]1CCC(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168033362 1093713850 /nfs/dbraw/zinc/71/38/50/1093713850.db2.gz KQRIPTMDPSTZTB-SFTDATJTSA-N 2 1 371.613 4.386 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033626 1093722802 /nfs/dbraw/zinc/72/28/02/1093722802.db2.gz MVKWEJVRTFTAJF-JHDGKUDLSA-N 3 1 369.597 4.282 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168033626 1093722807 /nfs/dbraw/zinc/72/28/07/1093722807.db2.gz MVKWEJVRTFTAJF-JHDGKUDLSA-N 2 1 369.597 4.282 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000052209914 1093768107 /nfs/dbraw/zinc/76/81/07/1093768107.db2.gz ANPAVRUPDOQFRB-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000052209914 1093768110 /nfs/dbraw/zinc/76/81/10/1093768110.db2.gz ANPAVRUPDOQFRB-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387471 1093803926 /nfs/dbraw/zinc/80/39/26/1093803926.db2.gz GQXWRMQCUQJNIH-GOSISDBHSA-N 2 1 360.505 4.152 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387471 1093803935 /nfs/dbraw/zinc/80/39/35/1093803935.db2.gz GQXWRMQCUQJNIH-GOSISDBHSA-N 2 1 360.505 4.152 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000474480203 1093825931 /nfs/dbraw/zinc/82/59/31/1093825931.db2.gz ZOMDBWKNXGJTCK-IPMKNSEASA-N 2 1 362.558 4.440 20 0 FIADMP C[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513160456 1093942755 /nfs/dbraw/zinc/94/27/55/1093942755.db2.gz PFIZFEQBESPFKJ-YOFSQIOKSA-N 2 1 366.505 4.415 20 0 FIADMP C[NH+](CCOc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513160456 1093942756 /nfs/dbraw/zinc/94/27/56/1093942756.db2.gz PFIZFEQBESPFKJ-YOFSQIOKSA-N 2 1 366.505 4.415 20 0 FIADMP C[NH+](CCOc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513160456 1093942757 /nfs/dbraw/zinc/94/27/57/1093942757.db2.gz PFIZFEQBESPFKJ-YOFSQIOKSA-N 2 1 366.505 4.415 20 0 FIADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000513340042 1094065861 /nfs/dbraw/zinc/06/58/61/1094065861.db2.gz GNAGGZSLMGIGDG-OIBXWCBGSA-N 2 1 351.538 4.464 20 0 FIADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000513340042 1094065869 /nfs/dbraw/zinc/06/58/69/1094065869.db2.gz GNAGGZSLMGIGDG-OIBXWCBGSA-N 2 1 351.538 4.464 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)c1 ZINC000513364821 1094081204 /nfs/dbraw/zinc/08/12/04/1094081204.db2.gz JMMNRTYYVWTDEL-QHCPKHFHSA-N 2 1 360.505 4.002 20 0 FIADMP Cc1ccn2c(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cnc2c1 ZINC000513494347 1094162108 /nfs/dbraw/zinc/16/21/08/1094162108.db2.gz HONRAUYGRIUZEU-PZJWPPBQSA-N 2 1 362.521 4.033 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513487302 1094165874 /nfs/dbraw/zinc/16/58/74/1094165874.db2.gz BAHDJNXHDOFFOR-GHTZIAJQSA-N 2 1 362.521 4.033 20 0 FIADMP CC(C)COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513637877 1094248414 /nfs/dbraw/zinc/24/84/14/1094248414.db2.gz NGIDCFRTXDUJHY-UHFFFAOYSA-N 2 1 352.522 4.476 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474598665 1094394367 /nfs/dbraw/zinc/39/43/67/1094394367.db2.gz JMFPOSFWRJXFDQ-BPKGMFCQSA-N 2 1 370.990 4.373 20 0 FIADMP COCC[NH+]1CCC([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474609591 1094426350 /nfs/dbraw/zinc/42/63/50/1094426350.db2.gz ZYAKJFHGLGEYGR-UHFFFAOYSA-N 2 1 359.341 4.017 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2CCCc2ccccc2)CC1 ZINC000501024322 1094441918 /nfs/dbraw/zinc/44/19/18/1094441918.db2.gz PEZANWNVCGDRQG-XMMPIXPASA-N 2 1 371.613 4.280 20 0 FIADMP C[N@@H+](CCSc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046156 1094452822 /nfs/dbraw/zinc/45/28/22/1094452822.db2.gz OTJKHHUKZLNIDS-UHFFFAOYSA-N 2 1 359.514 4.161 20 0 FIADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075146 1094494362 /nfs/dbraw/zinc/49/43/62/1094494362.db2.gz DGNMZKGULXTCHI-UHFFFAOYSA-N 2 1 363.427 4.449 20 0 FIADMP COc1ccc2c(c1)C[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001168041115 1094532563 /nfs/dbraw/zinc/53/25/63/1094532563.db2.gz QUBFLJUBWBAGBN-RTBURBONSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001168041115 1094532570 /nfs/dbraw/zinc/53/25/70/1094532570.db2.gz QUBFLJUBWBAGBN-RTBURBONSA-N 2 1 364.533 4.495 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](F)C(F)(F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041854 1094635191 /nfs/dbraw/zinc/63/51/91/1094635191.db2.gz WMYXXUDTHZCIJV-UKBAYJJMSA-N 2 1 354.460 4.497 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](F)C(F)(F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041854 1094635194 /nfs/dbraw/zinc/63/51/94/1094635194.db2.gz WMYXXUDTHZCIJV-UKBAYJJMSA-N 2 1 354.460 4.497 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000501390333 1094675002 /nfs/dbraw/zinc/67/50/02/1094675002.db2.gz VRJYTFNWOFCKMZ-AKFKNWHVSA-N 2 1 363.549 4.262 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414441863 1094767223 /nfs/dbraw/zinc/76/72/23/1094767223.db2.gz ZQBDHXATMJHWNK-SJLPKXTDSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414441863 1094767234 /nfs/dbraw/zinc/76/72/34/1094767234.db2.gz ZQBDHXATMJHWNK-SJLPKXTDSA-N 2 1 370.516 4.062 20 0 FIADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000513717001 1094791251 /nfs/dbraw/zinc/79/12/51/1094791251.db2.gz KYGSNYQXTDAADU-UHFFFAOYSA-N 2 1 368.569 4.003 20 0 FIADMP Cc1nc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000420316158 1094880153 /nfs/dbraw/zinc/88/01/53/1094880153.db2.gz XZETYZARHDLIOK-OXXUSNJHSA-N 2 1 359.901 4.424 20 0 FIADMP Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1 ZINC000414452265 1094897117 /nfs/dbraw/zinc/89/71/17/1094897117.db2.gz PEKHNDOIFIVHRX-DTHFOOOUSA-N 2 1 370.928 4.142 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000420375824 1094912988 /nfs/dbraw/zinc/91/29/88/1094912988.db2.gz PTMOYOUFJJZWOH-YJBOKZPZSA-N 2 1 370.390 4.160 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000420376670 1094913164 /nfs/dbraw/zinc/91/31/64/1094913164.db2.gz QYENFPPUXNTWMA-WBVHZDCISA-N 2 1 361.555 4.319 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)c2C1 ZINC000166934713 1095012662 /nfs/dbraw/zinc/01/26/62/1095012662.db2.gz CVNRQIWVVXFVMA-JTSKRJEESA-N 2 1 365.521 4.323 20 0 FIADMP c1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCC2)cc1 ZINC000420933431 1095175386 /nfs/dbraw/zinc/17/53/86/1095175386.db2.gz IXRUQUALLQPWSG-QHCPKHFHSA-N 2 1 350.506 4.150 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH2+]CC)cc1 ZINC000428314338 1095228596 /nfs/dbraw/zinc/22/85/96/1095228596.db2.gz ZVNFHRGQWCWHOT-UHFFFAOYSA-N 2 1 353.510 4.280 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)[nH+]1 ZINC000502250669 1095266174 /nfs/dbraw/zinc/26/61/74/1095266174.db2.gz ICUAEXRYNSIYBF-GHTZIAJQSA-N 2 1 350.510 4.070 20 0 FIADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000502453301 1095474053 /nfs/dbraw/zinc/47/40/53/1095474053.db2.gz PCLOEDOWMSGZCC-AVRDEDQJSA-N 2 1 356.510 4.206 20 0 FIADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(C3CC3)c2)[C@@H]1c1cnn(C)c1 ZINC000421347466 1095542099 /nfs/dbraw/zinc/54/20/99/1095542099.db2.gz VDKNKGFWKSSJNT-JTHBVZDNSA-N 2 1 366.553 4.203 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCSCC5)[C@@H]3C2)cc1 ZINC000421384110 1095586560 /nfs/dbraw/zinc/58/65/60/1095586560.db2.gz OWHBYWHNGQTVFA-BQJUDKOJSA-N 2 1 356.579 4.020 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000428327485 1095719791 /nfs/dbraw/zinc/71/97/91/1095719791.db2.gz TZCVDFQCPMPJQK-HOTGVXAUSA-N 2 1 352.469 4.339 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000428327485 1095719800 /nfs/dbraw/zinc/71/98/00/1095719800.db2.gz TZCVDFQCPMPJQK-HOTGVXAUSA-N 2 1 352.469 4.339 20 0 FIADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000421825794 1095938857 /nfs/dbraw/zinc/93/88/57/1095938857.db2.gz PHYBDBCTVXUAIA-OAHLLOKOSA-N 2 1 362.901 4.140 20 0 FIADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000421828418 1095942797 /nfs/dbraw/zinc/94/27/97/1095942797.db2.gz CPKWIURBRSWSGX-AWEZNQCLSA-N 2 1 374.916 4.075 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C2CC2)c(F)c1 ZINC000421831508 1095943551 /nfs/dbraw/zinc/94/35/51/1095943551.db2.gz LPTLLXMQFCZWPM-JOCHJYFZSA-N 2 1 369.484 4.247 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Oc3ccccc3)o2)C[C@H](C)O1 ZINC000503562797 1096465466 /nfs/dbraw/zinc/46/54/66/1096465466.db2.gz NMTCOZNTFCPWRE-HDICACEKSA-N 2 1 358.482 4.051 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422714190 1096467838 /nfs/dbraw/zinc/46/78/38/1096467838.db2.gz KTPHCZDRUXNVKW-RPWUZVMVSA-N 2 1 374.532 4.219 20 0 FIADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000503560365 1096474234 /nfs/dbraw/zinc/47/42/34/1096474234.db2.gz VJDTVDVSUOPWCJ-IBGZPJMESA-N 2 1 353.510 4.088 20 0 FIADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000503560365 1096474238 /nfs/dbraw/zinc/47/42/38/1096474238.db2.gz VJDTVDVSUOPWCJ-IBGZPJMESA-N 2 1 353.510 4.088 20 0 FIADMP CCOCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422892056 1096516075 /nfs/dbraw/zinc/51/60/75/1096516075.db2.gz XKYSUKHFENYHOI-NHCUHLMSSA-N 2 1 360.542 4.065 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000414705575 1096531236 /nfs/dbraw/zinc/53/12/36/1096531236.db2.gz FMYAAWYPQQDCNF-XLIONFOSSA-N 2 1 372.557 4.090 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423039602 1096556785 /nfs/dbraw/zinc/55/67/85/1096556785.db2.gz FRGWNEQPOOKNAM-ORAYPTAESA-N 2 1 364.411 4.001 20 0 FIADMP FC(F)(F)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423066523 1096562327 /nfs/dbraw/zinc/56/23/27/1096562327.db2.gz WWSNGHAHJHOZOI-ZIAGYGMSSA-N 2 1 354.338 4.431 20 0 FIADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)c2ccccc21 ZINC000423148076 1096587157 /nfs/dbraw/zinc/58/71/57/1096587157.db2.gz FFEHFQJSECUIKJ-IXDOHACOSA-N 2 1 361.258 4.310 20 0 FIADMP C[C@H]([NH2+]CC1(c2ccccc2Br)CCC1)c1c[nH+]ccc1N ZINC000423138865 1096594054 /nfs/dbraw/zinc/59/40/54/1096594054.db2.gz YLRDSDCRMBDECK-ZDUSSCGKSA-N 2 1 360.299 4.029 20 0 FIADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C(c1ccccc1)c1ccccc1 ZINC000423180978 1096606682 /nfs/dbraw/zinc/60/66/82/1096606682.db2.gz BPBZWEZSRQZGDI-HXUWFJFHSA-N 2 1 359.517 4.372 20 0 FIADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503950146 1096609669 /nfs/dbraw/zinc/60/96/69/1096609669.db2.gz SSNRVKSDAMDVOU-OUUBHVDSSA-N 2 1 364.480 4.322 20 0 FIADMP FC(F)(F)c1cccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)c1 ZINC000423187135 1096609910 /nfs/dbraw/zinc/60/99/10/1096609910.db2.gz LXSKDEAGEVESOW-LJQANCHMSA-N 2 1 363.427 4.321 20 0 FIADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1F ZINC000423193575 1096613586 /nfs/dbraw/zinc/61/35/86/1096613586.db2.gz XHTHWWHFDTWMFJ-FPOVZHCZSA-N 2 1 371.500 4.025 20 0 FIADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286334 1096634912 /nfs/dbraw/zinc/63/49/12/1096634912.db2.gz GPOSEOANDWTMGE-SNVBAGLBSA-N 2 1 368.344 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CC[NH2+]1 ZINC000423387054 1096662863 /nfs/dbraw/zinc/66/28/63/1096662863.db2.gz SIIVUUVNWHAGQX-CCKFTAQKSA-N 2 1 359.311 4.269 20 0 FIADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423447469 1096679286 /nfs/dbraw/zinc/67/92/86/1096679286.db2.gz PBSCCJAANYYHGU-DCAQKATOSA-N 2 1 368.344 4.267 20 0 FIADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423481093 1096698033 /nfs/dbraw/zinc/69/80/33/1096698033.db2.gz PSCRZEHHGZZSLP-WIYYLYMNSA-N 2 1 367.443 4.159 20 0 FIADMP CCc1ccccc1[C@@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423495041 1096707596 /nfs/dbraw/zinc/70/75/96/1096707596.db2.gz BLIWTZSOCJKAGQ-YCSHWKNNSA-N 2 1 363.549 4.034 20 0 FIADMP CO[C@H](C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000425418158 1098564610 /nfs/dbraw/zinc/56/46/10/1098564610.db2.gz IURJDBSNCBGQRN-LJQANCHMSA-N 2 1 370.459 4.027 20 0 FIADMP CO[C@H](C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000425418158 1098564624 /nfs/dbraw/zinc/56/46/24/1098564624.db2.gz IURJDBSNCBGQRN-LJQANCHMSA-N 2 1 370.459 4.027 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434029 1098616630 /nfs/dbraw/zinc/61/66/30/1098616630.db2.gz PDJUTCIDVHSCHX-KNQAVFIVSA-N 2 1 372.516 4.144 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434029 1098616636 /nfs/dbraw/zinc/61/66/36/1098616636.db2.gz PDJUTCIDVHSCHX-KNQAVFIVSA-N 2 1 372.516 4.144 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOC4(CCCC4)C2)C3)cc1 ZINC000245743282 1098708179 /nfs/dbraw/zinc/70/81/79/1098708179.db2.gz RYRZWWPQBCZTIA-KJJMTIBFSA-N 2 1 354.538 4.263 20 0 FIADMP O[C@@H]1CCCC[C@H]1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647895 1098804776 /nfs/dbraw/zinc/80/47/76/1098804776.db2.gz FDZJVKPRHORSAC-FDFHNCONSA-N 2 1 356.554 4.105 20 0 FIADMP O[C@@H]1CCCC[C@H]1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647895 1098804796 /nfs/dbraw/zinc/80/47/96/1098804796.db2.gz FDZJVKPRHORSAC-FDFHNCONSA-N 2 1 356.554 4.105 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)[C@H]1c1cccs1 ZINC000436236208 1098861391 /nfs/dbraw/zinc/86/13/91/1098861391.db2.gz DSVLYZMKTLAZRX-LIRRHRJNSA-N 2 1 372.563 4.372 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)[C@H]1c1cccs1 ZINC000436236208 1098861398 /nfs/dbraw/zinc/86/13/98/1098861398.db2.gz DSVLYZMKTLAZRX-LIRRHRJNSA-N 2 1 372.563 4.372 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436301834 1098915681 /nfs/dbraw/zinc/91/56/81/1098915681.db2.gz OTIHAPJGTIOWBH-KKSFZXQISA-N 2 1 351.469 4.307 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000533444654 1099068781 /nfs/dbraw/zinc/06/87/81/1099068781.db2.gz GSAKJBUNONXJOS-OAQYLSRUSA-N 2 1 367.537 4.118 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000533444654 1099068794 /nfs/dbraw/zinc/06/87/94/1099068794.db2.gz GSAKJBUNONXJOS-OAQYLSRUSA-N 2 1 367.537 4.118 20 0 FIADMP CC[N@@H+](Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505859256 1099201741 /nfs/dbraw/zinc/20/17/41/1099201741.db2.gz SKASMRJRONTCFL-UHFFFAOYSA-N 2 1 351.538 4.239 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000248744164 1099408563 /nfs/dbraw/zinc/40/85/63/1099408563.db2.gz ANYYVFYLBKDTOO-GEALJGNFSA-N 2 1 355.551 4.340 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000248744170 1099408607 /nfs/dbraw/zinc/40/86/07/1099408607.db2.gz ANYYVFYLBKDTOO-XLNTUCKNSA-N 2 1 355.551 4.340 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)o1 ZINC000161798336 1099540170 /nfs/dbraw/zinc/54/01/70/1099540170.db2.gz RQXGJTPWWUUQSR-HNNXBMFYSA-N 2 1 361.555 4.424 20 0 FIADMP [NH3+]C1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCCCCC1 ZINC000666810221 1099638279 /nfs/dbraw/zinc/63/82/79/1099638279.db2.gz HLMXFNSLUUGDDD-UHFFFAOYSA-N 2 1 367.541 4.202 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000162290418 1099679501 /nfs/dbraw/zinc/67/95/01/1099679501.db2.gz PJDGVBIKWCRJSI-YCRPNKLZSA-N 2 1 350.510 4.290 20 0 FIADMP CCOc1ccccc1CN(CCCn1ccnc1)Cc1occc1C ZINC000506016596 1099769830 /nfs/dbraw/zinc/76/98/30/1099769830.db2.gz JSBYFJROLVBKKR-UHFFFAOYSA-N 2 1 353.466 4.276 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702106 1099856242 /nfs/dbraw/zinc/85/62/42/1099856242.db2.gz YNXRTPFAKIXUMC-QWFCFKBJSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702685 1099858052 /nfs/dbraw/zinc/85/80/52/1099858052.db2.gz WHKNJEUQZNNMDK-WIYYLYMNSA-N 2 1 367.537 4.259 20 0 FIADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000508714824 1099884545 /nfs/dbraw/zinc/88/45/45/1099884545.db2.gz CAAKPCUOZVVPQH-PTUXOGIPSA-N 2 1 351.538 4.321 20 0 FIADMP C[C@@H](Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715202 1099884988 /nfs/dbraw/zinc/88/49/88/1099884988.db2.gz XGUFJMUWVPPYFR-DENIHFKCSA-N 2 1 351.538 4.113 20 0 FIADMP COc1ccc(CCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711294 1099900922 /nfs/dbraw/zinc/90/09/22/1099900922.db2.gz AIUARZHYIXHIRP-KNQAVFIVSA-N 2 1 352.522 4.128 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711297 1099901075 /nfs/dbraw/zinc/90/10/75/1099901075.db2.gz AIUARZHYIXHIRP-SIKLNZKXSA-N 2 1 352.522 4.128 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712593 1099902893 /nfs/dbraw/zinc/90/28/93/1099902893.db2.gz DDVFWYFSRCVUTK-QFBILLFUSA-N 2 1 358.913 4.349 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712593 1099902896 /nfs/dbraw/zinc/90/28/96/1099902896.db2.gz DDVFWYFSRCVUTK-QFBILLFUSA-N 2 1 358.913 4.349 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536672219 1100155705 /nfs/dbraw/zinc/15/57/05/1100155705.db2.gz OPWLQBANNBBACN-OAQYLSRUSA-N 2 1 368.569 4.209 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698533 1100201271 /nfs/dbraw/zinc/20/12/71/1100201271.db2.gz QBDRINRROQOJLJ-NRFANRHFSA-N 2 1 365.521 4.346 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698533 1100201273 /nfs/dbraw/zinc/20/12/73/1100201273.db2.gz QBDRINRROQOJLJ-NRFANRHFSA-N 2 1 365.521 4.346 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698533 1100201280 /nfs/dbraw/zinc/20/12/80/1100201280.db2.gz QBDRINRROQOJLJ-NRFANRHFSA-N 2 1 365.521 4.346 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1Oc1cccnc1 ZINC000536698533 1100201290 /nfs/dbraw/zinc/20/12/90/1100201290.db2.gz QBDRINRROQOJLJ-NRFANRHFSA-N 2 1 365.521 4.346 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628416 1100244899 /nfs/dbraw/zinc/24/48/99/1100244899.db2.gz IXHGKJJKKQZJSB-XQBPLPMBSA-N 2 1 352.522 4.356 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628416 1100244908 /nfs/dbraw/zinc/24/49/08/1100244908.db2.gz IXHGKJJKKQZJSB-XQBPLPMBSA-N 2 1 352.522 4.356 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000379649051 1100253867 /nfs/dbraw/zinc/25/38/67/1100253867.db2.gz NPXJYXGHOLRGNI-MONBJTKQSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CC[N@H+]1Cc1ccccc1 ZINC000379649051 1100253881 /nfs/dbraw/zinc/25/38/81/1100253881.db2.gz NPXJYXGHOLRGNI-MONBJTKQSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000379649047 1100255043 /nfs/dbraw/zinc/25/50/43/1100255043.db2.gz NPXJYXGHOLRGNI-DHJUGAMNSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CC[N@H+]1Cc1ccccc1 ZINC000379649047 1100255055 /nfs/dbraw/zinc/25/50/55/1100255055.db2.gz NPXJYXGHOLRGNI-DHJUGAMNSA-N 2 1 350.506 4.412 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000459519586 1100257880 /nfs/dbraw/zinc/25/78/80/1100257880.db2.gz GKLFTWSCVKGJGW-QGZVFWFLSA-N 2 1 353.432 4.228 20 0 FIADMP c1ccc(C[NH+]2CCC([C@@H]3CCCCC[N@H+]3Cc3ncccn3)CC2)cc1 ZINC000459531388 1100281928 /nfs/dbraw/zinc/28/19/28/1100281928.db2.gz VPYMLMLOPKZMBZ-QFIPXVFZSA-N 2 1 364.537 4.133 20 0 FIADMP FC(F)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000459550706 1100296467 /nfs/dbraw/zinc/29/64/67/1100296467.db2.gz QGLUELXVVRDYRG-UHFFFAOYSA-N 2 1 351.828 4.085 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834935 1100346374 /nfs/dbraw/zinc/34/63/74/1100346374.db2.gz YUAWAHMAUFSGAA-AZUAARDMSA-N 2 1 354.542 4.199 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@@H]4CC[N@@H+](C)C[C@@H]4C)cc3)ccc2O1 ZINC000536838069 1100349467 /nfs/dbraw/zinc/34/94/67/1100349467.db2.gz GNOJDLTZNSUSCX-GSHUGGBRSA-N 2 1 350.506 4.107 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2csc3ccccc23)[C@@H](C)C1 ZINC000536849938 1100363412 /nfs/dbraw/zinc/36/34/12/1100363412.db2.gz DRGOABVKVLOKPN-FXAWDEMLSA-N 2 1 360.567 4.170 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@H](C)C1 ZINC000536849943 1100364143 /nfs/dbraw/zinc/36/41/43/1100364143.db2.gz DRGOABVKVLOKPN-XLIONFOSSA-N 2 1 360.567 4.170 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000536860370 1100376113 /nfs/dbraw/zinc/37/61/13/1100376113.db2.gz YZWLFHBEWJDTLU-JTDSTZFVSA-N 2 1 370.484 4.218 20 0 FIADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000536860783 1100376704 /nfs/dbraw/zinc/37/67/04/1100376704.db2.gz AJSNGQPJLPGUJR-INIZCTEOSA-N 2 1 370.990 4.347 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459662712 1100410529 /nfs/dbraw/zinc/41/05/29/1100410529.db2.gz VESLKCMVUZIMMY-UHFFFAOYSA-N 2 1 374.282 4.175 20 0 FIADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414921850 1100417398 /nfs/dbraw/zinc/41/73/98/1100417398.db2.gz FAJSFYGOSPRUCQ-QLBRKBSLSA-N 2 1 361.533 4.146 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000506381719 1100947084 /nfs/dbraw/zinc/94/70/84/1100947084.db2.gz OOFCYETZEVEHID-OAHLLOKOSA-N 2 1 353.348 4.357 20 0 FIADMP Cc1ccc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000438846341 1100974986 /nfs/dbraw/zinc/97/49/86/1100974986.db2.gz ASAKFBQHTXUVCA-CTNGQTDRSA-N 2 1 351.538 4.379 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C)cc3)c2)CCO1 ZINC000518277484 1101061126 /nfs/dbraw/zinc/06/11/26/1101061126.db2.gz QODKZPJCNDDDMM-LJQANCHMSA-N 2 1 366.549 4.495 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C)cc3)c2)CCO1 ZINC000518277484 1101061137 /nfs/dbraw/zinc/06/11/37/1101061137.db2.gz QODKZPJCNDDDMM-LJQANCHMSA-N 2 1 366.549 4.495 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475310 1101123851 /nfs/dbraw/zinc/12/38/51/1101123851.db2.gz VGQGPQQUTLKLIB-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475310 1101123855 /nfs/dbraw/zinc/12/38/55/1101123855.db2.gz VGQGPQQUTLKLIB-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475310 1101123862 /nfs/dbraw/zinc/12/38/62/1101123862.db2.gz VGQGPQQUTLKLIB-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475310 1101123867 /nfs/dbraw/zinc/12/38/67/1101123867.db2.gz VGQGPQQUTLKLIB-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475313 1101123997 /nfs/dbraw/zinc/12/39/97/1101123997.db2.gz VGQGPQQUTLKLIB-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475313 1101123998 /nfs/dbraw/zinc/12/39/98/1101123998.db2.gz VGQGPQQUTLKLIB-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475313 1101124001 /nfs/dbraw/zinc/12/40/01/1101124001.db2.gz VGQGPQQUTLKLIB-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475313 1101124003 /nfs/dbraw/zinc/12/40/03/1101124003.db2.gz VGQGPQQUTLKLIB-WMZOPIPTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000536891122 1101312022 /nfs/dbraw/zinc/31/20/22/1101312022.db2.gz AMWAWPXZJRTXHI-IEGUWTFLSA-N 2 1 350.506 4.194 20 0 FIADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964321 1101348399 /nfs/dbraw/zinc/34/83/99/1101348399.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964321 1101348408 /nfs/dbraw/zinc/34/84/08/1101348408.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964321 1101348422 /nfs/dbraw/zinc/34/84/22/1101348422.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964321 1101348437 /nfs/dbraw/zinc/34/84/37/1101348437.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964321 1101348453 /nfs/dbraw/zinc/34/84/53/1101348453.db2.gz OXLPUZDLYCQICJ-ARVAWAHQSA-N 2 1 367.581 4.035 20 0 FIADMP c1csc([C@@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655731696 1101357405 /nfs/dbraw/zinc/35/74/05/1101357405.db2.gz ZZVZMFZYDLDNKQ-NHCUHLMSSA-N 2 1 370.562 4.265 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000536999688 1101386459 /nfs/dbraw/zinc/38/64/59/1101386459.db2.gz XZEFXYDECANITE-CVDCTZTESA-N 2 1 352.522 4.394 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000536999688 1101386470 /nfs/dbraw/zinc/38/64/70/1101386470.db2.gz XZEFXYDECANITE-CVDCTZTESA-N 2 1 352.522 4.394 20 0 FIADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000666090391 1101496860 /nfs/dbraw/zinc/49/68/60/1101496860.db2.gz ZLSAWBQARPMSES-UIFIKXQLSA-N 2 1 362.945 4.209 20 0 FIADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)o1 ZINC000537173843 1101518192 /nfs/dbraw/zinc/51/81/92/1101518192.db2.gz LJODFTBNIVITGY-AHRSYUTCSA-N 2 1 366.505 4.481 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(Br)s2)C1 ZINC000518763544 1101518376 /nfs/dbraw/zinc/51/83/76/1101518376.db2.gz UZPMMSNDPXTWSO-OKILXGFUSA-N 2 1 359.377 4.358 20 0 FIADMP Cc1ccc(-c2ccc(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)s2)cc1 ZINC000518774354 1101536943 /nfs/dbraw/zinc/53/69/43/1101536943.db2.gz BEBCZQPKOHYSHT-UHFFFAOYSA-N 2 1 371.594 4.087 20 0 FIADMP COc1ccc(CC[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426418772 1101538226 /nfs/dbraw/zinc/53/82/26/1101538226.db2.gz YDDFLRUJNQKNFL-CEXWTWQISA-N 2 1 362.558 4.070 20 0 FIADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000537303641 1101627916 /nfs/dbraw/zinc/62/79/16/1101627916.db2.gz HEBAGZGGBGXKII-FGTMMUONSA-N 2 1 374.525 4.372 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[N@H+]1C ZINC000537310124 1101640575 /nfs/dbraw/zinc/64/05/75/1101640575.db2.gz CYCANGWTQJOFAC-SJLPKXTDSA-N 2 1 366.534 4.173 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)C2CCN(CC)CC2)cc1OCC ZINC000506646385 1101667652 /nfs/dbraw/zinc/66/76/52/1101667652.db2.gz OVNOPHOQYWYRSA-UHFFFAOYSA-N 2 1 368.949 4.444 20 0 FIADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000470120818 1101934811 /nfs/dbraw/zinc/93/48/11/1101934811.db2.gz HWTZWNKXVFZCAN-FQEVSTJZSA-N 2 1 373.928 4.423 20 0 FIADMP CN(CCC[NH2+]Cc1csc(Br)c1)Cc1ccccc1 ZINC000035251434 1101952831 /nfs/dbraw/zinc/95/28/31/1101952831.db2.gz OETUYNAJMCIVLA-UHFFFAOYSA-N 2 1 353.329 4.122 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131440 1101970309 /nfs/dbraw/zinc/97/03/09/1101970309.db2.gz JSDIMCHOSGUVEE-LQWHRVPQSA-N 2 1 366.505 4.019 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131440 1101970310 /nfs/dbraw/zinc/97/03/10/1101970310.db2.gz JSDIMCHOSGUVEE-LQWHRVPQSA-N 2 1 366.505 4.019 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156404 1101971631 /nfs/dbraw/zinc/97/16/31/1101971631.db2.gz QVQYJHUFQDDMFO-NZQKXSOJSA-N 2 1 352.522 4.094 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156404 1101971636 /nfs/dbraw/zinc/97/16/36/1101971636.db2.gz QVQYJHUFQDDMFO-NZQKXSOJSA-N 2 1 352.522 4.094 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000519222204 1102020160 /nfs/dbraw/zinc/02/01/60/1102020160.db2.gz SFFBTFOBBXAMNJ-UXHICEINSA-N 2 1 373.585 4.005 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC000894475595 1102407453 /nfs/dbraw/zinc/40/74/53/1102407453.db2.gz GAYCPJFFEKQUSN-UHFFFAOYSA-N 2 1 364.515 4.122 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC000894475595 1102407458 /nfs/dbraw/zinc/40/74/58/1102407458.db2.gz GAYCPJFFEKQUSN-UHFFFAOYSA-N 2 1 364.515 4.122 20 0 FIADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2c1 ZINC001167969875 1102415066 /nfs/dbraw/zinc/41/50/66/1102415066.db2.gz HGJADYKWFGHOMT-ZEDDUWKQSA-N 2 1 351.538 4.417 20 0 FIADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1C ZINC000061735414 1102418378 /nfs/dbraw/zinc/41/83/78/1102418378.db2.gz FELHZLOZGNCUAF-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000532524395 1102443270 /nfs/dbraw/zinc/44/32/70/1102443270.db2.gz FSFSHFVWLILMJS-IIDMSEBBSA-N 2 1 354.460 4.445 20 0 FIADMP COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000532525384 1102443494 /nfs/dbraw/zinc/44/34/94/1102443494.db2.gz VERIKLWOAFHMTE-IRXDYDNUSA-N 2 1 365.477 4.307 20 0 FIADMP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122431117 1102576055 /nfs/dbraw/zinc/57/60/55/1102576055.db2.gz QLKPDZVCBKRDDO-CVEARBPZSA-N 2 1 360.473 4.187 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167975395 1102631864 /nfs/dbraw/zinc/63/18/64/1102631864.db2.gz OLPUEVPUUVAUSO-GGRGVLTASA-N 3 1 359.602 4.296 20 0 FIADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975395 1102631889 /nfs/dbraw/zinc/63/18/89/1102631889.db2.gz OLPUEVPUUVAUSO-GGRGVLTASA-N 3 1 359.602 4.296 20 0 FIADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975395 1102631894 /nfs/dbraw/zinc/63/18/94/1102631894.db2.gz OLPUEVPUUVAUSO-GGRGVLTASA-N 3 1 359.602 4.296 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167975395 1102631900 /nfs/dbraw/zinc/63/19/00/1102631900.db2.gz OLPUEVPUUVAUSO-GGRGVLTASA-N 2 1 359.602 4.296 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167975395 1102631906 /nfs/dbraw/zinc/63/19/06/1102631906.db2.gz OLPUEVPUUVAUSO-GGRGVLTASA-N 2 1 359.602 4.296 20 0 FIADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886440 1102658327 /nfs/dbraw/zinc/65/83/27/1102658327.db2.gz PDTVVMMAYCVIDK-VABKMULXSA-N 2 1 370.581 4.330 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000550886244 1102658685 /nfs/dbraw/zinc/65/86/85/1102658685.db2.gz NOKFQIKJNQAKAT-OALUTQOASA-N 2 1 362.521 4.417 20 0 FIADMP COc1cnccc1[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550911169 1102685423 /nfs/dbraw/zinc/68/54/23/1102685423.db2.gz METZQHLXWRMFTM-QHGAOEGBSA-N 2 1 353.510 4.184 20 0 FIADMP Clc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167977470 1102721991 /nfs/dbraw/zinc/72/19/91/1102721991.db2.gz CPXACPBNECWNAL-SEJPIABJSA-N 2 1 374.956 4.341 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000550977394 1102739982 /nfs/dbraw/zinc/73/99/82/1102739982.db2.gz SZRQCIVKSMDKPC-PWRODBHTSA-N 2 1 369.578 4.310 20 0 FIADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2cccc(Cl)c12 ZINC001167982011 1102775962 /nfs/dbraw/zinc/77/59/62/1102775962.db2.gz SUCQWOWNNJQXPI-JWTNVVGKSA-N 2 1 357.929 4.374 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000129312623 1102785601 /nfs/dbraw/zinc/78/56/01/1102785601.db2.gz DQWZIIRKGGCCFI-FQEVSTJZSA-N 2 1 354.885 4.399 20 0 FIADMP CC[N@H+](Cc1ccc(COC)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661082 1102785803 /nfs/dbraw/zinc/78/58/03/1102785803.db2.gz LRDQKXNHDQCGRP-HSZRJFAPSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1ccc(COC)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661082 1102785811 /nfs/dbraw/zinc/78/58/11/1102785811.db2.gz LRDQKXNHDQCGRP-HSZRJFAPSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1ccc(COC)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661082 1102785820 /nfs/dbraw/zinc/78/58/20/1102785820.db2.gz LRDQKXNHDQCGRP-HSZRJFAPSA-N 2 1 352.522 4.177 20 0 FIADMP CC[N@H+](Cc1ccc(COC)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661083 1102786583 /nfs/dbraw/zinc/78/65/83/1102786583.db2.gz LRDQKXNHDQCGRP-QHCPKHFHSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1ccc(COC)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661083 1102786596 /nfs/dbraw/zinc/78/65/96/1102786596.db2.gz LRDQKXNHDQCGRP-QHCPKHFHSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1ccc(COC)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661083 1102786605 /nfs/dbraw/zinc/78/66/05/1102786605.db2.gz LRDQKXNHDQCGRP-QHCPKHFHSA-N 2 1 352.522 4.177 20 0 FIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[NH+](C)C)cc1 ZINC000551014268 1102790925 /nfs/dbraw/zinc/79/09/25/1102790925.db2.gz QVTVMSDUIKGDRF-VJBWXMMDSA-N 2 1 351.538 4.023 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000459335993 1102846328 /nfs/dbraw/zinc/84/63/28/1102846328.db2.gz BLEBMSVZCWXJOF-IBGZPJMESA-N 2 1 364.537 4.394 20 0 FIADMP Cc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550262494 1102883412 /nfs/dbraw/zinc/88/34/12/1102883412.db2.gz IKFLOBIRMOFCSG-QHCPKHFHSA-N 2 1 364.533 4.013 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551083868 1102902216 /nfs/dbraw/zinc/90/22/16/1102902216.db2.gz OCOIKVICTUQZSB-HQAQVQPGSA-N 2 1 368.521 4.196 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551083868 1102902223 /nfs/dbraw/zinc/90/22/23/1102902223.db2.gz OCOIKVICTUQZSB-HQAQVQPGSA-N 2 1 368.521 4.196 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC000551086692 1102905885 /nfs/dbraw/zinc/90/58/85/1102905885.db2.gz ARNFEWTYCMDCBO-JSRAGOMMSA-N 2 1 372.553 4.312 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccccc1 ZINC000551086692 1102905889 /nfs/dbraw/zinc/90/58/89/1102905889.db2.gz ARNFEWTYCMDCBO-JSRAGOMMSA-N 2 1 372.553 4.312 20 0 FIADMP CCOc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)C)cc1OCC ZINC000459367864 1102941338 /nfs/dbraw/zinc/94/13/38/1102941338.db2.gz CZBLWSIEPVGQLC-JOCHJYFZSA-N 2 1 360.542 4.398 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000551175547 1102948513 /nfs/dbraw/zinc/94/85/13/1102948513.db2.gz MMVBRADKWKBQMX-WBADGQHESA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000551175547 1102948522 /nfs/dbraw/zinc/94/85/22/1102948522.db2.gz MMVBRADKWKBQMX-WBADGQHESA-N 2 1 350.506 4.332 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175387 1102948715 /nfs/dbraw/zinc/94/87/15/1102948715.db2.gz IGXVCXLKQKSYQB-DZFGPLHGSA-N 2 1 354.469 4.247 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175387 1102948719 /nfs/dbraw/zinc/94/87/19/1102948719.db2.gz IGXVCXLKQKSYQB-DZFGPLHGSA-N 2 1 354.469 4.247 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000551175546 1102948818 /nfs/dbraw/zinc/94/88/18/1102948818.db2.gz MMVBRADKWKBQMX-GSPCLOLRSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000551175546 1102948819 /nfs/dbraw/zinc/94/88/19/1102948819.db2.gz MMVBRADKWKBQMX-GSPCLOLRSA-N 2 1 350.506 4.332 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551196414 1102974871 /nfs/dbraw/zinc/97/48/71/1102974871.db2.gz AIJRLKRRIFOTDT-PTUXOGIPSA-N 2 1 352.522 4.407 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551196414 1102974873 /nfs/dbraw/zinc/97/48/73/1102974873.db2.gz AIJRLKRRIFOTDT-PTUXOGIPSA-N 2 1 352.522 4.407 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197586 1102975786 /nfs/dbraw/zinc/97/57/86/1102975786.db2.gz GHHDWMFXPPYETF-JTHBVZDNSA-N 2 1 368.521 4.027 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197586 1102975795 /nfs/dbraw/zinc/97/57/95/1102975795.db2.gz GHHDWMFXPPYETF-JTHBVZDNSA-N 2 1 368.521 4.027 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697493 1102979687 /nfs/dbraw/zinc/97/96/87/1102979687.db2.gz RTGKFDRUFLABQU-QAPCUYQASA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697493 1102979692 /nfs/dbraw/zinc/97/96/92/1102979692.db2.gz RTGKFDRUFLABQU-QAPCUYQASA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000537697493 1102979696 /nfs/dbraw/zinc/97/96/96/1102979696.db2.gz RTGKFDRUFLABQU-QAPCUYQASA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000537697493 1102979699 /nfs/dbraw/zinc/97/96/99/1102979699.db2.gz RTGKFDRUFLABQU-QAPCUYQASA-N 2 1 354.416 4.034 20 0 FIADMP Cn1ccc([C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccc(Cl)cc2)n1 ZINC000551263770 1103022707 /nfs/dbraw/zinc/02/27/07/1103022707.db2.gz FBHVIQYEGXBQJP-HXUWFJFHSA-N 2 1 360.933 4.019 20 0 FIADMP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265358 1103027387 /nfs/dbraw/zinc/02/73/87/1103027387.db2.gz UBCBRZOUMSWCAD-REWPJTCUSA-N 2 1 370.581 4.474 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)c1 ZINC000729682362 1103036605 /nfs/dbraw/zinc/03/66/05/1103036605.db2.gz SXEPUIGRXQPVKX-UHFFFAOYSA-N 2 1 368.550 4.358 20 0 FIADMP CN(c1ccccc1C[N@H+]1CC[C@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000507082067 1103103409 /nfs/dbraw/zinc/10/34/09/1103103409.db2.gz ALCNFDHYTGXSQF-NRFANRHFSA-N 2 1 363.549 4.207 20 0 FIADMP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984747 1103219475 /nfs/dbraw/zinc/21/94/75/1103219475.db2.gz QOWUXKBSHRARAS-HNYYDBCASA-N 2 1 356.554 4.354 20 0 FIADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984747 1103219484 /nfs/dbraw/zinc/21/94/84/1103219484.db2.gz QOWUXKBSHRARAS-HNYYDBCASA-N 2 1 356.554 4.354 20 0 FIADMP CC[NH+]([C@@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984747 1103219487 /nfs/dbraw/zinc/21/94/87/1103219487.db2.gz QOWUXKBSHRARAS-HNYYDBCASA-N 2 1 356.554 4.354 20 0 FIADMP Cc1ccccc1[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000551428899 1103220840 /nfs/dbraw/zinc/22/08/40/1103220840.db2.gz WAZHZEPTFXLKSR-HXUWFJFHSA-N 2 1 373.585 4.003 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000507215549 1103221085 /nfs/dbraw/zinc/22/10/85/1103221085.db2.gz SODDQEVIRRNBGB-UHFFFAOYSA-N 2 1 355.526 4.209 20 0 FIADMP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000551798475 1103675823 /nfs/dbraw/zinc/67/58/23/1103675823.db2.gz YQSKJDGGFQLJPH-MDASCCDHSA-N 2 1 352.444 4.415 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000519672248 1103783916 /nfs/dbraw/zinc/78/39/16/1103783916.db2.gz JTAJXNHKKVUZPB-DTQAZKPQSA-N 2 1 352.469 4.496 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766820 1103925630 /nfs/dbraw/zinc/92/56/30/1103925630.db2.gz JFLDTOHAKYPXJK-NEWSRXKRSA-N 2 1 370.459 4.247 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766820 1103925632 /nfs/dbraw/zinc/92/56/32/1103925632.db2.gz JFLDTOHAKYPXJK-NEWSRXKRSA-N 2 1 370.459 4.247 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1)CC1CC1 ZINC000537848651 1103969903 /nfs/dbraw/zinc/96/99/03/1103969903.db2.gz MSPMITKZQGYFFG-UHFFFAOYSA-N 2 1 371.569 4.076 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cc3)CC2)cs1 ZINC000112546810 1104370380 /nfs/dbraw/zinc/37/03/80/1104370380.db2.gz WRXMHMQFBSKXLN-OAHLLOKOSA-N 2 1 361.530 4.407 20 0 FIADMP CC[C@H]1C[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000507792729 1105081475 /nfs/dbraw/zinc/08/14/75/1105081475.db2.gz GAXXTPCLVXJCIS-VXKWHMMOSA-N 2 1 356.554 4.180 20 0 FIADMP C[C@@H](C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000189825138 1105095540 /nfs/dbraw/zinc/09/55/40/1105095540.db2.gz UKEIKBGCYWYYSP-SFHVURJKSA-N 2 1 371.956 4.477 20 0 FIADMP CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000474010373 1105149934 /nfs/dbraw/zinc/14/99/34/1105149934.db2.gz BXCBFMXNFGWQHZ-FQEVSTJZSA-N 2 1 372.940 4.149 20 0 FIADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000427831455 1105290386 /nfs/dbraw/zinc/29/03/86/1105290386.db2.gz KBCPEIYOZMBHHK-SCTDSRPQSA-N 2 1 352.526 4.114 20 0 FIADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000427831455 1105290390 /nfs/dbraw/zinc/29/03/90/1105290390.db2.gz KBCPEIYOZMBHHK-SCTDSRPQSA-N 2 1 352.526 4.114 20 0 FIADMP c1ccc(C[NH+](CCC[NH2+][C@@H]2CCCOCC2)Cc2ccccc2)cc1 ZINC000390596052 1106738777 /nfs/dbraw/zinc/73/87/77/1106738777.db2.gz VZIWNSXVOPLJJB-HSZRJFAPSA-N 2 1 352.522 4.238 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000390595054 1106739408 /nfs/dbraw/zinc/73/94/08/1106739408.db2.gz UZEYSXLLEBVRES-NFBKMPQASA-N 2 1 352.522 4.236 20 0 FIADMP O=C(CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000450872361 1106774005 /nfs/dbraw/zinc/77/40/05/1106774005.db2.gz BXOFOBNRNKWYNP-UHFFFAOYSA-N 2 1 351.494 4.062 20 0 FIADMP O=C(CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000450881521 1106789860 /nfs/dbraw/zinc/78/98/60/1106789860.db2.gz RTGZBCYXHQCPSM-UHFFFAOYSA-N 2 1 369.484 4.201 20 0 FIADMP Cc1cccc(N2CCC(Nc3cc(C)[nH+]c4ccc(F)cc34)CC2)[nH+]1 ZINC000301665490 1107104322 /nfs/dbraw/zinc/10/43/22/1107104322.db2.gz LIRDYEUKDSHKKK-UHFFFAOYSA-N 2 1 350.441 4.467 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530544689 1107127635 /nfs/dbraw/zinc/12/76/35/1107127635.db2.gz UQUPTBAOKNHDNC-SYYKKAFVSA-N 2 1 350.506 4.319 20 0 FIADMP CCCc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)c2ccccc2[nH+]1 ZINC000301796353 1107153413 /nfs/dbraw/zinc/15/34/13/1107153413.db2.gz QCDJQBZRSAXJQJ-UHFFFAOYSA-N 2 1 364.493 4.114 20 0 FIADMP COc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711766 1107259063 /nfs/dbraw/zinc/25/90/63/1107259063.db2.gz XZZDBEJLTJKUGS-CTNGQTDRSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711766 1107259075 /nfs/dbraw/zinc/25/90/75/1107259075.db2.gz XZZDBEJLTJKUGS-CTNGQTDRSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711766 1107259097 /nfs/dbraw/zinc/25/90/97/1107259097.db2.gz XZZDBEJLTJKUGS-CTNGQTDRSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711766 1107259113 /nfs/dbraw/zinc/25/91/13/1107259113.db2.gz XZZDBEJLTJKUGS-CTNGQTDRSA-N 2 1 368.521 4.059 20 0 FIADMP CC(C[NH+]1CCC[C@@]2(CCSC2)C1)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980252 1107411433 /nfs/dbraw/zinc/41/14/33/1107411433.db2.gz QXCVPTKGQGGVFZ-WOJBJXKFSA-N 2 1 368.656 4.061 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)s2)cc1 ZINC000152454958 1107719464 /nfs/dbraw/zinc/71/94/64/1107719464.db2.gz RVWISXDVBIFTQH-ZBFHGGJFSA-N 2 1 371.550 4.262 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC000444658090 1108053478 /nfs/dbraw/zinc/05/34/78/1108053478.db2.gz AFYCSLINWWBDRQ-QHAWAJNXSA-N 2 1 356.535 4.099 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000531676620 1108064618 /nfs/dbraw/zinc/06/46/18/1108064618.db2.gz YVWQTMPPUVIJQC-MSYCTHLASA-N 2 1 374.532 4.358 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000531712331 1108090407 /nfs/dbraw/zinc/09/04/07/1108090407.db2.gz YUANQRLAXPEFKL-JTSKRJEESA-N 2 1 374.488 4.027 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453056492 1108133844 /nfs/dbraw/zinc/13/38/44/1108133844.db2.gz CGELWLXFEDDBJR-HXUWFJFHSA-N 2 1 351.538 4.355 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453059406 1108135381 /nfs/dbraw/zinc/13/53/81/1108135381.db2.gz QCMUVNPLVLYKSS-IBGZPJMESA-N 2 1 374.532 4.402 20 0 FIADMP c1csc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453144442 1108195341 /nfs/dbraw/zinc/19/53/41/1108195341.db2.gz MNIXZEQBXUHGPH-HSALFYBXSA-N 2 1 355.551 4.109 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000453138505 1108214014 /nfs/dbraw/zinc/21/40/14/1108214014.db2.gz AFVIVGRUHJIDJM-KCSJKLDESA-N 2 1 356.554 4.223 20 0 FIADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC000523554327 1108318089 /nfs/dbraw/zinc/31/80/89/1108318089.db2.gz MEXAEEWZPNXYKI-QFIPXVFZSA-N 2 1 350.506 4.183 20 0 FIADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC000523554327 1108318105 /nfs/dbraw/zinc/31/81/05/1108318105.db2.gz MEXAEEWZPNXYKI-QFIPXVFZSA-N 2 1 350.506 4.183 20 0 FIADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453311750 1108399131 /nfs/dbraw/zinc/39/91/31/1108399131.db2.gz BIZASZCWHMPEGP-ZQGJOIPISA-N 2 1 356.554 4.223 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932418 1108402068 /nfs/dbraw/zinc/40/20/68/1108402068.db2.gz GSLYYZYKURPXML-DOTOQJQBSA-N 2 1 363.596 4.011 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000531951023 1108437337 /nfs/dbraw/zinc/43/73/37/1108437337.db2.gz ZIBAPACZYPKWET-RTBURBONSA-N 2 1 368.521 4.075 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000531951023 1108437355 /nfs/dbraw/zinc/43/73/55/1108437355.db2.gz ZIBAPACZYPKWET-RTBURBONSA-N 2 1 368.521 4.075 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000531979220 1108495173 /nfs/dbraw/zinc/49/51/73/1108495173.db2.gz ZBQHZYLMKRBCMN-CXHZTBPHSA-N 2 1 358.448 4.181 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000532201203 1108707603 /nfs/dbraw/zinc/70/76/03/1108707603.db2.gz WUHKMMKNPBRLIZ-MRXNPFEDSA-N 2 1 369.372 4.450 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000524758614 1109144688 /nfs/dbraw/zinc/14/46/88/1109144688.db2.gz OEOPINRLXWYZNZ-UHFFFAOYSA-N 2 1 358.448 4.180 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753205 1109329861 /nfs/dbraw/zinc/32/98/61/1109329861.db2.gz RBZREECCTYPQAZ-WBMJQRKESA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753205 1109329864 /nfs/dbraw/zinc/32/98/64/1109329864.db2.gz RBZREECCTYPQAZ-WBMJQRKESA-N 2 1 359.739 4.485 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000446921215 1109390328 /nfs/dbraw/zinc/39/03/28/1109390328.db2.gz QPAAIFGNRCIOLU-UNWVZKJWSA-N 2 1 374.532 4.389 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000446921215 1109390333 /nfs/dbraw/zinc/39/03/33/1109390333.db2.gz QPAAIFGNRCIOLU-UNWVZKJWSA-N 2 1 374.532 4.389 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000429696027 1109447314 /nfs/dbraw/zinc/44/73/14/1109447314.db2.gz FRDNTHFBGUYQSZ-UHFFFAOYSA-N 2 1 355.526 4.316 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000429696027 1109447315 /nfs/dbraw/zinc/44/73/15/1109447315.db2.gz FRDNTHFBGUYQSZ-UHFFFAOYSA-N 2 1 355.526 4.316 20 0 FIADMP FC(F)(F)CSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447586845 1109587314 /nfs/dbraw/zinc/58/73/14/1109587314.db2.gz PCRDSMLABVWCND-OSYLJGHBSA-N 2 1 358.473 4.067 20 0 FIADMP COCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000447593564 1109590160 /nfs/dbraw/zinc/59/01/60/1109590160.db2.gz SYTGBRZSBYQTOV-PLACYPQZSA-N 2 1 354.494 4.142 20 0 FIADMP COCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000447593564 1109590161 /nfs/dbraw/zinc/59/01/61/1109590161.db2.gz SYTGBRZSBYQTOV-PLACYPQZSA-N 2 1 354.494 4.142 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000447734053 1109635333 /nfs/dbraw/zinc/63/53/33/1109635333.db2.gz SIDJCKIRHGUYAZ-YWZLYKJASA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000447734053 1109635336 /nfs/dbraw/zinc/63/53/36/1109635336.db2.gz SIDJCKIRHGUYAZ-YWZLYKJASA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000447734053 1109635340 /nfs/dbraw/zinc/63/53/40/1109635340.db2.gz SIDJCKIRHGUYAZ-YWZLYKJASA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000447734053 1109635342 /nfs/dbraw/zinc/63/53/42/1109635342.db2.gz SIDJCKIRHGUYAZ-YWZLYKJASA-N 2 1 350.909 4.360 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CCO1 ZINC001168092320 1109646087 /nfs/dbraw/zinc/64/60/87/1109646087.db2.gz GZGKFFZYAZKXGG-CDIGIKMISA-N 2 1 364.533 4.202 20 0 FIADMP C[C@@H](N[C@H]1CCOc2c(F)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197745 1109717483 /nfs/dbraw/zinc/71/74/83/1109717483.db2.gz ZSDIKLDKLJXOMM-MMOPVJDHSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527197745 1109717489 /nfs/dbraw/zinc/71/74/89/1109717489.db2.gz ZSDIKLDKLJXOMM-MMOPVJDHSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197745 1109717491 /nfs/dbraw/zinc/71/74/91/1109717491.db2.gz ZSDIKLDKLJXOMM-MMOPVJDHSA-N 2 1 354.469 4.150 20 0 FIADMP CN(C)Cc1cc(CNCc2ccsc2Br)ccc1F ZINC000527663380 1109797976 /nfs/dbraw/zinc/79/79/76/1109797976.db2.gz ZUZBKFKYXYKNHC-UHFFFAOYSA-N 2 1 357.292 4.001 20 0 FIADMP Fc1cc2c(cc1Cl)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000527851370 1109848068 /nfs/dbraw/zinc/84/80/68/1109848068.db2.gz ZNTURNFPTQPGLK-NRFANRHFSA-N 2 1 374.887 4.088 20 0 FIADMP COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OC)c1 ZINC000527921854 1109862852 /nfs/dbraw/zinc/86/28/52/1109862852.db2.gz VOWLJFCYQBKRIG-KSFYIVLOSA-N 2 1 365.477 4.228 20 0 FIADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449097534 1109975427 /nfs/dbraw/zinc/97/54/27/1109975427.db2.gz LXNLLCMOGWLOJY-KRWDZBQOSA-N 2 1 367.306 4.182 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)N1CCCC[C@H]1C ZINC000449118872 1109980288 /nfs/dbraw/zinc/98/02/88/1109980288.db2.gz ZRLJBMSWLGWVRC-MSOLQXFVSA-N 2 1 365.606 4.045 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3c(OC)c2)[C@@H](C)C1 ZINC000449137134 1109980308 /nfs/dbraw/zinc/98/03/08/1109980308.db2.gz DQZYBVBTHXBGSA-PGRDOPGGSA-N 2 1 370.537 4.075 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000449191243 1109991452 /nfs/dbraw/zinc/99/14/52/1109991452.db2.gz WVBYYFANEXBFIB-UHFFFAOYSA-N 2 1 359.514 4.446 20 0 FIADMP C[C@H](C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265214 1110019074 /nfs/dbraw/zinc/01/90/74/1110019074.db2.gz RBHLVBWUPQITKK-KUDFPVQQSA-N 2 1 359.464 4.088 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329522 1110027394 /nfs/dbraw/zinc/02/73/94/1110027394.db2.gz IIGSFDRMCZJDIG-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329522 1110027404 /nfs/dbraw/zinc/02/74/04/1110027404.db2.gz IIGSFDRMCZJDIG-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329522 1110027409 /nfs/dbraw/zinc/02/74/09/1110027409.db2.gz IIGSFDRMCZJDIG-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329522 1110027412 /nfs/dbraw/zinc/02/74/12/1110027412.db2.gz IIGSFDRMCZJDIG-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329522 1110027417 /nfs/dbraw/zinc/02/74/17/1110027417.db2.gz IIGSFDRMCZJDIG-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP c1c2cccnc2oc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000449340207 1110033185 /nfs/dbraw/zinc/03/31/85/1110033185.db2.gz NBZVTYQRBBDTBF-UHFFFAOYSA-N 2 1 361.489 4.316 20 0 FIADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449377722 1110051337 /nfs/dbraw/zinc/05/13/37/1110051337.db2.gz BNGUGOBWBCGSJO-CZUORRHYSA-N 2 1 355.404 4.189 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(C(F)(F)F)c3)CC2)C1 ZINC000449438105 1110079469 /nfs/dbraw/zinc/07/94/69/1110079469.db2.gz OTENBFCVQUJLRL-RHSMWYFYSA-N 2 1 355.448 4.233 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000449542307 1110100671 /nfs/dbraw/zinc/10/06/71/1110100671.db2.gz QEPOCGOZVGMBBX-YADHBBJMSA-N 2 1 367.537 4.050 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000449616182 1110132696 /nfs/dbraw/zinc/13/26/96/1110132696.db2.gz BUUNKEGHYXHFNM-AFARHQOCSA-N 2 1 364.533 4.238 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449734542 1110158651 /nfs/dbraw/zinc/15/86/51/1110158651.db2.gz RUQLOLYVOFZSSY-PXNSSMCTSA-N 2 1 350.934 4.067 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@](C)(Cc3ccccc3)C3CC3)sc2C1 ZINC000449776892 1110167466 /nfs/dbraw/zinc/16/74/66/1110167466.db2.gz PCAYXEMTUBGFFY-QFIPXVFZSA-N 2 1 369.578 4.411 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@](C)(Cc3ccccc3)C3CC3)sc2C1 ZINC000449776892 1110167468 /nfs/dbraw/zinc/16/74/68/1110167468.db2.gz PCAYXEMTUBGFFY-QFIPXVFZSA-N 2 1 369.578 4.411 20 0 FIADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000538394973 1111122387 /nfs/dbraw/zinc/12/23/87/1111122387.db2.gz VQGQPFGEPOTTEF-HNNXBMFYSA-N 2 1 363.933 4.010 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000538410876 1111130361 /nfs/dbraw/zinc/13/03/61/1111130361.db2.gz LHXIRIGBCSCLII-FPOVZHCZSA-N 2 1 374.532 4.420 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000538739994 1111273021 /nfs/dbraw/zinc/27/30/21/1111273021.db2.gz ZTFIWPYXDIYNJI-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750209 1111280919 /nfs/dbraw/zinc/28/09/19/1111280919.db2.gz KWRDDEQIOHEOJR-KRWDZBQOSA-N 2 1 352.469 4.069 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750209 1111280922 /nfs/dbraw/zinc/28/09/22/1111280922.db2.gz KWRDDEQIOHEOJR-KRWDZBQOSA-N 2 1 352.469 4.069 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750209 1111280924 /nfs/dbraw/zinc/28/09/24/1111280924.db2.gz KWRDDEQIOHEOJR-KRWDZBQOSA-N 2 1 352.469 4.069 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750209 1111280928 /nfs/dbraw/zinc/28/09/28/1111280928.db2.gz KWRDDEQIOHEOJR-KRWDZBQOSA-N 2 1 352.469 4.069 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)ccc12 ZINC000538761833 1111290923 /nfs/dbraw/zinc/29/09/23/1111290923.db2.gz FJSQJVLUHBBHSR-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538764144 1111291252 /nfs/dbraw/zinc/29/12/52/1111291252.db2.gz PIDXZDIEHNFCBU-OAQYLSRUSA-N 2 1 374.532 4.421 20 0 FIADMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538764144 1111291255 /nfs/dbraw/zinc/29/12/55/1111291255.db2.gz PIDXZDIEHNFCBU-OAQYLSRUSA-N 2 1 374.532 4.421 20 0 FIADMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538764144 1111291258 /nfs/dbraw/zinc/29/12/58/1111291258.db2.gz PIDXZDIEHNFCBU-OAQYLSRUSA-N 2 1 374.532 4.421 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796537 1111294072 /nfs/dbraw/zinc/29/40/72/1111294072.db2.gz KMWCLUPCKLAABL-UEVCKROQSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796537 1111294076 /nfs/dbraw/zinc/29/40/76/1111294076.db2.gz KMWCLUPCKLAABL-UEVCKROQSA-N 2 1 366.505 4.162 20 0 FIADMP FC(F)Oc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799340 1111295355 /nfs/dbraw/zinc/29/53/55/1111295355.db2.gz ZXSBBEVLDQWTFO-RHSMWYFYSA-N 2 1 370.871 4.390 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000539041605 1111395283 /nfs/dbraw/zinc/39/52/83/1111395283.db2.gz LQUNITVZDOPVOM-PZJWPPBQSA-N 3 1 357.586 4.140 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)oc2cc1C ZINC000539059909 1111405377 /nfs/dbraw/zinc/40/53/77/1111405377.db2.gz PDVUQJFVHQWUTO-DBVUQKKJSA-N 2 1 356.510 4.078 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)oc2cc1C ZINC000539059909 1111405383 /nfs/dbraw/zinc/40/53/83/1111405383.db2.gz PDVUQJFVHQWUTO-DBVUQKKJSA-N 2 1 356.510 4.078 20 0 FIADMP CCCCn1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)n1 ZINC000539217996 1111479717 /nfs/dbraw/zinc/47/97/17/1111479717.db2.gz PPDKFKAWGVEDBC-MRXNPFEDSA-N 2 1 351.498 4.337 20 0 FIADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000462114590 1111502623 /nfs/dbraw/zinc/50/26/23/1111502623.db2.gz XWXSVZLBWQKBNB-HSZRJFAPSA-N 2 1 352.522 4.280 20 0 FIADMP CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552047833 1111556830 /nfs/dbraw/zinc/55/68/30/1111556830.db2.gz ZZWDWZFRVYJIAF-FDFHNCONSA-N 2 1 358.570 4.066 20 0 FIADMP CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552047831 1111557043 /nfs/dbraw/zinc/55/70/43/1111557043.db2.gz ZZWDWZFRVYJIAF-BHDDXSALSA-N 2 1 358.570 4.066 20 0 FIADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000552099308 1111585071 /nfs/dbraw/zinc/58/50/71/1111585071.db2.gz DSOQLZXNMQBHDG-ZINXYGQCSA-N 2 1 360.505 4.409 20 0 FIADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000552129163 1111594220 /nfs/dbraw/zinc/59/42/20/1111594220.db2.gz CLHRQRLWBFZJPC-OAQYLSRUSA-N 2 1 356.554 4.036 20 0 FIADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000552129163 1111594222 /nfs/dbraw/zinc/59/42/22/1111594222.db2.gz CLHRQRLWBFZJPC-OAQYLSRUSA-N 2 1 356.554 4.036 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000552129163 1111594224 /nfs/dbraw/zinc/59/42/24/1111594224.db2.gz CLHRQRLWBFZJPC-OAQYLSRUSA-N 2 1 356.554 4.036 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000552129163 1111594225 /nfs/dbraw/zinc/59/42/25/1111594225.db2.gz CLHRQRLWBFZJPC-OAQYLSRUSA-N 2 1 356.554 4.036 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000552129163 1111594227 /nfs/dbraw/zinc/59/42/27/1111594227.db2.gz CLHRQRLWBFZJPC-OAQYLSRUSA-N 2 1 356.554 4.036 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)nc3ccccn32)CC1)CC(C)C ZINC000552993728 1111881867 /nfs/dbraw/zinc/88/18/67/1111881867.db2.gz OXUPAPXDGZGZTN-UHFFFAOYSA-N 2 1 356.558 4.223 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055373 1111937865 /nfs/dbraw/zinc/93/78/65/1111937865.db2.gz FICPBTQCSNDUSM-SUYBPPKGSA-N 2 1 351.332 4.244 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055373 1111937866 /nfs/dbraw/zinc/93/78/66/1111937866.db2.gz FICPBTQCSNDUSM-SUYBPPKGSA-N 2 1 351.332 4.244 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479063413 1111939223 /nfs/dbraw/zinc/93/92/23/1111939223.db2.gz FEDHKGLHFUSRRO-HSZRJFAPSA-N 2 1 374.532 4.491 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264339 1111978744 /nfs/dbraw/zinc/97/87/44/1111978744.db2.gz COCFIAOSKZLLKB-OXQOHEQNSA-N 2 1 373.338 4.470 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264339 1111978745 /nfs/dbraw/zinc/97/87/45/1111978745.db2.gz COCFIAOSKZLLKB-OXQOHEQNSA-N 2 1 373.338 4.470 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000479335861 1111999263 /nfs/dbraw/zinc/99/92/63/1111999263.db2.gz MWSWXZBFGCJHSM-RKVPGOIHSA-N 2 1 363.343 4.388 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465789 1112034701 /nfs/dbraw/zinc/03/47/01/1112034701.db2.gz PXPNPRJMPSYHFX-NQIIRXRSSA-N 2 1 354.469 4.151 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465789 1112034705 /nfs/dbraw/zinc/03/47/05/1112034705.db2.gz PXPNPRJMPSYHFX-NQIIRXRSSA-N 2 1 354.469 4.151 20 0 FIADMP Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667534562 1112108935 /nfs/dbraw/zinc/10/89/35/1112108935.db2.gz FBWIEZQSLWJACL-UHFFFAOYSA-N 2 1 371.488 4.437 20 0 FIADMP COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000554049917 1112175674 /nfs/dbraw/zinc/17/56/74/1112175674.db2.gz YDJVFMZEKIRKSW-IAGOWNOFSA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000554049917 1112175676 /nfs/dbraw/zinc/17/56/76/1112175676.db2.gz YDJVFMZEKIRKSW-IAGOWNOFSA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000554049917 1112175679 /nfs/dbraw/zinc/17/56/79/1112175679.db2.gz YDJVFMZEKIRKSW-IAGOWNOFSA-N 2 1 371.500 4.312 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cnn1-c1ccc(F)cc1 ZINC000480148897 1112303125 /nfs/dbraw/zinc/30/31/25/1112303125.db2.gz ZRBOEZSPLPAQIF-QGZVFWFLSA-N 2 1 358.505 4.092 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)c1)C1CCOCC1 ZINC000554362657 1112317930 /nfs/dbraw/zinc/31/79/30/1112317930.db2.gz XNAUFRVSKAQYJI-FCHUYYIVSA-N 2 1 374.569 4.091 20 0 FIADMP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480243858 1112341683 /nfs/dbraw/zinc/34/16/83/1112341683.db2.gz WMEGSOFSCBASAI-GLDPYIMESA-N 2 1 364.533 4.381 20 0 FIADMP Clc1sccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000480363173 1112401810 /nfs/dbraw/zinc/40/18/10/1112401810.db2.gz XASVXDCQWHDONZ-UHFFFAOYSA-N 2 1 350.915 4.166 20 0 FIADMP CC(C)n1ncc2c1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000480461091 1112438814 /nfs/dbraw/zinc/43/88/14/1112438814.db2.gz NEIDFMBXESENMW-OAQYLSRUSA-N 2 1 368.569 4.069 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)n1 ZINC000480601459 1112491753 /nfs/dbraw/zinc/49/17/53/1112491753.db2.gz PXADDCDDGVEYCJ-IAGOWNOFSA-N 2 1 352.526 4.176 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000480733686 1112569641 /nfs/dbraw/zinc/56/96/41/1112569641.db2.gz BIZINGXEKISCMT-HSZRJFAPSA-N 2 1 351.538 4.065 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000480751130 1112577865 /nfs/dbraw/zinc/57/78/65/1112577865.db2.gz UYKMPLCWHJMWAH-KIFXHHALSA-N 2 1 363.549 4.013 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC001649004384 1112662059 /nfs/dbraw/zinc/66/20/59/1112662059.db2.gz FNDSLJKJLJLFPY-RDPSFJRHSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001649004384 1112662066 /nfs/dbraw/zinc/66/20/66/1112662066.db2.gz FNDSLJKJLJLFPY-RDPSFJRHSA-N 2 1 369.597 4.141 20 0 FIADMP C[N@H+]1CCC[C@]2(CC[NH+](CC/C=C\c3ccc(Br)cc3)C2)C1 ZINC000555597411 1112941462 /nfs/dbraw/zinc/94/14/62/1112941462.db2.gz HGBFDRYFPFRVPH-LVXZVAJSSA-N 2 1 363.343 4.270 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533630 1112971319 /nfs/dbraw/zinc/97/13/19/1112971319.db2.gz LECIZGHHDXSTMS-RTBURBONSA-N 2 1 364.533 4.247 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533630 1112971325 /nfs/dbraw/zinc/97/13/25/1112971325.db2.gz LECIZGHHDXSTMS-RTBURBONSA-N 2 1 364.533 4.247 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547339 1112978085 /nfs/dbraw/zinc/97/80/85/1112978085.db2.gz RUDKHLVZEKQQJK-ZHRRBRCNSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547339 1112978088 /nfs/dbraw/zinc/97/80/88/1112978088.db2.gz RUDKHLVZEKQQJK-ZHRRBRCNSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547335 1112978251 /nfs/dbraw/zinc/97/82/51/1112978251.db2.gz RUDKHLVZEKQQJK-KSFYIVLOSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547335 1112978253 /nfs/dbraw/zinc/97/82/53/1112978253.db2.gz RUDKHLVZEKQQJK-KSFYIVLOSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579313 1112988096 /nfs/dbraw/zinc/98/80/96/1112988096.db2.gz IETHBCCDBFMRPL-CVDCTZTESA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579313 1112988098 /nfs/dbraw/zinc/98/80/98/1112988098.db2.gz IETHBCCDBFMRPL-CVDCTZTESA-N 2 1 352.522 4.457 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915573 1113131230 /nfs/dbraw/zinc/13/12/30/1113131230.db2.gz CJJOMJJCQIBMBZ-UWJYYQICSA-N 2 1 355.551 4.486 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915573 1113131233 /nfs/dbraw/zinc/13/12/33/1113131233.db2.gz CJJOMJJCQIBMBZ-UWJYYQICSA-N 2 1 355.551 4.486 20 0 FIADMP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000482228280 1113204328 /nfs/dbraw/zinc/20/43/28/1113204328.db2.gz BKAWLHMBIOAYQS-UHFFFAOYSA-N 2 1 374.912 4.257 20 0 FIADMP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000482228280 1113204330 /nfs/dbraw/zinc/20/43/30/1113204330.db2.gz BKAWLHMBIOAYQS-UHFFFAOYSA-N 2 1 374.912 4.257 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326631 1113226313 /nfs/dbraw/zinc/22/63/13/1113226313.db2.gz ZDZURPNMNTWDMG-KBXCAEBGSA-N 2 1 356.432 4.283 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000482340827 1113229930 /nfs/dbraw/zinc/22/99/30/1113229930.db2.gz BWKLDFTVEVIRCZ-UONOGXRCSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000482343616 1113230025 /nfs/dbraw/zinc/23/00/25/1113230025.db2.gz LIAWHCXJUMKDQX-RDTXWAMCSA-N 2 1 351.332 4.146 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000482355139 1113231289 /nfs/dbraw/zinc/23/12/89/1113231289.db2.gz DVQOHQSPZXJYBE-UONOGXRCSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000482355139 1113231291 /nfs/dbraw/zinc/23/12/91/1113231291.db2.gz DVQOHQSPZXJYBE-UONOGXRCSA-N 2 1 357.311 4.359 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482445256 1113258729 /nfs/dbraw/zinc/25/87/29/1113258729.db2.gz ISDJNYYEPXTVJU-GGAORHGYSA-N 2 1 364.533 4.363 20 0 FIADMP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000482550514 1113292035 /nfs/dbraw/zinc/29/20/35/1113292035.db2.gz FVYNKLFCKYMLKN-HXUWFJFHSA-N 2 1 351.966 4.044 20 0 FIADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000482547797 1113293869 /nfs/dbraw/zinc/29/38/69/1113293869.db2.gz AMEINVSNZWDVKF-IBGZPJMESA-N 2 1 372.384 4.452 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000482882245 1113391257 /nfs/dbraw/zinc/39/12/57/1113391257.db2.gz AUNZAVKXLNXNRG-CRAIPNDOSA-N 2 1 359.341 4.271 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000482907818 1113397281 /nfs/dbraw/zinc/39/72/81/1113397281.db2.gz ZDWINZXQEXRWAC-REWPJTCUSA-N 2 1 366.549 4.313 20 0 FIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000668169272 1113405073 /nfs/dbraw/zinc/40/50/73/1113405073.db2.gz MDVPRPNXSDZOLB-LJQANCHMSA-N 2 1 369.484 4.177 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)c(F)c(C)c2)[C@@H](C)C1 ZINC000483151713 1113455352 /nfs/dbraw/zinc/45/53/52/1113455352.db2.gz HHCVUOXTHHWUBR-NSHGMRRFSA-N 2 1 350.522 4.230 20 0 FIADMP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486461858 1113572819 /nfs/dbraw/zinc/57/28/19/1113572819.db2.gz PQAOILFBWFSTDI-JURWAZFJSA-N 2 1 350.506 4.209 20 0 FIADMP C[C@@H](NCc1csc(-c2ccco2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514874 1113585580 /nfs/dbraw/zinc/58/55/80/1113585580.db2.gz FKAZJYGKBUNHNM-AEFFLSMTSA-N 2 1 367.518 4.403 20 0 FIADMP COc1cc(C)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000486522134 1113587847 /nfs/dbraw/zinc/58/78/47/1113587847.db2.gz YCJRZYCGTHPXMR-QUCCMNQESA-N 2 1 368.521 4.012 20 0 FIADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000488271937 1113895988 /nfs/dbraw/zinc/89/59/88/1113895988.db2.gz ZFIHQVHBWNJWBR-INIZCTEOSA-N 2 1 365.949 4.029 20 0 FIADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000490031012 1114204523 /nfs/dbraw/zinc/20/45/23/1114204523.db2.gz NBFLWTOZXCAVAR-SFHVURJKSA-N 2 1 371.912 4.296 20 0 FIADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490033545 1114205688 /nfs/dbraw/zinc/20/56/88/1114205688.db2.gz PILFHGOUJAFDPC-SFHVURJKSA-N 2 1 356.514 4.019 20 0 FIADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490033545 1114205692 /nfs/dbraw/zinc/20/56/92/1114205692.db2.gz PILFHGOUJAFDPC-SFHVURJKSA-N 2 1 356.514 4.019 20 0 FIADMP Brc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c2ncccc12 ZINC000491114590 1114371696 /nfs/dbraw/zinc/37/16/96/1114371696.db2.gz VYEZSSOYQVVQDJ-AWEZNQCLSA-N 2 1 371.282 4.100 20 0 FIADMP CCCn1nc(C)c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000571567020 1114481977 /nfs/dbraw/zinc/48/19/77/1114481977.db2.gz CMXVMRCOYOOHBA-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000571567020 1114481981 /nfs/dbraw/zinc/48/19/81/1114481981.db2.gz CMXVMRCOYOOHBA-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000571567020 1114481984 /nfs/dbraw/zinc/48/19/84/1114481984.db2.gz CMXVMRCOYOOHBA-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000571567020 1114481988 /nfs/dbraw/zinc/48/19/88/1114481988.db2.gz CMXVMRCOYOOHBA-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000571567020 1114481997 /nfs/dbraw/zinc/48/19/97/1114481997.db2.gz CMXVMRCOYOOHBA-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c(F)cn1 ZINC000571711078 1114493558 /nfs/dbraw/zinc/49/35/58/1114493558.db2.gz SYIBXLJJTNRONP-INIZCTEOSA-N 2 1 357.473 4.066 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2OC(F)F)C[C@@H]1C ZINC000572211984 1114622022 /nfs/dbraw/zinc/62/20/22/1114622022.db2.gz NXBDIZQVHVJWNY-QNPCKFRZSA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2OC(F)F)C[C@@H]1C ZINC000572211984 1114622026 /nfs/dbraw/zinc/62/20/26/1114622026.db2.gz NXBDIZQVHVJWNY-QNPCKFRZSA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2OC(F)F)C[C@@H]1C ZINC000572211984 1114622028 /nfs/dbraw/zinc/62/20/28/1114622028.db2.gz NXBDIZQVHVJWNY-QNPCKFRZSA-N 2 1 352.469 4.496 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1c1ccccc1 ZINC000572370807 1114638431 /nfs/dbraw/zinc/63/84/31/1114638431.db2.gz APHQHDBWHPSVPP-BJKOFHAPSA-N 3 1 363.549 4.208 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1c1ccccc1 ZINC000572370807 1114638434 /nfs/dbraw/zinc/63/84/34/1114638434.db2.gz APHQHDBWHPSVPP-BJKOFHAPSA-N 3 1 363.549 4.208 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000589835995 1114846952 /nfs/dbraw/zinc/84/69/52/1114846952.db2.gz CFLWTHGPWXALNC-AWEZNQCLSA-N 2 1 357.311 4.332 20 0 FIADMP c1ccc2nc(C[NH2+]Cc3cccc(C[NH+]4CCCCCC4)c3)cnc2c1 ZINC000589840845 1114847955 /nfs/dbraw/zinc/84/79/55/1114847955.db2.gz VAAQRXVSQNSAEW-UHFFFAOYSA-N 2 1 360.505 4.296 20 0 FIADMP COc1ccc(-c2nc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cs2)cc1 ZINC000590786246 1114974558 /nfs/dbraw/zinc/97/45/58/1114974558.db2.gz ITTIANSAGXQMPI-UHFFFAOYSA-N 2 1 373.566 4.371 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000573089938 1115048000 /nfs/dbraw/zinc/04/80/00/1115048000.db2.gz LVZHZPOOIIWQRC-FQEVSTJZSA-N 2 1 367.562 4.480 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000573089938 1115048005 /nfs/dbraw/zinc/04/80/05/1115048005.db2.gz LVZHZPOOIIWQRC-FQEVSTJZSA-N 2 1 367.562 4.480 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000591377186 1115071677 /nfs/dbraw/zinc/07/16/77/1115071677.db2.gz MLYJJSFJYCHLHB-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000591377186 1115071683 /nfs/dbraw/zinc/07/16/83/1115071683.db2.gz MLYJJSFJYCHLHB-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574878275 1115512455 /nfs/dbraw/zinc/51/24/55/1115512455.db2.gz ZQRFFNHTKADOOA-OAQYLSRUSA-N 2 1 374.532 4.132 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574878275 1115512456 /nfs/dbraw/zinc/51/24/56/1115512456.db2.gz ZQRFFNHTKADOOA-OAQYLSRUSA-N 2 1 374.532 4.132 20 0 FIADMP Oc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574916596 1115514406 /nfs/dbraw/zinc/51/44/06/1115514406.db2.gz XHAYILBOYGLIKC-OAQYLSRUSA-N 2 1 350.506 4.112 20 0 FIADMP Oc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574916596 1115514409 /nfs/dbraw/zinc/51/44/09/1115514409.db2.gz XHAYILBOYGLIKC-OAQYLSRUSA-N 2 1 350.506 4.112 20 0 FIADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)c(Br)c1 ZINC001231725492 1115617981 /nfs/dbraw/zinc/61/79/81/1115617981.db2.gz LJGWCBCQSPUQCK-UHFFFAOYSA-N 2 1 357.336 4.010 20 0 FIADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)c(Br)c1 ZINC001231725492 1115617982 /nfs/dbraw/zinc/61/79/82/1115617982.db2.gz LJGWCBCQSPUQCK-UHFFFAOYSA-N 2 1 357.336 4.010 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc(O)c1 ZINC000669617957 1115673283 /nfs/dbraw/zinc/67/32/83/1115673283.db2.gz MIRPLCFMBPGTRZ-CZEIZJIKSA-N 2 1 350.506 4.344 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982735 1115775460 /nfs/dbraw/zinc/77/54/60/1115775460.db2.gz YRRRQVYFWIHYPG-SNRMKQJTSA-N 2 1 358.526 4.019 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982735 1115775465 /nfs/dbraw/zinc/77/54/65/1115775465.db2.gz YRRRQVYFWIHYPG-SNRMKQJTSA-N 2 1 358.526 4.019 20 0 FIADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000607358127 1116022776 /nfs/dbraw/zinc/02/27/76/1116022776.db2.gz AXYABDXCPOTRAT-FQEVSTJZSA-N 2 1 352.522 4.066 20 0 FIADMP C[NH+](CCOC(c1ccccc1)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000607358127 1116022778 /nfs/dbraw/zinc/02/27/78/1116022778.db2.gz AXYABDXCPOTRAT-FQEVSTJZSA-N 2 1 352.522 4.066 20 0 FIADMP C[NH+](CCOC(c1ccccc1)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358127 1116022782 /nfs/dbraw/zinc/02/27/82/1116022782.db2.gz AXYABDXCPOTRAT-FQEVSTJZSA-N 2 1 352.522 4.066 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000608061237 1116079861 /nfs/dbraw/zinc/07/98/61/1116079861.db2.gz IEUXEKXMUUMRBI-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH]c(-c2ccccc2)n1 ZINC000509450328 1116198541 /nfs/dbraw/zinc/19/85/41/1116198541.db2.gz RHKOZHCCLREDBZ-JOCHJYFZSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)c(Br)cc1F ZINC000623998124 1116229935 /nfs/dbraw/zinc/22/99/35/1116229935.db2.gz HQCXMDDEWYUGKF-NSHDSACASA-N 2 1 361.274 4.252 20 0 FIADMP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000534794987 1116237689 /nfs/dbraw/zinc/23/76/89/1116237689.db2.gz SRSPEYCNHFYERY-GTNSWQLSSA-N 2 1 369.734 4.164 20 0 FIADMP Cc1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000534963809 1116258300 /nfs/dbraw/zinc/25/83/00/1116258300.db2.gz NQXQMOSEHUITDJ-UHFFFAOYSA-N 2 1 355.551 4.248 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000535369209 1116299648 /nfs/dbraw/zinc/29/96/48/1116299648.db2.gz JEIXUUCEXZBMTM-HZMBPMFUSA-N 2 1 365.237 4.040 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000535369209 1116299650 /nfs/dbraw/zinc/29/96/50/1116299650.db2.gz JEIXUUCEXZBMTM-HZMBPMFUSA-N 2 1 365.237 4.040 20 0 FIADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2cc3ccccc3o2)C(C)C)CC1 ZINC000539555255 1116344956 /nfs/dbraw/zinc/34/49/56/1116344956.db2.gz RCQGPBATMREYNP-QFIPXVFZSA-N 2 1 357.542 4.137 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000539714336 1116370315 /nfs/dbraw/zinc/37/03/15/1116370315.db2.gz OZWIIDMFTOOWTO-UHFFFAOYSA-N 2 1 350.506 4.103 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000539821200 1116385648 /nfs/dbraw/zinc/38/56/48/1116385648.db2.gz NFVUUFZRXZRLGC-CRAIPNDOSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000539821200 1116385651 /nfs/dbraw/zinc/38/56/51/1116385651.db2.gz NFVUUFZRXZRLGC-CRAIPNDOSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000539821200 1116385653 /nfs/dbraw/zinc/38/56/53/1116385653.db2.gz NFVUUFZRXZRLGC-CRAIPNDOSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000539821200 1116385655 /nfs/dbraw/zinc/38/56/55/1116385655.db2.gz NFVUUFZRXZRLGC-CRAIPNDOSA-N 2 1 368.949 4.300 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000462671714 1116386672 /nfs/dbraw/zinc/38/66/72/1116386672.db2.gz CUUPYACBNZNKDC-CALCHBBNSA-N 2 1 354.485 4.178 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000462673208 1116390980 /nfs/dbraw/zinc/39/09/80/1116390980.db2.gz FFNBGZIJIUIKEA-INIZCTEOSA-N 2 1 360.933 4.188 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000462673208 1116390981 /nfs/dbraw/zinc/39/09/81/1116390981.db2.gz FFNBGZIJIUIKEA-INIZCTEOSA-N 2 1 360.933 4.188 20 0 FIADMP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000539895240 1117739214 /nfs/dbraw/zinc/73/92/14/1117739214.db2.gz AJLGOOCYDNTMRS-YFNKSVMNSA-N 2 1 364.533 4.346 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462818964 1117794478 /nfs/dbraw/zinc/79/44/78/1117794478.db2.gz RMPPWPGAZDHQSQ-ZIAGYGMSSA-N 2 1 358.486 4.441 20 0 FIADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896315 1117844404 /nfs/dbraw/zinc/84/44/04/1117844404.db2.gz NFOFTYTZCXRCME-UZLBHIALSA-N 2 1 356.535 4.333 20 0 FIADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896315 1117844414 /nfs/dbraw/zinc/84/44/14/1117844414.db2.gz NFOFTYTZCXRCME-UZLBHIALSA-N 2 1 356.535 4.333 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[C@H](C)O1 ZINC000540175436 1117916085 /nfs/dbraw/zinc/91/60/85/1117916085.db2.gz IJWNCXBTOIOHQF-JTDSTZFVSA-N 2 1 366.933 4.033 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000540176635 1117916686 /nfs/dbraw/zinc/91/66/86/1117916686.db2.gz UJBNWNPVRJSSTO-LAUBAEHRSA-N 2 1 374.475 4.331 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302001 1117976335 /nfs/dbraw/zinc/97/63/35/1117976335.db2.gz MHHQNCUBVRHZEM-GBXCKJPGSA-N 2 1 364.533 4.301 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463130454 1117976594 /nfs/dbraw/zinc/97/65/94/1117976594.db2.gz WLOUKFLQOMRANR-NNMXDRDESA-N 2 1 352.522 4.269 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463130454 1117976596 /nfs/dbraw/zinc/97/65/96/1117976596.db2.gz WLOUKFLQOMRANR-NNMXDRDESA-N 2 1 352.522 4.269 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463130453 1117976701 /nfs/dbraw/zinc/97/67/01/1117976701.db2.gz WLOUKFLQOMRANR-JQVVWYNYSA-N 2 1 352.522 4.269 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463130453 1117976705 /nfs/dbraw/zinc/97/67/05/1117976705.db2.gz WLOUKFLQOMRANR-JQVVWYNYSA-N 2 1 352.522 4.269 20 0 FIADMP C[C@H]1C[C@@H](NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130734 1117978201 /nfs/dbraw/zinc/97/82/01/1117978201.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@H]1C[C@@H](NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130734 1117978203 /nfs/dbraw/zinc/97/82/03/1117978203.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@H]1C[C@@H](NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130734 1117978205 /nfs/dbraw/zinc/97/82/05/1117978205.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 2 1 365.565 4.151 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463134158 1117984385 /nfs/dbraw/zinc/98/43/85/1117984385.db2.gz XQFBEYHXRXSUSZ-UGKGYDQZSA-N 2 1 352.522 4.189 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463134158 1117984386 /nfs/dbraw/zinc/98/43/86/1117984386.db2.gz XQFBEYHXRXSUSZ-UGKGYDQZSA-N 2 1 352.522 4.189 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137205 1117986023 /nfs/dbraw/zinc/98/60/23/1117986023.db2.gz JHCMIMMOQCVWNX-CVDCTZTESA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137205 1117986026 /nfs/dbraw/zinc/98/60/26/1117986026.db2.gz JHCMIMMOQCVWNX-CVDCTZTESA-N 2 1 352.522 4.366 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463139613 1117986573 /nfs/dbraw/zinc/98/65/73/1117986573.db2.gz SOQIYEACZBZENG-NFBKMPQASA-N 2 1 374.532 4.058 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463139613 1117986574 /nfs/dbraw/zinc/98/65/74/1117986574.db2.gz SOQIYEACZBZENG-NFBKMPQASA-N 2 1 374.532 4.058 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463188635 1118006262 /nfs/dbraw/zinc/00/62/62/1118006262.db2.gz DUEKASXZCKIKEF-ZVDOUQERSA-N 2 1 368.521 4.105 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463188635 1118006267 /nfs/dbraw/zinc/00/62/67/1118006267.db2.gz DUEKASXZCKIKEF-ZVDOUQERSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000463190626 1118007096 /nfs/dbraw/zinc/00/70/96/1118007096.db2.gz JSQWPAKZZALBOR-UHFFFAOYSA-N 2 1 372.940 4.188 20 0 FIADMP Cc1ccc(O[C@H](C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463187436 1118017277 /nfs/dbraw/zinc/01/72/77/1118017277.db2.gz BBEHYEFUVVEDBC-HXUWFJFHSA-N 2 1 352.522 4.059 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540380023 1118031803 /nfs/dbraw/zinc/03/18/03/1118031803.db2.gz SCYBGVXXTSMVIE-GOSISDBHSA-N 2 1 362.315 4.475 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000540415744 1118042712 /nfs/dbraw/zinc/04/27/12/1118042712.db2.gz FTXQIYCYCKAFAK-ZBEGNZNMSA-N 2 1 366.328 4.027 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCNc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463291782 1118076383 /nfs/dbraw/zinc/07/63/83/1118076383.db2.gz YCWPXVFHIUODSD-ICSRJNTNSA-N 2 1 355.501 4.270 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCNc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463291782 1118076386 /nfs/dbraw/zinc/07/63/86/1118076386.db2.gz YCWPXVFHIUODSD-ICSRJNTNSA-N 2 1 355.501 4.270 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000540505001 1118096355 /nfs/dbraw/zinc/09/63/55/1118096355.db2.gz MRPCWTRUKKAXSJ-UHFFFAOYSA-N 2 1 373.566 4.133 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540748031 1118231843 /nfs/dbraw/zinc/23/18/43/1118231843.db2.gz NWCVFWRBRLCMEX-WMZHIEFXSA-N 2 1 351.538 4.379 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992655 1118341843 /nfs/dbraw/zinc/34/18/43/1118341843.db2.gz YKFAZUAXIMTTOE-SPEDKVCISA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992654 1118342068 /nfs/dbraw/zinc/34/20/68/1118342068.db2.gz YKFAZUAXIMTTOE-NPPFBWRTSA-N 2 1 365.521 4.206 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000464067984 1118425674 /nfs/dbraw/zinc/42/56/74/1118425674.db2.gz LSBNHTVPHKMKMJ-KTDPBYDISA-N 2 1 356.554 4.397 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@@H](c4ccccc4)[C@@H]3C)CCCC2)CC1 ZINC000464087645 1118441995 /nfs/dbraw/zinc/44/19/95/1118441995.db2.gz BMFAGRVICYTAAK-VLCRHTCISA-N 2 1 356.554 4.192 20 0 FIADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc2cccnc12 ZINC000541537938 1118546450 /nfs/dbraw/zinc/54/64/50/1118546450.db2.gz WHVBHSABSOICLU-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000541537938 1118546453 /nfs/dbraw/zinc/54/64/53/1118546453.db2.gz WHVBHSABSOICLU-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000541537938 1118546454 /nfs/dbraw/zinc/54/64/54/1118546454.db2.gz WHVBHSABSOICLU-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000541534452 1118552758 /nfs/dbraw/zinc/55/27/58/1118552758.db2.gz QGPDSSHRIFDJQD-YJBOKZPZSA-N 2 1 350.441 4.093 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600543 1118574671 /nfs/dbraw/zinc/57/46/71/1118574671.db2.gz LDPYXOJBWWSPAO-PXNSSMCTSA-N 2 1 372.553 4.385 20 0 FIADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541916099 1118706904 /nfs/dbraw/zinc/70/69/04/1118706904.db2.gz AKVPBNAXBWKNDX-DNQXCXABSA-N 2 1 366.549 4.000 20 0 FIADMP CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464833565 1118708805 /nfs/dbraw/zinc/70/88/05/1118708805.db2.gz FISMGTXKXUFHIK-QFIPXVFZSA-N 2 1 352.522 4.428 20 0 FIADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464833565 1118708812 /nfs/dbraw/zinc/70/88/12/1118708812.db2.gz FISMGTXKXUFHIK-QFIPXVFZSA-N 2 1 352.522 4.428 20 0 FIADMP CC(C)Oc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464833565 1118708817 /nfs/dbraw/zinc/70/88/17/1118708817.db2.gz FISMGTXKXUFHIK-QFIPXVFZSA-N 2 1 352.522 4.428 20 0 FIADMP CC(C)Oc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464833565 1118708818 /nfs/dbraw/zinc/70/88/18/1118708818.db2.gz FISMGTXKXUFHIK-QFIPXVFZSA-N 2 1 352.522 4.428 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542320372 1118904395 /nfs/dbraw/zinc/90/43/95/1118904395.db2.gz QCTOEJDXQCLFSG-CYBMUJFWSA-N 2 1 354.317 4.243 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542320372 1118904394 /nfs/dbraw/zinc/90/43/94/1118904394.db2.gz QCTOEJDXQCLFSG-CYBMUJFWSA-N 2 1 354.317 4.243 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000303596494 1118969908 /nfs/dbraw/zinc/96/99/08/1118969908.db2.gz WLDRKFWGEIRFEX-UHFFFAOYSA-N 2 1 362.949 4.171 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000303596494 1118969911 /nfs/dbraw/zinc/96/99/11/1118969911.db2.gz WLDRKFWGEIRFEX-UHFFFAOYSA-N 2 1 362.949 4.171 20 0 FIADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168442523 1118988088 /nfs/dbraw/zinc/98/80/88/1118988088.db2.gz VWPLVJJWKFJUTQ-CVDCTZTESA-N 2 1 352.497 4.137 20 0 FIADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168442523 1118988090 /nfs/dbraw/zinc/98/80/90/1118988090.db2.gz VWPLVJJWKFJUTQ-CVDCTZTESA-N 2 1 352.497 4.137 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000492113411 1119027379 /nfs/dbraw/zinc/02/73/79/1119027379.db2.gz YNBDVHXEPCJOEJ-JTSKRJEESA-N 2 1 370.562 4.047 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000492251448 1119058089 /nfs/dbraw/zinc/05/80/89/1119058089.db2.gz HVSLCUCRPCWUDC-FCHUYYIVSA-N 2 1 372.940 4.256 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492533595 1119120086 /nfs/dbraw/zinc/12/00/86/1119120086.db2.gz AZPYYMCEUHQVQG-QUCCMNQESA-N 2 1 367.537 4.259 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492533595 1119120088 /nfs/dbraw/zinc/12/00/88/1119120088.db2.gz AZPYYMCEUHQVQG-QUCCMNQESA-N 2 1 367.537 4.259 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000542465096 1119287648 /nfs/dbraw/zinc/28/76/48/1119287648.db2.gz SRAQIXGOTTZZLL-VFNWGFHPSA-N 2 1 350.441 4.298 20 0 FIADMP Brc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309652025 1119292831 /nfs/dbraw/zinc/29/28/31/1119292831.db2.gz ALRLHWZFELKPDC-OAHLLOKOSA-N 2 1 365.340 4.122 20 0 FIADMP Brc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309652025 1119292835 /nfs/dbraw/zinc/29/28/35/1119292835.db2.gz ALRLHWZFELKPDC-OAHLLOKOSA-N 2 1 365.340 4.122 20 0 FIADMP COc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](CCOC(C)C)CC3)ccc2c1 ZINC000177486048 1119332916 /nfs/dbraw/zinc/33/29/16/1119332916.db2.gz WVZDOKJHFLURJJ-GOSISDBHSA-N 2 1 370.537 4.388 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000177489592 1119333728 /nfs/dbraw/zinc/33/37/28/1119333728.db2.gz PIDUPNLWALRHMM-OAHLLOKOSA-N 2 1 374.447 4.125 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311066295 1119355973 /nfs/dbraw/zinc/35/59/73/1119355973.db2.gz JKVJXSWGIMAYNZ-FUHWJXTLSA-N 2 1 357.567 4.441 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311066295 1119355978 /nfs/dbraw/zinc/35/59/78/1119355978.db2.gz JKVJXSWGIMAYNZ-FUHWJXTLSA-N 2 1 357.567 4.441 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311537665 1119378557 /nfs/dbraw/zinc/37/85/57/1119378557.db2.gz SOIHRWCCCXIJCO-GOSISDBHSA-N 2 1 364.411 4.197 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311590935 1119380259 /nfs/dbraw/zinc/38/02/59/1119380259.db2.gz AKZSJXYWOBYVSF-DXIQSLLYSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817346 1119390527 /nfs/dbraw/zinc/39/05/27/1119390527.db2.gz PSSUEVXMTNUIIS-FUHWJXTLSA-N 2 1 360.448 4.461 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817346 1119390530 /nfs/dbraw/zinc/39/05/30/1119390530.db2.gz PSSUEVXMTNUIIS-FUHWJXTLSA-N 2 1 360.448 4.461 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2ccc(F)cc2)cc1 ZINC000493278480 1119438470 /nfs/dbraw/zinc/43/84/70/1119438470.db2.gz UZLMDJPBKJOYMO-KCZVDYSFSA-N 2 1 356.485 4.386 20 0 FIADMP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1)c1ccccc1 ZINC000493869982 1119501160 /nfs/dbraw/zinc/50/11/60/1119501160.db2.gz CXWCNSXYVJRYRQ-CWJKEVGVSA-N 2 1 354.538 4.197 20 0 FIADMP CCCc1csc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000494177102 1119551579 /nfs/dbraw/zinc/55/15/79/1119551579.db2.gz UNCODCHYXALAQJ-IEBWSBKVSA-N 2 1 357.567 4.486 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183190055 1119568551 /nfs/dbraw/zinc/56/85/51/1119568551.db2.gz ISLIZXFOBITWBC-SVFBPWRDSA-N 2 1 366.553 4.235 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183190055 1119568555 /nfs/dbraw/zinc/56/85/55/1119568555.db2.gz ISLIZXFOBITWBC-SVFBPWRDSA-N 2 1 366.553 4.235 20 0 FIADMP Cc1cc(N2CCC([NH2+]C3c4ccccc4-c4ccccc43)CC2)nc(C)[nH+]1 ZINC000183854849 1119586117 /nfs/dbraw/zinc/58/61/17/1119586117.db2.gz HSASWDWJBVYNPP-UHFFFAOYSA-N 2 1 370.500 4.422 20 0 FIADMP CCSc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000185623496 1119676516 /nfs/dbraw/zinc/67/65/16/1119676516.db2.gz DTBZMTNJSQMWCX-OAQYLSRUSA-N 2 1 370.562 4.045 20 0 FIADMP Cc1nc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cc2s1 ZINC000494340293 1119828316 /nfs/dbraw/zinc/82/83/16/1119828316.db2.gz RYNKNIUUVPHUBI-FQEVSTJZSA-N 2 1 365.546 4.259 20 0 FIADMP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)[C@@H]2C ZINC000542485521 1119932801 /nfs/dbraw/zinc/93/28/01/1119932801.db2.gz POURVGZGJQXGKM-DOTOQJQBSA-N 2 1 362.477 4.092 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245777 1119967031 /nfs/dbraw/zinc/96/70/31/1119967031.db2.gz ISVOXCNWACCMSO-WMZOPIPTSA-N 2 1 360.571 4.397 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245777 1119967033 /nfs/dbraw/zinc/96/70/33/1119967033.db2.gz ISVOXCNWACCMSO-WMZOPIPTSA-N 2 1 360.571 4.397 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245809 1119967148 /nfs/dbraw/zinc/96/71/48/1119967148.db2.gz ISVOXCNWACCMSO-FUHWJXTLSA-N 2 1 360.571 4.397 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245809 1119967151 /nfs/dbraw/zinc/96/71/51/1119967151.db2.gz ISVOXCNWACCMSO-FUHWJXTLSA-N 2 1 360.571 4.397 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CCS2 ZINC000191547273 1119983395 /nfs/dbraw/zinc/98/33/95/1119983395.db2.gz JPOVLYGLMQDKSX-GQIGUUNPSA-N 2 1 360.567 4.475 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)s2)c1 ZINC000193071031 1120098211 /nfs/dbraw/zinc/09/82/11/1120098211.db2.gz SBEUEUAFVSKLRZ-OAHLLOKOSA-N 2 1 373.547 4.466 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)s2)c1 ZINC000193071031 1120098212 /nfs/dbraw/zinc/09/82/12/1120098212.db2.gz SBEUEUAFVSKLRZ-OAHLLOKOSA-N 2 1 373.547 4.466 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000195133158 1120120418 /nfs/dbraw/zinc/12/04/18/1120120418.db2.gz DNRGUGFLOCQUIM-KNQAVFIVSA-N 2 1 366.505 4.021 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000194062851 1120236122 /nfs/dbraw/zinc/23/61/22/1120236122.db2.gz WXGJWNKQNZZUOR-UHFFFAOYSA-N 2 1 372.944 4.107 20 0 FIADMP C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534265 1120435270 /nfs/dbraw/zinc/43/52/70/1120435270.db2.gz RNHNTTUBGLLMTL-IRXDYDNUSA-N 2 1 350.934 4.352 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495415297 1120793265 /nfs/dbraw/zinc/79/32/65/1120793265.db2.gz OURXFFLZHVTRKJ-DYXWJJEUSA-N 2 1 351.538 4.314 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc(Br)ncc1F ZINC000762738591 1120957042 /nfs/dbraw/zinc/95/70/42/1120957042.db2.gz UWSCJGLFGBPKQJ-UONOGXRCSA-N 2 1 372.326 4.146 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000236810590 1120969868 /nfs/dbraw/zinc/96/98/68/1120969868.db2.gz YOIBNIGILXBQGL-OAQYLSRUSA-N 2 1 368.521 4.096 20 0 FIADMP CCC[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236793237 1120969959 /nfs/dbraw/zinc/96/99/59/1120969959.db2.gz DKNCPVVZIQAYAZ-UHFFFAOYSA-N 2 1 355.309 4.233 20 0 FIADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OCc1ccccc1 ZINC000237111187 1120973719 /nfs/dbraw/zinc/97/37/19/1120973719.db2.gz WBHGXAVHZYSYNV-UHFFFAOYSA-N 2 1 368.521 4.237 20 0 FIADMP ClC1(Cl)C[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925927 1120998334 /nfs/dbraw/zinc/99/83/34/1120998334.db2.gz JHZVCSOOVPSAKI-QGZVFWFLSA-N 2 1 353.337 4.168 20 0 FIADMP Cc1ccc([C@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762926432 1120998346 /nfs/dbraw/zinc/99/83/46/1120998346.db2.gz JYWLWDCKILXPRZ-HSZRJFAPSA-N 2 1 364.533 4.017 20 0 FIADMP CN1CC[NH+](Cc2cccc(C[NH2+]C3CCC4(CCCCC4)CC3)c2)CC1 ZINC001649060379 1121423187 /nfs/dbraw/zinc/42/31/87/1121423187.db2.gz MHRPDXOSYKMLQO-UHFFFAOYSA-N 2 1 369.597 4.417 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000108428701 1121542004 /nfs/dbraw/zinc/54/20/04/1121542004.db2.gz BFYRDZRMRHSUSH-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000671741414 1121638496 /nfs/dbraw/zinc/63/84/96/1121638496.db2.gz LZKYFLNPQIPMJA-ROUUACIJSA-N 2 1 362.558 4.187 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741190 1121639477 /nfs/dbraw/zinc/63/94/77/1121639477.db2.gz MGZDQCBWKCNRDH-HNNXBMFYSA-N 2 1 353.466 4.224 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@@H+]1C ZINC000123993518 1121653413 /nfs/dbraw/zinc/65/34/13/1121653413.db2.gz AYQUNHLQSPFETO-AZUAARDMSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000123993518 1121653418 /nfs/dbraw/zinc/65/34/18/1121653418.db2.gz AYQUNHLQSPFETO-AZUAARDMSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993518 1121653419 /nfs/dbraw/zinc/65/34/19/1121653419.db2.gz AYQUNHLQSPFETO-AZUAARDMSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993518 1121653424 /nfs/dbraw/zinc/65/34/24/1121653424.db2.gz AYQUNHLQSPFETO-AZUAARDMSA-N 2 1 365.521 4.097 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000671746331 1121664685 /nfs/dbraw/zinc/66/46/85/1121664685.db2.gz PFMUDYLMBDYMLV-OBFZPWGMSA-N 2 1 350.506 4.412 20 0 FIADMP CCn1c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nc2ccccc21 ZINC000065976502 1121727227 /nfs/dbraw/zinc/72/72/27/1121727227.db2.gz ARUKWJSVFQLTCU-UHFFFAOYSA-N 2 1 350.510 4.186 20 0 FIADMP CCn1c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nc2ccccc21 ZINC000065976502 1121727236 /nfs/dbraw/zinc/72/72/36/1121727236.db2.gz ARUKWJSVFQLTCU-UHFFFAOYSA-N 2 1 350.510 4.186 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000065981527 1121729275 /nfs/dbraw/zinc/72/92/75/1121729275.db2.gz DISJNHQZUSASGZ-LJQANCHMSA-N 2 1 362.521 4.278 20 0 FIADMP CCCOc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000125064774 1121744088 /nfs/dbraw/zinc/74/40/88/1121744088.db2.gz SBBXRBSPNZCQKP-UHFFFAOYSA-N 2 1 367.537 4.009 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000125376422 1121774241 /nfs/dbraw/zinc/77/42/41/1121774241.db2.gz QAHYTSNZBSHVFY-INIZCTEOSA-N 2 1 371.352 4.459 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000125429476 1121779400 /nfs/dbraw/zinc/77/94/00/1121779400.db2.gz OWSLUUKKFZWJMW-NPPFBWRTSA-N 2 1 365.521 4.066 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000125429476 1121779402 /nfs/dbraw/zinc/77/94/02/1121779402.db2.gz OWSLUUKKFZWJMW-NPPFBWRTSA-N 2 1 365.521 4.066 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000125533318 1121789849 /nfs/dbraw/zinc/78/98/49/1121789849.db2.gz WVAYFNPGNBPRKP-KRWDZBQOSA-N 2 1 360.933 4.004 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CCCOC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000671764655 1121798586 /nfs/dbraw/zinc/79/85/86/1121798586.db2.gz POEHMTIZTAIABC-QRFRQXIXSA-N 2 1 352.950 4.170 20 0 FIADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000125670455 1121803605 /nfs/dbraw/zinc/80/36/05/1121803605.db2.gz CWMMYORMJSRBBG-PKOBYXMFSA-N 2 1 365.443 4.217 20 0 FIADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000125670455 1121803617 /nfs/dbraw/zinc/80/36/17/1121803617.db2.gz CWMMYORMJSRBBG-PKOBYXMFSA-N 2 1 365.443 4.217 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000916840009 1121882215 /nfs/dbraw/zinc/88/22/15/1121882215.db2.gz VXMYXRZIEYOJFE-INIZCTEOSA-N 2 1 360.448 4.290 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000125994829 1121905546 /nfs/dbraw/zinc/90/55/46/1121905546.db2.gz DUAWEKPTJKQLFX-UHFFFAOYSA-N 2 1 369.484 4.040 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2cc(F)ccc2F)cc1 ZINC000917008175 1122000480 /nfs/dbraw/zinc/00/04/80/1122000480.db2.gz GNSWOZCQQZCBSB-AOMKIAJQSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3F)cc2)C1 ZINC000917009118 1122002228 /nfs/dbraw/zinc/00/22/28/1122002228.db2.gz XXUBUMVOUICRDY-KSFYIVLOSA-N 2 1 374.475 4.020 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000127290187 1122075247 /nfs/dbraw/zinc/07/52/47/1122075247.db2.gz DSZZZBYLDGQBKT-IRXDYDNUSA-N 2 1 359.489 4.281 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc(C)cc2)cc1 ZINC000166374808 1122090850 /nfs/dbraw/zinc/09/08/50/1122090850.db2.gz WTNCRMQWTIDFEK-QZNHQXDQSA-N 2 1 350.506 4.309 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(C)cc2)cc1 ZINC000166374808 1122090856 /nfs/dbraw/zinc/09/08/56/1122090856.db2.gz WTNCRMQWTIDFEK-QZNHQXDQSA-N 2 1 350.506 4.309 20 0 FIADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000127603120 1122124824 /nfs/dbraw/zinc/12/48/24/1122124824.db2.gz AQSBUMVGIXBUTN-QFIPXVFZSA-N 2 1 366.553 4.426 20 0 FIADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000127603120 1122124827 /nfs/dbraw/zinc/12/48/27/1122124827.db2.gz AQSBUMVGIXBUTN-QFIPXVFZSA-N 2 1 366.553 4.426 20 0 FIADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(-c2ccccc2)c1 ZINC000128242885 1122208814 /nfs/dbraw/zinc/20/88/14/1122208814.db2.gz YTYWJMIRTFZWOB-HXUWFJFHSA-N 2 1 351.538 4.032 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000497409957 1122220917 /nfs/dbraw/zinc/22/09/17/1122220917.db2.gz BWUPZKQLKROGHO-LSUHJGNXSA-N 2 1 364.533 4.264 20 0 FIADMP CN(CCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556058416 1122627900 /nfs/dbraw/zinc/62/79/00/1122627900.db2.gz IBQLKGUNCKNIKX-GMAHTHKFSA-N 2 1 351.538 4.328 20 0 FIADMP CN(CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556058416 1122627903 /nfs/dbraw/zinc/62/79/03/1122627903.db2.gz IBQLKGUNCKNIKX-GMAHTHKFSA-N 2 1 351.538 4.328 20 0 FIADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763430832 1122744515 /nfs/dbraw/zinc/74/45/15/1122744515.db2.gz FMMUPHAUSXCQPG-XMSQKQJNSA-N 2 1 362.533 4.144 20 0 FIADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763430826 1122744600 /nfs/dbraw/zinc/74/46/00/1122744600.db2.gz FMMUPHAUSXCQPG-GCJKJVERSA-N 2 1 362.533 4.144 20 0 FIADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556228611 1122745453 /nfs/dbraw/zinc/74/54/53/1122745453.db2.gz ASYFKCKQUKBQFH-CEMLEFRQSA-N 2 1 356.554 4.084 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000556480722 1122914037 /nfs/dbraw/zinc/91/40/37/1122914037.db2.gz KJHMUCMRTCNSFI-QHCPKHFHSA-N 2 1 357.586 4.195 20 0 FIADMP CC(C)(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2o1 ZINC000498942660 1123093781 /nfs/dbraw/zinc/09/37/81/1123093781.db2.gz MWIDGRKIZOCQBH-WIYYLYMNSA-N 2 1 358.526 4.347 20 0 FIADMP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000072725480 1123133271 /nfs/dbraw/zinc/13/32/71/1123133271.db2.gz SGQPNZQQQVLVRT-CQSZACIVSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000072725480 1123133276 /nfs/dbraw/zinc/13/32/76/1123133276.db2.gz SGQPNZQQQVLVRT-CQSZACIVSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)CC[C@H]1CCCC[N@H+]1C ZINC000072725480 1123133279 /nfs/dbraw/zinc/13/32/79/1123133279.db2.gz SGQPNZQQQVLVRT-CQSZACIVSA-N 2 1 372.340 4.128 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000514926131 1123157491 /nfs/dbraw/zinc/15/74/91/1123157491.db2.gz XCTLFYXQADZBOM-ODGPQVTHSA-N 2 1 363.549 4.328 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000514926131 1123157497 /nfs/dbraw/zinc/15/74/97/1123157497.db2.gz XCTLFYXQADZBOM-ODGPQVTHSA-N 2 1 363.549 4.328 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556889552 1123175523 /nfs/dbraw/zinc/17/55/23/1123175523.db2.gz JHGPPIBXELTJMA-ILZDJORESA-N 2 1 374.569 4.186 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556890432 1123176518 /nfs/dbraw/zinc/17/65/18/1123176518.db2.gz LKHDNBQLJQVCJZ-VZAIETPKSA-N 2 1 370.581 4.472 20 0 FIADMP C[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925943 1123237336 /nfs/dbraw/zinc/23/73/36/1123237336.db2.gz OEGLLRBMLAGMHK-DOTOQJQBSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925943 1123237339 /nfs/dbraw/zinc/23/73/39/1123237339.db2.gz OEGLLRBMLAGMHK-DOTOQJQBSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925943 1123237343 /nfs/dbraw/zinc/23/73/43/1123237343.db2.gz OEGLLRBMLAGMHK-DOTOQJQBSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925943 1123237346 /nfs/dbraw/zinc/23/73/46/1123237346.db2.gz OEGLLRBMLAGMHK-DOTOQJQBSA-N 2 1 365.359 4.216 20 0 FIADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)c1ccccc1 ZINC000499140999 1123283777 /nfs/dbraw/zinc/28/37/77/1123283777.db2.gz IYKOJDCQSDIOSP-HFGNEKBZSA-N 2 1 363.549 4.297 20 0 FIADMP Fc1ccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000499148181 1123292144 /nfs/dbraw/zinc/29/21/44/1123292144.db2.gz CAUPGXVCWGFVSM-LDLYASANSA-N 2 1 372.459 4.129 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499231284 1123340328 /nfs/dbraw/zinc/34/03/28/1123340328.db2.gz UTCPZCBFWQFIAD-IITNATTFSA-N 2 1 364.533 4.411 20 0 FIADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232155 1123341215 /nfs/dbraw/zinc/34/12/15/1123341215.db2.gz GOWJZYVXIDNGMG-NMIHRBCNSA-N 2 1 350.506 4.239 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132748736 1123355572 /nfs/dbraw/zinc/35/55/72/1123355572.db2.gz NEVGZHCPFFVTPF-GOSISDBHSA-N 2 1 355.448 4.332 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237185939 1123601301 /nfs/dbraw/zinc/60/13/01/1123601301.db2.gz QDEOZCLROIEXLO-WOJBJXKFSA-N 2 1 374.960 4.164 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nc2c(s1)CCC2 ZINC000134696670 1123662678 /nfs/dbraw/zinc/66/26/78/1123662678.db2.gz SPGRKKURXBCAHH-MRXNPFEDSA-N 2 1 355.551 4.469 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137075564 1123960982 /nfs/dbraw/zinc/96/09/82/1123960982.db2.gz CMCHFKXDRFDVNG-UHFFFAOYSA-N 2 1 359.739 4.455 20 0 FIADMP CC(C)N(C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000615316367 1123989383 /nfs/dbraw/zinc/98/93/83/1123989383.db2.gz RQGABZBZJNXPRF-PMACEKPBSA-N 2 1 373.585 4.185 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601462 1124134047 /nfs/dbraw/zinc/13/40/47/1124134047.db2.gz MMROEJMQVDPKEK-AEFFLSMTSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601462 1124134050 /nfs/dbraw/zinc/13/40/50/1124134050.db2.gz MMROEJMQVDPKEK-AEFFLSMTSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601462 1124134052 /nfs/dbraw/zinc/13/40/52/1124134052.db2.gz MMROEJMQVDPKEK-AEFFLSMTSA-N 2 1 374.916 4.054 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000245624431 1124148723 /nfs/dbraw/zinc/14/87/23/1124148723.db2.gz PQUFWWGVJLYTOD-QVHQYWGISA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000245624431 1124148731 /nfs/dbraw/zinc/14/87/31/1124148731.db2.gz PQUFWWGVJLYTOD-QVHQYWGISA-N 2 1 360.567 4.068 20 0 FIADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245637022 1124154741 /nfs/dbraw/zinc/15/47/41/1124154741.db2.gz AAABSJJGQQEPSN-JOZNFPNDSA-N 3 1 369.597 4.284 20 0 FIADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245637022 1124154743 /nfs/dbraw/zinc/15/47/43/1124154743.db2.gz AAABSJJGQQEPSN-JOZNFPNDSA-N 2 1 369.597 4.284 20 0 FIADMP OCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000245637112 1124155319 /nfs/dbraw/zinc/15/53/19/1124155319.db2.gz ABHHSDSSSPMOLG-BJESRGMDSA-N 2 1 356.554 4.103 20 0 FIADMP COc1cc(F)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245645257 1124161652 /nfs/dbraw/zinc/16/16/52/1124161652.db2.gz BJLIZIVGFGJYJF-WKCHPHFGSA-N 2 1 354.469 4.120 20 0 FIADMP COc1cc(F)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245645257 1124161660 /nfs/dbraw/zinc/16/16/60/1124161660.db2.gz BJLIZIVGFGJYJF-WKCHPHFGSA-N 2 1 354.469 4.120 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245749382 1124238312 /nfs/dbraw/zinc/23/83/12/1124238312.db2.gz TWHLMCTXCFZVLN-DKUWSORSSA-N 2 1 365.521 4.154 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245749382 1124238318 /nfs/dbraw/zinc/23/83/18/1124238318.db2.gz TWHLMCTXCFZVLN-DKUWSORSSA-N 2 1 365.521 4.154 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180130832 1124239462 /nfs/dbraw/zinc/23/94/62/1124239462.db2.gz ZCCGVRSWTPZUOB-VIQWUECVSA-N 2 1 367.578 4.067 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245872359 1124269407 /nfs/dbraw/zinc/26/94/07/1124269407.db2.gz LPLSZBGVIBZQHC-SVMVAKDDSA-N 2 1 366.553 4.139 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245872359 1124269411 /nfs/dbraw/zinc/26/94/11/1124269411.db2.gz LPLSZBGVIBZQHC-SVMVAKDDSA-N 2 1 366.553 4.139 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1 ZINC000765877748 1124309114 /nfs/dbraw/zinc/30/91/14/1124309114.db2.gz GDYLXNNPFVQLAC-SBUREZEXSA-N 2 1 361.489 4.055 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1F ZINC000246041705 1124324036 /nfs/dbraw/zinc/32/40/36/1124324036.db2.gz XDAIFPJIUMUIGL-JTSKRJEESA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1F ZINC000246041705 1124324039 /nfs/dbraw/zinc/32/40/39/1124324039.db2.gz XDAIFPJIUMUIGL-JTSKRJEESA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1F ZINC000246041697 1124324564 /nfs/dbraw/zinc/32/45/64/1124324564.db2.gz XDAIFPJIUMUIGL-HTAPYJJXSA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1F ZINC000246041697 1124324574 /nfs/dbraw/zinc/32/45/74/1124324574.db2.gz XDAIFPJIUMUIGL-HTAPYJJXSA-N 2 1 356.485 4.287 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000246504673 1124518303 /nfs/dbraw/zinc/51/83/03/1124518303.db2.gz NJRHKRHPRCUNHM-OXJNMPFZSA-N 2 1 364.493 4.121 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000246504673 1124518310 /nfs/dbraw/zinc/51/83/10/1124518310.db2.gz NJRHKRHPRCUNHM-OXJNMPFZSA-N 2 1 364.493 4.121 20 0 FIADMP CC(C)c1nccn1Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000246725690 1124553818 /nfs/dbraw/zinc/55/38/18/1124553818.db2.gz MGRFDDCSMOGKQF-FGTMMUONSA-N 2 1 368.525 4.255 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000246725690 1124553824 /nfs/dbraw/zinc/55/38/24/1124553824.db2.gz MGRFDDCSMOGKQF-FGTMMUONSA-N 2 1 368.525 4.255 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC001168662272 1124562443 /nfs/dbraw/zinc/56/24/43/1124562443.db2.gz DODNCVJDCFUZEH-QXUYBEEESA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC001168662272 1124562447 /nfs/dbraw/zinc/56/24/47/1124562447.db2.gz DODNCVJDCFUZEH-QXUYBEEESA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)CCO2)cc1 ZINC001168662272 1124562451 /nfs/dbraw/zinc/56/24/51/1124562451.db2.gz DODNCVJDCFUZEH-QXUYBEEESA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC001168662266 1124562486 /nfs/dbraw/zinc/56/24/86/1124562486.db2.gz DODNCVJDCFUZEH-FKEBYFGASA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC001168662266 1124562488 /nfs/dbraw/zinc/56/24/88/1124562488.db2.gz DODNCVJDCFUZEH-FKEBYFGASA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)CCO2)cc1 ZINC001168662266 1124562490 /nfs/dbraw/zinc/56/24/90/1124562490.db2.gz DODNCVJDCFUZEH-FKEBYFGASA-N 2 1 372.553 4.254 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000247081045 1124588898 /nfs/dbraw/zinc/58/88/98/1124588898.db2.gz OWSLUUKKFZWJMW-JBYIUTFZSA-N 2 1 365.521 4.066 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000247081045 1124588905 /nfs/dbraw/zinc/58/89/05/1124588905.db2.gz OWSLUUKKFZWJMW-JBYIUTFZSA-N 2 1 365.521 4.066 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247213649 1124599495 /nfs/dbraw/zinc/59/94/95/1124599495.db2.gz XDIYNVXQGCQRJO-DLBZAZTESA-N 2 1 358.551 4.382 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247213649 1124599501 /nfs/dbraw/zinc/59/95/01/1124599501.db2.gz XDIYNVXQGCQRJO-DLBZAZTESA-N 2 1 358.551 4.382 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000247253389 1124612062 /nfs/dbraw/zinc/61/20/62/1124612062.db2.gz ZVCMAMCQXWQRRT-RTBURBONSA-N 2 1 357.542 4.119 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3n2)[C@H](C)C1 ZINC000247950715 1124733265 /nfs/dbraw/zinc/73/32/65/1124733265.db2.gz DZKQEUOBNIWHPP-GGPKGHCWSA-N 2 1 355.526 4.022 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3n2)[C@H](C)C1 ZINC000247950715 1124733274 /nfs/dbraw/zinc/73/32/74/1124733274.db2.gz DZKQEUOBNIWHPP-GGPKGHCWSA-N 2 1 355.526 4.022 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011299 1124737399 /nfs/dbraw/zinc/73/73/99/1124737399.db2.gz LHQFAXHEKUZTHB-YOEHRIQHSA-N 2 1 359.514 4.258 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011299 1124737402 /nfs/dbraw/zinc/73/74/02/1124737402.db2.gz LHQFAXHEKUZTHB-YOEHRIQHSA-N 2 1 359.514 4.258 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC000248046761 1124739069 /nfs/dbraw/zinc/73/90/69/1124739069.db2.gz VIOQKTNPINGFIT-SCTDSRPQSA-N 2 1 374.525 4.229 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC000248046761 1124739080 /nfs/dbraw/zinc/73/90/80/1124739080.db2.gz VIOQKTNPINGFIT-SCTDSRPQSA-N 2 1 374.525 4.229 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000248031042 1124739103 /nfs/dbraw/zinc/73/91/03/1124739103.db2.gz QJHQVTASKQNDPP-BXWFABGCSA-N 2 1 370.484 4.076 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC000248046758 1124739499 /nfs/dbraw/zinc/73/94/99/1124739499.db2.gz VIOQKTNPINGFIT-LNLFQRSKSA-N 2 1 374.525 4.229 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3cccc(OC)c3o2)[C@@H](C)C1 ZINC000248046758 1124739504 /nfs/dbraw/zinc/73/95/04/1124739504.db2.gz VIOQKTNPINGFIT-LNLFQRSKSA-N 2 1 374.525 4.229 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000248066020 1124740021 /nfs/dbraw/zinc/74/00/21/1124740021.db2.gz MGCRAZDFUQKPPQ-BQFCYCMXSA-N 2 1 361.555 4.084 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCCCO2 ZINC000248403844 1124763008 /nfs/dbraw/zinc/76/30/08/1124763008.db2.gz PGCFDOKNDJNRLX-LNLFQRSKSA-N 2 1 358.526 4.152 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000248441659 1124769242 /nfs/dbraw/zinc/76/92/42/1124769242.db2.gz KHKOEJBYPOFFJR-SJORKVTESA-N 2 1 364.942 4.209 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000248451998 1124770591 /nfs/dbraw/zinc/77/05/91/1124770591.db2.gz PPSLVMLSBLFKJL-APWZRJJASA-N 2 1 358.551 4.118 20 0 FIADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000248449848 1124770675 /nfs/dbraw/zinc/77/06/75/1124770675.db2.gz ORFGSMNJIORACB-REWPJTCUSA-N 2 1 364.533 4.156 20 0 FIADMP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1C ZINC000248453061 1124772714 /nfs/dbraw/zinc/77/27/14/1124772714.db2.gz QGUJFVUCSKCLHO-UGKGYDQZSA-N 2 1 352.522 4.111 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000248739034 1124808331 /nfs/dbraw/zinc/80/83/31/1124808331.db2.gz PQUFWWGVJLYTOD-CVYSASLGSA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000248739034 1124808333 /nfs/dbraw/zinc/80/83/33/1124808333.db2.gz PQUFWWGVJLYTOD-CVYSASLGSA-N 2 1 360.567 4.068 20 0 FIADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000249255956 1124852205 /nfs/dbraw/zinc/85/22/05/1124852205.db2.gz GNCKJSMCLYBNJU-OTWHNJEPSA-N 2 1 354.460 4.262 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000249380307 1124856069 /nfs/dbraw/zinc/85/60/69/1124856069.db2.gz QCVZUJFOSXVWKG-OLZOCXBDSA-N 2 1 351.288 4.188 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000249380307 1124856077 /nfs/dbraw/zinc/85/60/77/1124856077.db2.gz QCVZUJFOSXVWKG-OLZOCXBDSA-N 2 1 351.288 4.188 20 0 FIADMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089595303 1124916625 /nfs/dbraw/zinc/91/66/25/1124916625.db2.gz JGPPAJHGWYDTTA-LEWJYISDSA-N 2 1 360.517 4.087 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2ccccc2)o1 ZINC000090522824 1125000228 /nfs/dbraw/zinc/00/02/28/1125000228.db2.gz MAUNSHVWGWNWHQ-YYWHXJBOSA-N 2 1 368.521 4.365 20 0 FIADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000091306469 1125063551 /nfs/dbraw/zinc/06/35/51/1125063551.db2.gz SUQBZSZEEJIRQY-GOSISDBHSA-N 2 1 359.341 4.127 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ccccc3)C(C)C)CC2)oc1C ZINC000091337347 1125065526 /nfs/dbraw/zinc/06/55/26/1125065526.db2.gz KPAKFPILZYDNES-QFIPXVFZSA-N 2 1 355.526 4.490 20 0 FIADMP COc1ccc([C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C(C)C)cc1 ZINC000091368010 1125068609 /nfs/dbraw/zinc/06/86/09/1125068609.db2.gz HEBUEKPUGXEHTQ-QFIPXVFZSA-N 2 1 368.525 4.058 20 0 FIADMP Cc1cc([C@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@@H]2c2cc(C)no2)on1 ZINC000077265786 1125162108 /nfs/dbraw/zinc/16/21/08/1125162108.db2.gz ZYUXUMCISUTDQP-RTBURBONSA-N 2 1 372.513 4.424 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619406 1125204880 /nfs/dbraw/zinc/20/48/80/1125204880.db2.gz AFBCYNRVSNONKR-HNAYVOBHSA-N 2 1 369.896 4.261 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643739 1125438681 /nfs/dbraw/zinc/43/86/81/1125438681.db2.gz INSGGPVNAFWPMT-UNMCSNQZSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643739 1125438683 /nfs/dbraw/zinc/43/86/83/1125438683.db2.gz INSGGPVNAFWPMT-UNMCSNQZSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643739 1125438687 /nfs/dbraw/zinc/43/86/87/1125438687.db2.gz INSGGPVNAFWPMT-UNMCSNQZSA-N 2 1 357.501 4.189 20 0 FIADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)O[C@H](C)C2 ZINC000065976537 1125439458 /nfs/dbraw/zinc/43/94/58/1125439458.db2.gz IDYBOUYGNOTQHM-QGZVFWFLSA-N 2 1 368.521 4.149 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563973 1125439486 /nfs/dbraw/zinc/43/94/86/1125439486.db2.gz WXZGQFSVLLWJNT-LJQANCHMSA-N 2 1 358.917 4.180 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563973 1125439488 /nfs/dbraw/zinc/43/94/88/1125439488.db2.gz WXZGQFSVLLWJNT-LJQANCHMSA-N 2 1 358.917 4.180 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000062426850 567951999 /nfs/dbraw/zinc/95/19/99/567951999.db2.gz GHPZMCVXBDPHKX-IBGZPJMESA-N 2 1 356.485 4.225 20 0 FIADMP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311524482 568026419 /nfs/dbraw/zinc/02/64/19/568026419.db2.gz QBRUVNXVZUWDLT-QFIPXVFZSA-N 2 1 352.522 4.477 20 0 FIADMP FC(F)(F)c1cccc(OCCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000521429135 568026837 /nfs/dbraw/zinc/02/68/37/568026837.db2.gz BZWWBOBCRBGBEE-UHFFFAOYSA-N 2 1 370.459 4.425 20 0 FIADMP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1c1cccnc1 ZINC000644835454 568030073 /nfs/dbraw/zinc/03/00/73/568030073.db2.gz CBVWHKHJTFBAOY-JOCHJYFZSA-N 2 1 365.521 4.139 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1c1cccnc1 ZINC000644835454 568030074 /nfs/dbraw/zinc/03/00/74/568030074.db2.gz CBVWHKHJTFBAOY-JOCHJYFZSA-N 2 1 365.521 4.139 20 0 FIADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C(C)(C)C ZINC000604770669 568363021 /nfs/dbraw/zinc/36/30/21/568363021.db2.gz ATDFOODUTCUQLL-LJQANCHMSA-N 2 1 362.949 4.041 20 0 FIADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc2ccccc21 ZINC000604774379 568364253 /nfs/dbraw/zinc/36/42/53/568364253.db2.gz UIWVJTPSDGWOHX-OXJNMPFZSA-N 2 1 355.526 4.123 20 0 FIADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc2ccccc21 ZINC000604774381 568364393 /nfs/dbraw/zinc/36/43/93/568364393.db2.gz UIWVJTPSDGWOHX-UZLBHIALSA-N 2 1 355.526 4.123 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626535 719049621 /nfs/dbraw/zinc/04/96/21/719049621.db2.gz SFSRJCSAZXRSOW-GHTZIAJQSA-N 2 1 355.913 4.049 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626535 719049625 /nfs/dbraw/zinc/04/96/25/719049625.db2.gz SFSRJCSAZXRSOW-GHTZIAJQSA-N 2 1 355.913 4.049 20 0 FIADMP Cc1cccc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164856789 721012542 /nfs/dbraw/zinc/01/25/42/721012542.db2.gz BXNLDPNKXSVSFY-KRWDZBQOSA-N 2 1 363.509 4.161 20 0 FIADMP Cc1cccc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164856789 721012550 /nfs/dbraw/zinc/01/25/50/721012550.db2.gz BXNLDPNKXSVSFY-KRWDZBQOSA-N 2 1 363.509 4.161 20 0 FIADMP Cc1cccc2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164958030 722023517 /nfs/dbraw/zinc/02/35/17/722023517.db2.gz DMRSIHSXEFTAER-UHFFFAOYSA-N 2 1 372.516 4.431 20 0 FIADMP Cc1cccc2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164958030 722023521 /nfs/dbraw/zinc/02/35/21/722023521.db2.gz DMRSIHSXEFTAER-UHFFFAOYSA-N 2 1 372.516 4.431 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000093643921 1125470425 /nfs/dbraw/zinc/47/04/25/1125470425.db2.gz JFEGPQDQPHLTKO-MLGOLLRUSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000093643921 1125470426 /nfs/dbraw/zinc/47/04/26/1125470426.db2.gz JFEGPQDQPHLTKO-MLGOLLRUSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643921 1125470427 /nfs/dbraw/zinc/47/04/27/1125470427.db2.gz JFEGPQDQPHLTKO-MLGOLLRUSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643921 1125470431 /nfs/dbraw/zinc/47/04/31/1125470431.db2.gz JFEGPQDQPHLTKO-MLGOLLRUSA-N 2 1 355.309 4.184 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643911 1125470745 /nfs/dbraw/zinc/47/07/45/1125470745.db2.gz PIOWPXBIPWSJRH-DENIHFKCSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643911 1125470761 /nfs/dbraw/zinc/47/07/61/1125470761.db2.gz PIOWPXBIPWSJRH-DENIHFKCSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643911 1125470765 /nfs/dbraw/zinc/47/07/65/1125470765.db2.gz PIOWPXBIPWSJRH-DENIHFKCSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643911 1125470769 /nfs/dbraw/zinc/47/07/69/1125470769.db2.gz PIOWPXBIPWSJRH-DENIHFKCSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000643546912 1079671745 /nfs/dbraw/zinc/67/17/45/1079671745.db2.gz WTEUMJHQEUMOAH-PKOBYXMFSA-N 2 1 352.526 4.123 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000643546909 1079672032 /nfs/dbraw/zinc/67/20/32/1079672032.db2.gz WTEUMJHQEUMOAH-HKUYNNGSSA-N 2 1 352.526 4.123 20 0 FIADMP COc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ccc(F)cc2)cc1 ZINC000643548407 1079680346 /nfs/dbraw/zinc/68/03/46/1079680346.db2.gz OWUFOYKKXVJESX-CTNGQTDRSA-N 2 1 354.469 4.188 20 0 FIADMP CCC(CC)[N@@H+](C[C@H]1CCCN(C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614979 1080016478 /nfs/dbraw/zinc/01/64/78/1080016478.db2.gz GJJZRYNJGZMXSN-QFIPXVFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614979 1080016487 /nfs/dbraw/zinc/01/64/87/1080016487.db2.gz GJJZRYNJGZMXSN-QFIPXVFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614979 1080016494 /nfs/dbraw/zinc/01/64/94/1080016494.db2.gz GJJZRYNJGZMXSN-QFIPXVFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614979 1080016501 /nfs/dbraw/zinc/01/65/01/1080016501.db2.gz GJJZRYNJGZMXSN-QFIPXVFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614979 1080016508 /nfs/dbraw/zinc/01/65/08/1080016508.db2.gz GJJZRYNJGZMXSN-QFIPXVFZSA-N 2 1 371.613 4.483 20 0 FIADMP C[C@@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)OCc1ccccc1 ZINC001208701994 1080090539 /nfs/dbraw/zinc/09/05/39/1080090539.db2.gz GGNHWGPNQKXSMR-URXFXBBRSA-N 2 1 364.533 4.190 20 0 FIADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)OCc1ccccc1 ZINC001208701994 1080090550 /nfs/dbraw/zinc/09/05/50/1080090550.db2.gz GGNHWGPNQKXSMR-URXFXBBRSA-N 2 1 364.533 4.190 20 0 FIADMP C[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OCc1ccccc1 ZINC001208701994 1080090561 /nfs/dbraw/zinc/09/05/61/1080090561.db2.gz GGNHWGPNQKXSMR-URXFXBBRSA-N 2 1 364.533 4.190 20 0 FIADMP CC[NH+](CC)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000180156246 1080462082 /nfs/dbraw/zinc/46/20/82/1080462082.db2.gz VHNJLZXGSYJJOS-LJQANCHMSA-N 2 1 371.491 4.076 20 0 FIADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180467449 1080501977 /nfs/dbraw/zinc/50/19/77/1080501977.db2.gz HNHVQMAEGIZBKO-QFIPXVFZSA-N 2 1 371.956 4.047 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000249767962 1080556969 /nfs/dbraw/zinc/55/69/69/1080556969.db2.gz BDPOPEPRHMRVBR-BPAFIMBUSA-N 2 1 373.541 4.483 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000249767962 1080556978 /nfs/dbraw/zinc/55/69/78/1080556978.db2.gz BDPOPEPRHMRVBR-BPAFIMBUSA-N 2 1 373.541 4.483 20 0 FIADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)ccc1OCc1ccccc1 ZINC000120783265 1080652027 /nfs/dbraw/zinc/65/20/27/1080652027.db2.gz KJLKBTJWAJJFPH-OAQYLSRUSA-N 2 1 368.521 4.096 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826049 1080941319 /nfs/dbraw/zinc/94/13/19/1080941319.db2.gz MVBYCJQOGOUMRR-ZMUKGBGYSA-N 2 1 364.533 4.264 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC001648802446 1080951716 /nfs/dbraw/zinc/95/17/16/1080951716.db2.gz IKKIRECPMLCJOU-UHFFFAOYSA-N 2 1 362.464 4.461 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237539831 1080974097 /nfs/dbraw/zinc/97/40/97/1080974097.db2.gz JCGOLNRAIJXZIA-LPHOPBHVSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655704313 1081125500 /nfs/dbraw/zinc/12/55/00/1081125500.db2.gz AICDSLSVWJBDEP-RDTXWAMCSA-N 2 1 371.352 4.157 20 0 FIADMP CCCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000655709181 1081129279 /nfs/dbraw/zinc/12/92/79/1081129279.db2.gz UNAGIVJDNZXWEM-YADHBBJMSA-N 2 1 360.542 4.160 20 0 FIADMP COc1ccccc1[C@@H](CC(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655718460 1081137435 /nfs/dbraw/zinc/13/74/35/1081137435.db2.gz JYHAXSFNKVQYCD-PZJWPPBQSA-N 2 1 360.542 4.015 20 0 FIADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1OC ZINC001648813877 1081215405 /nfs/dbraw/zinc/21/54/05/1081215405.db2.gz DFGABBUEQHKAQX-HOTGVXAUSA-N 2 1 368.949 4.205 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC4(CCCC4)O2)C3)cc1 ZINC000655853728 1081265694 /nfs/dbraw/zinc/26/56/94/1081265694.db2.gz YBNKJZLNIKMXEM-LRSLUSHPSA-N 2 1 354.538 4.263 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CCCc1c[nH+]cn1C)[C@H](c1ccccc1)C2 ZINC000579968474 1081293420 /nfs/dbraw/zinc/29/34/20/1081293420.db2.gz ASYWDECPZZJQDU-QHCPKHFHSA-N 2 1 361.489 4.161 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CCCc1c[nH+]cn1C)[C@H](c1ccccc1)C2 ZINC000579968474 1081293425 /nfs/dbraw/zinc/29/34/25/1081293425.db2.gz ASYWDECPZZJQDU-QHCPKHFHSA-N 2 1 361.489 4.161 20 0 FIADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000579986266 1081370956 /nfs/dbraw/zinc/37/09/56/1081370956.db2.gz XNFHXIZNXJDNHG-OHCFRWENSA-N 2 1 365.565 4.411 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccc4cnccc4c3)C2)c1 ZINC000683767782 1081523866 /nfs/dbraw/zinc/52/38/66/1081523866.db2.gz RCVINEYCAUCNRB-SFHVURJKSA-N 2 1 351.519 4.298 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccc4cnccc4c3)C2)c1 ZINC000683767782 1081523867 /nfs/dbraw/zinc/52/38/67/1081523867.db2.gz RCVINEYCAUCNRB-SFHVURJKSA-N 2 1 351.519 4.298 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000125134368 1081905705 /nfs/dbraw/zinc/90/57/05/1081905705.db2.gz PBKJIHWZQQIARU-HXUWFJFHSA-N 2 1 363.549 4.471 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000125134093 1081906129 /nfs/dbraw/zinc/90/61/29/1081906129.db2.gz PBKJIHWZQQIARU-FQEVSTJZSA-N 2 1 363.549 4.471 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000536865333 1081951316 /nfs/dbraw/zinc/95/13/16/1081951316.db2.gz QOSCRBJBFGHCES-SIKLNZKXSA-N 2 1 352.522 4.128 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000536865333 1081951317 /nfs/dbraw/zinc/95/13/17/1081951317.db2.gz QOSCRBJBFGHCES-SIKLNZKXSA-N 2 1 352.522 4.128 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000510331443 1082004171 /nfs/dbraw/zinc/00/41/71/1082004171.db2.gz DQPAUBMFXYUCOX-SFHVURJKSA-N 2 1 368.525 4.258 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c1 ZINC000580900110 1082211559 /nfs/dbraw/zinc/21/15/59/1082211559.db2.gz KBVXSOJBIGZOFZ-UHFFFAOYSA-N 2 1 362.521 4.137 20 0 FIADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOCC2CCCC2)cc1 ZINC000656404941 1082331370 /nfs/dbraw/zinc/33/13/70/1082331370.db2.gz HIYFBLANNAOSJU-KEZOAJOQSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCCC2)cc1 ZINC000656404941 1082331377 /nfs/dbraw/zinc/33/13/77/1082331377.db2.gz HIYFBLANNAOSJU-KEZOAJOQSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCCC2)cc1 ZINC000656404941 1082331383 /nfs/dbraw/zinc/33/13/83/1082331383.db2.gz HIYFBLANNAOSJU-KEZOAJOQSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCOCC2CCCC2)cc1 ZINC000656404946 1082331510 /nfs/dbraw/zinc/33/15/10/1082331510.db2.gz HIYFBLANNAOSJU-XQUALCHDSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCCC2)cc1 ZINC000656404946 1082331521 /nfs/dbraw/zinc/33/15/21/1082331521.db2.gz HIYFBLANNAOSJU-XQUALCHDSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCOCC2CCCC2)cc1 ZINC000656404946 1082331526 /nfs/dbraw/zinc/33/15/26/1082331526.db2.gz HIYFBLANNAOSJU-XQUALCHDSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCC2CCOCC2)cc1 ZINC000656401783 1082332984 /nfs/dbraw/zinc/33/29/84/1082332984.db2.gz JBKMPKFAUYAPGF-KEZOAJOQSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCC2CCOCC2)cc1 ZINC000656401783 1082332991 /nfs/dbraw/zinc/33/29/91/1082332991.db2.gz JBKMPKFAUYAPGF-KEZOAJOQSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCC2CCOCC2)cc1 ZINC000656401783 1082332999 /nfs/dbraw/zinc/33/29/99/1082332999.db2.gz JBKMPKFAUYAPGF-KEZOAJOQSA-N 2 1 368.565 4.036 20 0 FIADMP CC(C)(C)c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000581160604 1082346660 /nfs/dbraw/zinc/34/66/60/1082346660.db2.gz NCUMTYYXMDLJCF-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP CC(C)(C)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000581160604 1082346670 /nfs/dbraw/zinc/34/66/70/1082346670.db2.gz NCUMTYYXMDLJCF-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000393736052 1082484391 /nfs/dbraw/zinc/48/43/91/1082484391.db2.gz BNSHMXNFNOMVEX-IBGZPJMESA-N 2 1 373.338 4.451 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000656501824 1082500642 /nfs/dbraw/zinc/50/06/42/1082500642.db2.gz DMZFITULEOUPDV-UHFFFAOYSA-N 2 1 361.489 4.085 20 0 FIADMP CCCC[C@@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581384493 1082506848 /nfs/dbraw/zinc/50/68/48/1082506848.db2.gz YQJXNHNRMSTLIS-FCHUYYIVSA-N 2 1 358.570 4.474 20 0 FIADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000581399521 1082526855 /nfs/dbraw/zinc/52/68/55/1082526855.db2.gz RJKPFHRNCCCRQC-GOSISDBHSA-N 2 1 355.551 4.412 20 0 FIADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000581399521 1082526858 /nfs/dbraw/zinc/52/68/58/1082526858.db2.gz RJKPFHRNCCCRQC-GOSISDBHSA-N 2 1 355.551 4.412 20 0 FIADMP C[C@@H](N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cnccc1N ZINC000581878665 1082951885 /nfs/dbraw/zinc/95/18/85/1082951885.db2.gz XKZYVJFRALDDPS-SJKOYZFVSA-N 2 1 368.481 4.485 20 0 FIADMP OCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197969 1083011465 /nfs/dbraw/zinc/01/14/65/1083011465.db2.gz XCNGBIWJDCIXFU-VXKWHMMOSA-N 2 1 356.554 4.105 20 0 FIADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197969 1083011470 /nfs/dbraw/zinc/01/14/70/1083011470.db2.gz XCNGBIWJDCIXFU-VXKWHMMOSA-N 2 1 356.554 4.105 20 0 FIADMP OCC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197968 1083011866 /nfs/dbraw/zinc/01/18/66/1083011866.db2.gz XCNGBIWJDCIXFU-FGZHOGPDSA-N 2 1 356.554 4.105 20 0 FIADMP OCC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197968 1083011871 /nfs/dbraw/zinc/01/18/71/1083011871.db2.gz XCNGBIWJDCIXFU-FGZHOGPDSA-N 2 1 356.554 4.105 20 0 FIADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430930255 1083240767 /nfs/dbraw/zinc/24/07/67/1083240767.db2.gz XUWSIEPSVHLUAB-SFHVURJKSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930255 1083240769 /nfs/dbraw/zinc/24/07/69/1083240769.db2.gz XUWSIEPSVHLUAB-SFHVURJKSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930255 1083240771 /nfs/dbraw/zinc/24/07/71/1083240771.db2.gz XUWSIEPSVHLUAB-SFHVURJKSA-N 3 1 361.549 4.015 20 0 FIADMP CC(C)([NH3+])c1noc(C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)n1 ZINC000431078280 1083329597 /nfs/dbraw/zinc/32/95/97/1083329597.db2.gz FNKBLEGLICSCNT-UHFFFAOYSA-N 2 1 364.493 4.361 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000658237984 1083368022 /nfs/dbraw/zinc/36/80/22/1083368022.db2.gz ONLXLQWAILZHGE-YABDQXBESA-N 2 1 350.506 4.412 20 0 FIADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000658265912 1083379663 /nfs/dbraw/zinc/37/96/63/1083379663.db2.gz CSQFIXXCEOQSTH-UHFFFAOYSA-N 2 1 360.590 4.456 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)[C@H]1c1cccs1 ZINC000421832410 1083433090 /nfs/dbraw/zinc/43/30/90/1083433090.db2.gz MLYZTLQCCDOXLW-OPYAIIAOSA-N 2 1 355.551 4.063 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)[C@H]1c1cccs1 ZINC000421832410 1083433095 /nfs/dbraw/zinc/43/30/95/1083433095.db2.gz MLYZTLQCCDOXLW-OPYAIIAOSA-N 2 1 355.551 4.063 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCc3cccnc3CC2)C[N@H+]1Cc1ccccc1 ZINC000421836287 1083433540 /nfs/dbraw/zinc/43/35/40/1083433540.db2.gz ODSQKONXIQMAAG-UNWVZKJWSA-N 2 1 363.549 4.219 20 0 FIADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3c(O)cccc23)[C@H]1c1cccs1 ZINC000684575267 1083457640 /nfs/dbraw/zinc/45/76/40/1083457640.db2.gz GHFPTTIELDHMRQ-VLIAUNLRSA-N 2 1 353.491 4.497 20 0 FIADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3c(O)cccc23)[C@H]1c1cccs1 ZINC000684575269 1083457666 /nfs/dbraw/zinc/45/76/66/1083457666.db2.gz GHFPTTIELDHMRQ-XOBRGWDASA-N 2 1 353.491 4.497 20 0 FIADMP C[C@H]([NH2+]CCc1ccc2ccccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483250 1083459712 /nfs/dbraw/zinc/45/97/12/1083459712.db2.gz LDZMCXSEAWMRSX-UGKGYDQZSA-N 2 1 359.517 4.278 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548483509 1083468666 /nfs/dbraw/zinc/46/86/66/1083468666.db2.gz ATFUGWZMQXYKNF-NQIIRXRSSA-N 2 1 365.521 4.035 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000510959373 1083537099 /nfs/dbraw/zinc/53/70/99/1083537099.db2.gz OMMNIAJJRIXWJU-OAHLLOKOSA-N 2 1 354.523 4.288 20 0 FIADMP CCOC(=O)CCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535674389 1083570832 /nfs/dbraw/zinc/57/08/32/1083570832.db2.gz DFARYABULLYYJE-UHFFFAOYSA-N 2 1 372.553 4.098 20 0 FIADMP Cc1cn2c(n1)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000375842753 1083675734 /nfs/dbraw/zinc/67/57/34/1083675734.db2.gz WQRBQUGVPHZGEW-ITAUSPCMSA-N 2 1 366.553 4.102 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)cc1 ZINC000684614359 1083781144 /nfs/dbraw/zinc/78/11/44/1083781144.db2.gz VSGPYDSSUPZJDS-JOCHJYFZSA-N 2 1 364.533 4.056 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000236601678 1083958193 /nfs/dbraw/zinc/95/81/93/1083958193.db2.gz WNWGJLYMPJYYTR-UHFFFAOYSA-N 2 1 374.960 4.164 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000236829091 1083992786 /nfs/dbraw/zinc/99/27/86/1083992786.db2.gz KGIWFIINURLBBM-HKUYNNGSSA-N 2 1 368.525 4.019 20 0 FIADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511020374 1084205108 /nfs/dbraw/zinc/20/51/08/1084205108.db2.gz XOBAAASKWNGHEQ-HKUYNNGSSA-N 2 1 358.476 4.398 20 0 FIADMP C[C@@H]1C[C@H](N(C)Cc2sccc2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000892104699 1084298564 /nfs/dbraw/zinc/29/85/64/1084298564.db2.gz DPNJHZGKJYVWFZ-ZIAGYGMSSA-N 2 1 353.532 4.010 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(-c2cnn(C)c2)c1 ZINC000548984371 1084327440 /nfs/dbraw/zinc/32/74/40/1084327440.db2.gz LBNCMPGYIFPILZ-IBGZPJMESA-N 2 1 354.542 4.140 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000536476073 1084379796 /nfs/dbraw/zinc/37/97/96/1084379796.db2.gz OQPVBQGXKXYGJI-UHFFFAOYSA-N 2 1 362.315 4.403 20 0 FIADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000657312353 1084451443 /nfs/dbraw/zinc/45/14/43/1084451443.db2.gz GXMZSRFSWCDTGV-RTBURBONSA-N 2 1 354.542 4.061 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657320280 1084541282 /nfs/dbraw/zinc/54/12/82/1084541282.db2.gz CDHIFTAPIFSZGP-SFHVURJKSA-N 2 1 361.493 4.254 20 0 FIADMP c1csc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)c1 ZINC000657363956 1084744272 /nfs/dbraw/zinc/74/42/72/1084744272.db2.gz FTFGZUXEXWMPEL-SFHVURJKSA-N 2 1 356.535 4.006 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000414183698 1084760611 /nfs/dbraw/zinc/76/06/11/1084760611.db2.gz OAXOWFHDWUTSNH-QGWWYQLQSA-N 2 1 368.924 4.062 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000613491175 1084820056 /nfs/dbraw/zinc/82/00/56/1084820056.db2.gz JAQCBOVQDJHGIZ-UHFFFAOYSA-N 2 1 359.489 4.425 20 0 FIADMP Fc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000657452236 1085100686 /nfs/dbraw/zinc/10/06/86/1085100686.db2.gz BTQMVTJXWOVRHW-MRXNPFEDSA-N 2 1 364.411 4.039 20 0 FIADMP Fc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000657452236 1085100689 /nfs/dbraw/zinc/10/06/89/1085100689.db2.gz BTQMVTJXWOVRHW-MRXNPFEDSA-N 2 1 364.411 4.039 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167589959 1085247395 /nfs/dbraw/zinc/24/73/95/1085247395.db2.gz KZHNGQVLPGPAHZ-OALUTQOASA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167589959 1085247408 /nfs/dbraw/zinc/24/74/08/1085247408.db2.gz KZHNGQVLPGPAHZ-OALUTQOASA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167589959 1085247412 /nfs/dbraw/zinc/24/74/12/1085247412.db2.gz KZHNGQVLPGPAHZ-OALUTQOASA-N 2 1 369.594 4.266 20 0 FIADMP Cn1cnc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000660765239 1085260130 /nfs/dbraw/zinc/26/01/30/1085260130.db2.gz UWMDBXJIEWILKE-HSZRJFAPSA-N 2 1 366.553 4.077 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000582693790 1085398094 /nfs/dbraw/zinc/39/80/94/1085398094.db2.gz XZICPOLVZCWYJG-UHFFFAOYSA-N 2 1 351.498 4.056 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000582693790 1085398163 /nfs/dbraw/zinc/39/81/63/1085398163.db2.gz XZICPOLVZCWYJG-UHFFFAOYSA-N 2 1 351.498 4.056 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237478710 1085662644 /nfs/dbraw/zinc/66/26/44/1085662644.db2.gz ISWTVRMLBVHAOU-KGVIQGDOSA-N 2 1 365.521 4.193 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000657595932 1085664333 /nfs/dbraw/zinc/66/43/33/1085664333.db2.gz SSFMWTRWLWSYKY-VWLOTQADSA-N 2 1 372.512 4.210 20 0 FIADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000582809267 1085746357 /nfs/dbraw/zinc/74/63/57/1085746357.db2.gz MTIJHKOMTGMNBT-CQSZACIVSA-N 2 1 365.880 4.055 20 0 FIADMP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090846583 1085898350 /nfs/dbraw/zinc/89/83/50/1085898350.db2.gz BUPCDTQZWGNQOS-WOJBJXKFSA-N 2 1 366.505 4.246 20 0 FIADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347989 1085919099 /nfs/dbraw/zinc/91/90/99/1085919099.db2.gz QTEIBWOQEBOWEA-OYUZRVEBSA-N 2 1 357.325 4.273 20 0 FIADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347827 1085919455 /nfs/dbraw/zinc/91/94/55/1085919455.db2.gz MVCNFROEBZHNDE-ZFHGCVPZSA-N 2 1 357.325 4.273 20 0 FIADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2csc(Cl)c2Cl)cc1 ZINC000432238231 1085928348 /nfs/dbraw/zinc/92/83/48/1085928348.db2.gz ONUQAHBRFUJDPQ-UHFFFAOYSA-N 2 1 359.322 4.285 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174402 1086351573 /nfs/dbraw/zinc/35/15/73/1086351573.db2.gz AWZXJHNAOQRLAK-QUJHGWJTSA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174402 1086351584 /nfs/dbraw/zinc/35/15/84/1086351584.db2.gz AWZXJHNAOQRLAK-QUJHGWJTSA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174402 1086351596 /nfs/dbraw/zinc/35/15/96/1086351596.db2.gz AWZXJHNAOQRLAK-QUJHGWJTSA-N 2 1 352.469 4.353 20 0 FIADMP Clc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662296003 1086400779 /nfs/dbraw/zinc/40/07/79/1086400779.db2.gz JVAUOHVDEAGNKI-KRWDZBQOSA-N 2 1 359.901 4.207 20 0 FIADMP CC(C)C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000647282781 1086484097 /nfs/dbraw/zinc/48/40/97/1086484097.db2.gz TXJCGTZBEUGUMB-QHCPKHFHSA-N 2 1 351.538 4.466 20 0 FIADMP Brc1cc2c(s1)CC[C@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463667 1086564078 /nfs/dbraw/zinc/56/40/78/1086564078.db2.gz AXVDYNMNLZBECC-DZGCQCFKSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463667 1086564083 /nfs/dbraw/zinc/56/40/83/1086564083.db2.gz AXVDYNMNLZBECC-DZGCQCFKSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463667 1086564090 /nfs/dbraw/zinc/56/40/90/1086564090.db2.gz AXVDYNMNLZBECC-DZGCQCFKSA-N 2 1 369.372 4.210 20 0 FIADMP COC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467919 1086567278 /nfs/dbraw/zinc/56/72/78/1086567278.db2.gz IMPXYFNTQUSDCV-APWZRJJASA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467919 1086567284 /nfs/dbraw/zinc/56/72/84/1086567284.db2.gz IMPXYFNTQUSDCV-APWZRJJASA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467919 1086567289 /nfs/dbraw/zinc/56/72/89/1086567289.db2.gz IMPXYFNTQUSDCV-APWZRJJASA-N 2 1 370.459 4.105 20 0 FIADMP c1csc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467042 1086568553 /nfs/dbraw/zinc/56/85/53/1086568553.db2.gz ZFCATSARAAPNIX-UXHICEINSA-N 2 1 355.551 4.139 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000511995877 1086608740 /nfs/dbraw/zinc/60/87/40/1086608740.db2.gz DECGYAQOEBJIGB-UHFFFAOYSA-N 2 1 368.521 4.226 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001167827192 1086620845 /nfs/dbraw/zinc/62/08/45/1086620845.db2.gz UQHJDEKRGJYCBQ-FXAWDEMLSA-N 2 1 350.572 4.296 20 0 FIADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001648933321 1086631128 /nfs/dbraw/zinc/63/11/28/1086631128.db2.gz QHXTYRKGUCPSQC-UHFFFAOYSA-N 2 1 361.530 4.388 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(Sc3ccccc3)CCCC2)s1 ZINC000512014801 1086648062 /nfs/dbraw/zinc/64/80/62/1086648062.db2.gz MNKOGQQFMIRCTE-UHFFFAOYSA-N 2 1 361.580 4.399 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833377 1086664751 /nfs/dbraw/zinc/66/47/51/1086664751.db2.gz AMOSSNKZFOOGFR-RTBURBONSA-N 2 1 369.594 4.218 20 0 FIADMP C[C@@H](COc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941298 1086723054 /nfs/dbraw/zinc/72/30/54/1086723054.db2.gz TULDZLGIEAROIT-PZJWPPBQSA-N 2 1 350.506 4.241 20 0 FIADMP C[C@@H](COc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941298 1086723064 /nfs/dbraw/zinc/72/30/64/1086723064.db2.gz TULDZLGIEAROIT-PZJWPPBQSA-N 2 1 350.506 4.241 20 0 FIADMP COc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432407067 1086729079 /nfs/dbraw/zinc/72/90/79/1086729079.db2.gz JYTXBMDEGLXHNT-PGRDOPGGSA-N 2 1 360.542 4.017 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413289 1086736622 /nfs/dbraw/zinc/73/66/22/1086736622.db2.gz FXNMVPHPDYMPAZ-SJORKVTESA-N 2 1 373.566 4.270 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413289 1086736625 /nfs/dbraw/zinc/73/66/25/1086736625.db2.gz FXNMVPHPDYMPAZ-SJORKVTESA-N 2 1 373.566 4.270 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC001167842374 1086745074 /nfs/dbraw/zinc/74/50/74/1086745074.db2.gz WPVYFNVGUUHCDZ-GMAHTHKFSA-N 2 1 357.586 4.237 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423151 1086751274 /nfs/dbraw/zinc/75/12/74/1086751274.db2.gz IMQLIEFOSWEEID-NHCUHLMSSA-N 2 1 366.549 4.298 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423151 1086751287 /nfs/dbraw/zinc/75/12/87/1086751287.db2.gz IMQLIEFOSWEEID-NHCUHLMSSA-N 2 1 366.549 4.298 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001167842534 1086754432 /nfs/dbraw/zinc/75/44/32/1086754432.db2.gz YJMKLDZTSYWLCP-ILWGZMRPSA-N 2 1 374.569 4.308 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001167842561 1086754655 /nfs/dbraw/zinc/75/46/55/1086754655.db2.gz YKLNLLKBCZTUGG-SESVDKBCSA-N 2 1 360.542 4.123 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)C1 ZINC000650706746 1086757539 /nfs/dbraw/zinc/75/75/39/1086757539.db2.gz RRMFKVLRAHMYEY-POAQFYNOSA-N 2 1 374.525 4.273 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001167842927 1086759549 /nfs/dbraw/zinc/75/95/49/1086759549.db2.gz ZRXBEUOXMBUORM-DXVXXHEXSA-N 2 1 373.629 4.392 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3nsc4ccccc34)CC2)cc1 ZINC000657770478 1086785169 /nfs/dbraw/zinc/78/51/69/1086785169.db2.gz NUQPPZUFKQTDGO-UHFFFAOYSA-N 2 1 365.546 4.136 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771554 1086797265 /nfs/dbraw/zinc/79/72/65/1086797265.db2.gz CXZHKLKPOZPGPO-BDTNDASRSA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccc(NCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512132286 1086802467 /nfs/dbraw/zinc/80/24/67/1086802467.db2.gz RLPPORBUBLGEMV-MRXNPFEDSA-N 2 1 358.555 4.049 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512132286 1086802485 /nfs/dbraw/zinc/80/24/85/1086802485.db2.gz RLPPORBUBLGEMV-MRXNPFEDSA-N 2 1 358.555 4.049 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245607544 1086803750 /nfs/dbraw/zinc/80/37/50/1086803750.db2.gz NNOHKUIPKGRMID-QRFRQXIXSA-N 2 1 368.525 4.225 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772120 1086814808 /nfs/dbraw/zinc/81/48/08/1086814808.db2.gz ROXDOIQNXJVBMX-FQEVSTJZSA-N 2 1 366.553 4.099 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000650722532 1086819420 /nfs/dbraw/zinc/81/94/20/1086819420.db2.gz WBTIGQRMYLKIHT-LSTHTHJFSA-N 2 1 374.525 4.415 20 0 FIADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000151140564 1086957151 /nfs/dbraw/zinc/95/71/51/1086957151.db2.gz GCFHDWTXOFXMIM-HXUWFJFHSA-N 2 1 371.569 4.300 20 0 FIADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000151140496 1086957425 /nfs/dbraw/zinc/95/74/25/1086957425.db2.gz GCFHDWTXOFXMIM-FQEVSTJZSA-N 2 1 371.569 4.300 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000151314814 1087087064 /nfs/dbraw/zinc/08/70/64/1087087064.db2.gz CPLXLCVSNIOQDV-UHFFFAOYSA-N 2 1 365.496 4.146 20 0 FIADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000090173163 1087410540 /nfs/dbraw/zinc/41/05/40/1087410540.db2.gz BRVKGIDHMSVKGY-FQEVSTJZSA-N 2 1 350.934 4.414 20 0 FIADMP Cc1ccccc1[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000091265977 1087426561 /nfs/dbraw/zinc/42/65/61/1087426561.db2.gz FBCHRDXIIGJYMK-HSZRJFAPSA-N 2 1 350.506 4.068 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867455 1087447176 /nfs/dbraw/zinc/44/71/76/1087447176.db2.gz MHNPABIXLHJPIJ-AEFFLSMTSA-N 2 1 359.464 4.234 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867455 1087447180 /nfs/dbraw/zinc/44/71/80/1087447180.db2.gz MHNPABIXLHJPIJ-AEFFLSMTSA-N 2 1 359.464 4.234 20 0 FIADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000511267745 1087529544 /nfs/dbraw/zinc/52/95/44/1087529544.db2.gz AEWMBBFSCROJAM-XMHGGMMESA-N 2 1 365.521 4.198 20 0 FIADMP C[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685425672 1087565476 /nfs/dbraw/zinc/56/54/76/1087565476.db2.gz UWVSWOSKRAWNSB-CUWPLCDZSA-N 2 1 354.542 4.008 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000708567391 1087586801 /nfs/dbraw/zinc/58/68/01/1087586801.db2.gz AYRDENNWAUIKEL-QTEQDKRBSA-N 2 1 366.549 4.374 20 0 FIADMP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062426804 1087599681 /nfs/dbraw/zinc/59/96/81/1087599681.db2.gz CKHASMDEQKVABT-JOCHJYFZSA-N 2 1 352.522 4.477 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000685655479 1087660224 /nfs/dbraw/zinc/66/02/24/1087660224.db2.gz RBSSEGSCPUNFKV-FPOVZHCZSA-N 2 1 364.533 4.227 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2noc4ccccc24)C3)cc1 ZINC000658064669 1087705537 /nfs/dbraw/zinc/70/55/37/1087705537.db2.gz FZCDLLMTKDWROW-ACDBMABISA-N 2 1 361.489 4.156 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CCC2)cc1 ZINC000658141949 1087734172 /nfs/dbraw/zinc/73/41/72/1087734172.db2.gz YCMFBMKFLKGGMI-ZEQRLZLVSA-N 2 1 364.533 4.193 20 0 FIADMP CCCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658141741 1087734342 /nfs/dbraw/zinc/73/43/42/1087734342.db2.gz UKWXQBOTAHKLDG-PKTZIBPZSA-N 2 1 352.522 4.274 20 0 FIADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139909 1087743385 /nfs/dbraw/zinc/74/33/85/1087743385.db2.gz NZXVBPPOEODDBD-XLIONFOSSA-N 2 1 364.489 4.159 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139907 1087743717 /nfs/dbraw/zinc/74/37/17/1087743717.db2.gz NZXVBPPOEODDBD-FXAWDEMLSA-N 2 1 364.489 4.159 20 0 FIADMP FC(F)[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163739 1087757387 /nfs/dbraw/zinc/75/73/87/1087757387.db2.gz AKDOYRSLTUYYBG-OAQYLSRUSA-N 2 1 373.491 4.150 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414342589 1087908469 /nfs/dbraw/zinc/90/84/69/1087908469.db2.gz XIYMKTHTQTZANH-UHFFFAOYSA-N 2 1 351.538 4.392 20 0 FIADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1Oc1cccnc1 ZINC000424372402 1087961657 /nfs/dbraw/zinc/96/16/57/1087961657.db2.gz FNOUXPVWBVFKAH-SFHVURJKSA-N 2 1 351.494 4.146 20 0 FIADMP Cc1cccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000057889726 1088048045 /nfs/dbraw/zinc/04/80/45/1088048045.db2.gz VWAAVJUSTYTKQI-UHFFFAOYSA-N 2 1 368.525 4.133 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000163257129 1088074901 /nfs/dbraw/zinc/07/49/01/1088074901.db2.gz FMBVZSDKGANKRW-MOXGXCLJSA-N 2 1 355.551 4.472 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000163257129 1088074916 /nfs/dbraw/zinc/07/49/16/1088074916.db2.gz FMBVZSDKGANKRW-MOXGXCLJSA-N 2 1 355.551 4.472 20 0 FIADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(C(F)(F)F)c1 ZINC001143478455 1088189385 /nfs/dbraw/zinc/18/93/85/1088189385.db2.gz DYZYNKSEGFNIHH-UHFFFAOYSA-N 2 1 358.448 4.266 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1)C(C)C ZINC000505349025 1088357245 /nfs/dbraw/zinc/35/72/45/1088357245.db2.gz BUSSVVCOWMLHBQ-UHFFFAOYSA-N 2 1 361.574 4.108 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000514089715 1088734641 /nfs/dbraw/zinc/73/46/41/1088734641.db2.gz RGAKZKJIKVMYEZ-SLFFLAALSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000514089715 1088734656 /nfs/dbraw/zinc/73/46/56/1088734656.db2.gz RGAKZKJIKVMYEZ-SLFFLAALSA-N 2 1 355.551 4.232 20 0 FIADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000514093589 1088739607 /nfs/dbraw/zinc/73/96/07/1088739607.db2.gz JTYISLIFZNNKKL-CVDCTZTESA-N 2 1 367.537 4.228 20 0 FIADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000514248770 1088944522 /nfs/dbraw/zinc/94/45/22/1088944522.db2.gz VOJSUKMCJHGUSZ-WRWLIDTKSA-N 2 1 350.934 4.270 20 0 FIADMP Clc1cccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434681704 1088951371 /nfs/dbraw/zinc/95/13/71/1088951371.db2.gz QYFCIIBHMGWMLT-UHFFFAOYSA-N 2 1 359.901 4.131 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)CC1 ZINC000415095979 1089152135 /nfs/dbraw/zinc/15/21/35/1089152135.db2.gz AEBMWSMYHXMXKI-LPIJFZEYSA-N 3 1 355.570 4.112 20 0 FIADMP CCOC[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235838 1089315233 /nfs/dbraw/zinc/31/52/33/1089315233.db2.gz OYWGTUJRHNWNGU-XMMBUWISSA-N 2 1 350.934 4.269 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Oc1ccc(Cl)cc1 ZINC000462744410 1089567928 /nfs/dbraw/zinc/56/79/28/1089567928.db2.gz GNDUKMHBRSSFLK-KRWDZBQOSA-N 2 1 358.913 4.362 20 0 FIADMP c1c2ccccc2sc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387478 1089593432 /nfs/dbraw/zinc/59/34/32/1089593432.db2.gz AIKVYDURPOEPSA-LJQANCHMSA-N 2 1 351.519 4.441 20 0 FIADMP c1c2ccccc2sc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387478 1089593441 /nfs/dbraw/zinc/59/34/41/1089593441.db2.gz AIKVYDURPOEPSA-LJQANCHMSA-N 2 1 351.519 4.441 20 0 FIADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435395790 1089602645 /nfs/dbraw/zinc/60/26/45/1089602645.db2.gz SBODGJKAKZVAEQ-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435395790 1089602654 /nfs/dbraw/zinc/60/26/54/1089602654.db2.gz SBODGJKAKZVAEQ-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001625891372 1089757738 /nfs/dbraw/zinc/75/77/38/1089757738.db2.gz HGGKQQIHKCNGEN-RXVVDRJESA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001625891372 1089757755 /nfs/dbraw/zinc/75/77/55/1089757755.db2.gz HGGKQQIHKCNGEN-RXVVDRJESA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001625891372 1089757768 /nfs/dbraw/zinc/75/77/68/1089757768.db2.gz HGGKQQIHKCNGEN-RXVVDRJESA-N 2 1 357.542 4.120 20 0 FIADMP CC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629937 1089817860 /nfs/dbraw/zinc/81/78/60/1089817860.db2.gz VUHWWVJXWXBTLX-HXUWFJFHSA-N 2 1 365.521 4.146 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000236809619 1089975507 /nfs/dbraw/zinc/97/55/07/1089975507.db2.gz AXRWWUJUPPKNLF-CYBMUJFWSA-N 2 1 355.309 4.091 20 0 FIADMP CC[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000511555976 1090396404 /nfs/dbraw/zinc/39/64/04/1090396404.db2.gz DUQUFJAXEHABQP-QFIPXVFZSA-N 2 1 373.585 4.085 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000390559315 1091252081 /nfs/dbraw/zinc/25/20/81/1091252081.db2.gz AHFRZXFAWKDHTJ-LUQQLXLSSA-N 2 1 362.517 4.468 20 0 FIADMP COCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677833 1091388817 /nfs/dbraw/zinc/38/88/17/1091388817.db2.gz UUMLTIOIWDQYSJ-JOCHJYFZSA-N 2 1 352.522 4.223 20 0 FIADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677833 1091388828 /nfs/dbraw/zinc/38/88/28/1091388828.db2.gz UUMLTIOIWDQYSJ-JOCHJYFZSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000390684158 1091398481 /nfs/dbraw/zinc/39/84/81/1091398481.db2.gz XDTIIZFCUOXCEY-OAQYLSRUSA-N 2 1 356.485 4.225 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000390684158 1091398495 /nfs/dbraw/zinc/39/84/95/1091398495.db2.gz XDTIIZFCUOXCEY-OAQYLSRUSA-N 2 1 356.485 4.225 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000311395651 1091418359 /nfs/dbraw/zinc/41/83/59/1091418359.db2.gz OVWADUDAWLKEAT-WMZHIEFXSA-N 2 1 352.522 4.128 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000512321789 1092036759 /nfs/dbraw/zinc/03/67/59/1092036759.db2.gz GSFMKCSWBYZQBO-HRCADAONSA-N 2 1 364.505 4.147 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000512321789 1092036770 /nfs/dbraw/zinc/03/67/70/1092036770.db2.gz GSFMKCSWBYZQBO-HRCADAONSA-N 2 1 364.505 4.147 20 0 FIADMP CSc1cc(Br)ccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000512379157 1092187605 /nfs/dbraw/zinc/18/76/05/1092187605.db2.gz DTMMSRNNMQEUIT-UHFFFAOYSA-N 2 1 366.328 4.274 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011718 1092207861 /nfs/dbraw/zinc/20/78/61/1092207861.db2.gz RNJYFLZXQLYKCK-RMFSNUHRSA-N 2 1 356.485 4.236 20 0 FIADMP CCCc1nc(C)c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236206 1092305118 /nfs/dbraw/zinc/30/51/18/1092305118.db2.gz GOZYFIWTOFWOEB-FXAWDEMLSA-N 2 1 355.526 4.420 20 0 FIADMP C[C@@H]1CC(NCc2cccc(C[NH+](C)C)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012414 1092336024 /nfs/dbraw/zinc/33/60/24/1092336024.db2.gz ZRCKQGVIRGEAFC-WOJBJXKFSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@@H]1CC([NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012414 1092336035 /nfs/dbraw/zinc/33/60/35/1092336035.db2.gz ZRCKQGVIRGEAFC-WOJBJXKFSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccccc2Br)C1 ZINC000520949773 1092376137 /nfs/dbraw/zinc/37/61/37/1092376137.db2.gz PZVLOTNAJKYSPM-IYBDPMFKSA-N 2 1 353.348 4.297 20 0 FIADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000520965591 1092389609 /nfs/dbraw/zinc/38/96/09/1092389609.db2.gz KISCMEQTCRCWBV-UHFFFAOYSA-N 2 1 368.452 4.316 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000432801824 1092424433 /nfs/dbraw/zinc/42/44/33/1092424433.db2.gz XYKJUUXLBCGONU-JOCHJYFZSA-N 2 1 367.537 4.194 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000432801824 1092424443 /nfs/dbraw/zinc/42/44/43/1092424443.db2.gz XYKJUUXLBCGONU-JOCHJYFZSA-N 2 1 367.537 4.194 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000236828960 1092427689 /nfs/dbraw/zinc/42/76/89/1092427689.db2.gz RCRBOGDGHRJLET-HXUWFJFHSA-N 2 1 362.477 4.083 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000432815226 1092487206 /nfs/dbraw/zinc/48/72/06/1092487206.db2.gz DOPXOQMUHPWUSK-OAQYLSRUSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000432815226 1092487216 /nfs/dbraw/zinc/48/72/16/1092487216.db2.gz DOPXOQMUHPWUSK-OAQYLSRUSA-N 2 1 356.485 4.321 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000474032052 1092536905 /nfs/dbraw/zinc/53/69/05/1092536905.db2.gz IJUKJUYFOCPWMS-MBWHEUGSSA-N 2 1 356.554 4.397 20 0 FIADMP C[C@@H]1CC([NH2+]C[C@@H](c2ccccc2)N(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014110 1092675137 /nfs/dbraw/zinc/67/51/37/1092675137.db2.gz KABPCMNFRVRFFP-REHUZNOOSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CCC(C(F)F)CC2)C[C@H](C)O1 ZINC000442789614 1092767650 /nfs/dbraw/zinc/76/76/50/1092767650.db2.gz YKLCNJZLBOSMCQ-HLVUACMISA-N 2 1 366.496 4.209 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000442788734 1092768060 /nfs/dbraw/zinc/76/80/60/1092768060.db2.gz XJORLHVYBXGJFJ-RLLQIKCJSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC[N@H+]1Cc1ccccc1 ZINC000442788734 1092768065 /nfs/dbraw/zinc/76/80/65/1092768065.db2.gz XJORLHVYBXGJFJ-RLLQIKCJSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[C@@H](N2C[C@H](CC[NH3+])c3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014920 1092901118 /nfs/dbraw/zinc/90/11/18/1092901118.db2.gz NHOCLRSBQCZDSY-MXNKGDRCSA-N 2 1 363.549 4.381 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000474039832 1092950989 /nfs/dbraw/zinc/95/09/89/1092950989.db2.gz TWOLZINXHHLXJL-SQDZQZBLSA-N 2 1 370.581 4.472 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015284 1092998064 /nfs/dbraw/zinc/99/80/64/1092998064.db2.gz QMDRBHSAFFVSEB-HKBOAZHASA-N 2 1 357.586 4.282 20 0 FIADMP c1cn(-c2csc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)c2)cn1 ZINC000544351859 1093036386 /nfs/dbraw/zinc/03/63/86/1093036386.db2.gz YKOOBYZTAOHWOL-GOSISDBHSA-N 2 1 358.555 4.022 20 0 FIADMP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512660447 1093096451 /nfs/dbraw/zinc/09/64/51/1093096451.db2.gz NGNBYEBUKUSXJH-YPAWHYETSA-N 2 1 358.570 4.066 20 0 FIADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000443415505 1093109726 /nfs/dbraw/zinc/10/97/26/1093109726.db2.gz IIJBZTVNVTZLLC-UHFFFAOYSA-N 2 1 351.416 4.202 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000474064654 1093177517 /nfs/dbraw/zinc/17/75/17/1093177517.db2.gz JQBXJZZURVAXPW-FUBOCBINSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000474064654 1093177521 /nfs/dbraw/zinc/17/75/21/1093177521.db2.gz JQBXJZZURVAXPW-FUBOCBINSA-N 2 1 356.554 4.224 20 0 FIADMP CO[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433128125 1093311065 /nfs/dbraw/zinc/31/10/65/1093311065.db2.gz KTYZPPAWKGELJD-QHCPKHFHSA-N 2 1 364.533 4.362 20 0 FIADMP COC[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001168022801 1093318375 /nfs/dbraw/zinc/31/83/75/1093318375.db2.gz BLRICSBQSUHDLI-YDLSIGKMSA-N 2 1 352.522 4.405 20 0 FIADMP COC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001168022801 1093318383 /nfs/dbraw/zinc/31/83/83/1093318383.db2.gz BLRICSBQSUHDLI-YDLSIGKMSA-N 2 1 352.522 4.405 20 0 FIADMP COC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001168022801 1093318393 /nfs/dbraw/zinc/31/83/93/1093318393.db2.gz BLRICSBQSUHDLI-YDLSIGKMSA-N 2 1 352.522 4.405 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032461 1093654926 /nfs/dbraw/zinc/65/49/26/1093654926.db2.gz GKSQEXZNSHZJBV-HATOLVCRSA-N 2 1 351.538 4.434 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000576399586 1093797160 /nfs/dbraw/zinc/79/71/60/1093797160.db2.gz PPRZQNOJAQCZOG-NPDDRXJXSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000576399586 1093797165 /nfs/dbraw/zinc/79/71/65/1093797165.db2.gz PPRZQNOJAQCZOG-NPDDRXJXSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614389687 1093801293 /nfs/dbraw/zinc/80/12/93/1093801293.db2.gz XCYOZKCBDPXQRA-OALUTQOASA-N 2 1 374.532 4.398 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000474480204 1093825966 /nfs/dbraw/zinc/82/59/66/1093825966.db2.gz ZOMDBWKNXGJTCK-OTWHNJEPSA-N 2 1 362.558 4.440 20 0 FIADMP Cc1noc2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000894180026 1093889876 /nfs/dbraw/zinc/88/98/76/1093889876.db2.gz YEXIYIHQBNSVDW-MRXNPFEDSA-N 2 1 364.493 4.053 20 0 FIADMP Cc1noc2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000894180025 1093890204 /nfs/dbraw/zinc/89/02/04/1093890204.db2.gz YEXIYIHQBNSVDW-INIZCTEOSA-N 2 1 364.493 4.053 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513217011 1094010504 /nfs/dbraw/zinc/01/05/04/1094010504.db2.gz IEXLNNZRKJBDQB-QFBILLFUSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000513217011 1094010510 /nfs/dbraw/zinc/01/05/10/1094010510.db2.gz IEXLNNZRKJBDQB-QFBILLFUSA-N 2 1 360.448 4.431 20 0 FIADMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1Cl ZINC000513335573 1094071241 /nfs/dbraw/zinc/07/12/41/1094071241.db2.gz IBAXGTAYVQPJHT-IBGZPJMESA-N 2 1 358.913 4.303 20 0 FIADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1Cl ZINC000513335573 1094071248 /nfs/dbraw/zinc/07/12/48/1094071248.db2.gz IBAXGTAYVQPJHT-IBGZPJMESA-N 2 1 358.913 4.303 20 0 FIADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000513335573 1094071255 /nfs/dbraw/zinc/07/12/55/1094071255.db2.gz IBAXGTAYVQPJHT-IBGZPJMESA-N 2 1 358.913 4.303 20 0 FIADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000513335573 1094071261 /nfs/dbraw/zinc/07/12/61/1094071261.db2.gz IBAXGTAYVQPJHT-IBGZPJMESA-N 2 1 358.913 4.303 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363053 1094079627 /nfs/dbraw/zinc/07/96/27/1094079627.db2.gz GUFMEWKIRFLSPN-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363053 1094079635 /nfs/dbraw/zinc/07/96/35/1094079635.db2.gz GUFMEWKIRFLSPN-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000513483440 1094158300 /nfs/dbraw/zinc/15/83/00/1094158300.db2.gz CWCUAAOVDKTMBU-UHFFFAOYSA-N 2 1 360.448 4.384 20 0 FIADMP CN(Cc1cccc(OC(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483440 1094158302 /nfs/dbraw/zinc/15/83/02/1094158302.db2.gz CWCUAAOVDKTMBU-UHFFFAOYSA-N 2 1 360.448 4.384 20 0 FIADMP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000513494100 1094162400 /nfs/dbraw/zinc/16/24/00/1094162400.db2.gz FWRQSVDBGWEFFI-PXNSSMCTSA-N 2 1 356.485 4.225 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513500014 1094172916 /nfs/dbraw/zinc/17/29/16/1094172916.db2.gz KKGFZXOORXKSNV-PGRDOPGGSA-N 2 1 365.521 4.035 20 0 FIADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513501973 1094174198 /nfs/dbraw/zinc/17/41/98/1094174198.db2.gz WEFQSXYXOKQWTE-RXVVDRJESA-N 2 1 365.521 4.035 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524796 1094197667 /nfs/dbraw/zinc/19/76/67/1094197667.db2.gz ICGRAOSTCBLBHQ-MZKRTTBSSA-N 2 1 366.553 4.108 20 0 FIADMP COc1ccc(OC)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513544618 1094206101 /nfs/dbraw/zinc/20/61/01/1094206101.db2.gz KKUNSNOPXMVSRL-QUCCMNQESA-N 2 1 368.521 4.094 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000513643427 1094259477 /nfs/dbraw/zinc/25/94/77/1094259477.db2.gz OKWDBMUWALQXCC-MRXNPFEDSA-N 2 1 368.949 4.349 20 0 FIADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000513679424 1094264031 /nfs/dbraw/zinc/26/40/31/1094264031.db2.gz WZYLSPHOLSKMCZ-OKKOYFSCSA-N 2 1 356.554 4.082 20 0 FIADMP Cc1ccccc1OCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018789 1094437150 /nfs/dbraw/zinc/43/71/50/1094437150.db2.gz GSNQLCDCSVDTOB-UHFFFAOYSA-N 2 1 353.510 4.007 20 0 FIADMP C[N@H+](Cc1cc(-c2cccs2)on1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045473 1094451825 /nfs/dbraw/zinc/45/18/25/1094451825.db2.gz MVYLZIRXZMBDFD-UHFFFAOYSA-N 2 1 368.506 4.147 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039378 1094458517 /nfs/dbraw/zinc/45/85/17/1094458517.db2.gz DQJYVLTWMGEYQG-RMFSNUHRSA-N 2 1 362.521 4.174 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039378 1094458523 /nfs/dbraw/zinc/45/85/23/1094458523.db2.gz DQJYVLTWMGEYQG-RMFSNUHRSA-N 2 1 362.521 4.174 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501063681 1094473816 /nfs/dbraw/zinc/47/38/16/1094473816.db2.gz KLXLFZAEKUTMLE-YLJYHZDGSA-N 2 1 372.553 4.385 20 0 FIADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396325 1094480445 /nfs/dbraw/zinc/48/04/45/1094480445.db2.gz NEGUIXPVNRZKHO-LPHOPBHVSA-N 2 1 361.574 4.094 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397391 1094481157 /nfs/dbraw/zinc/48/11/57/1094481157.db2.gz OUONXUJLUGOKOV-MJGOQNOKSA-N 2 1 361.574 4.401 20 0 FIADMP COc1ccc(Oc2ccc(C[NH2+]CCCn3cc[nH+]c3C)cc2)cc1 ZINC000509943057 1094629579 /nfs/dbraw/zinc/62/95/79/1094629579.db2.gz KWPJRHORNDCJNY-UHFFFAOYSA-N 2 1 351.450 4.172 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811462 1094634666 /nfs/dbraw/zinc/63/46/66/1094634666.db2.gz ROVAOZNXIRUJQA-SKWUIDRYSA-N 2 1 370.459 4.103 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811462 1094634669 /nfs/dbraw/zinc/63/46/69/1094634669.db2.gz ROVAOZNXIRUJQA-SKWUIDRYSA-N 2 1 370.459 4.103 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000474814083 1094658989 /nfs/dbraw/zinc/65/89/89/1094658989.db2.gz XQZOOBRPGRLUSW-FUHIMQAGSA-N 2 1 360.542 4.050 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000474814083 1094658998 /nfs/dbraw/zinc/65/89/98/1094658998.db2.gz XQZOOBRPGRLUSW-FUHIMQAGSA-N 2 1 360.542 4.050 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC000501448376 1094718237 /nfs/dbraw/zinc/71/82/37/1094718237.db2.gz XAXRAMYVFAZZGZ-UHFFFAOYSA-N 2 1 369.253 4.079 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414441862 1094766549 /nfs/dbraw/zinc/76/65/49/1094766549.db2.gz ZQBDHXATMJHWNK-FUHWJXTLSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414441862 1094766559 /nfs/dbraw/zinc/76/65/59/1094766559.db2.gz ZQBDHXATMJHWNK-FUHWJXTLSA-N 2 1 370.516 4.062 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000474876636 1094839748 /nfs/dbraw/zinc/83/97/48/1094839748.db2.gz DPIRSMLFCTXFEJ-QRVBRYPASA-N 2 1 362.558 4.153 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000501785174 1094924594 /nfs/dbraw/zinc/92/45/94/1094924594.db2.gz KLTCLLDLSBZQPY-INIZCTEOSA-N 2 1 354.485 4.096 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474943877 1094938854 /nfs/dbraw/zinc/93/88/54/1094938854.db2.gz OEHLVGQEIDGUOR-JLHGSKIFSA-N 2 1 372.940 4.188 20 0 FIADMP Fc1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502318420 1095342464 /nfs/dbraw/zinc/34/24/64/1095342464.db2.gz OTPAJTZPIDYTKS-OAHLLOKOSA-N 2 1 353.441 4.484 20 0 FIADMP Fc1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502318420 1095342475 /nfs/dbraw/zinc/34/24/75/1095342475.db2.gz OTPAJTZPIDYTKS-OAHLLOKOSA-N 2 1 353.441 4.484 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421337390 1095553205 /nfs/dbraw/zinc/55/32/05/1095553205.db2.gz YXKPZFBITNHAOG-UNMCSNQZSA-N 2 1 364.537 4.382 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000421337390 1095553224 /nfs/dbraw/zinc/55/32/24/1095553224.db2.gz YXKPZFBITNHAOG-UNMCSNQZSA-N 2 1 364.537 4.382 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)nn1C ZINC000502719170 1095744257 /nfs/dbraw/zinc/74/42/57/1095744257.db2.gz CMKUOENJOGFVRV-GOSISDBHSA-N 2 1 354.542 4.344 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)nn1C ZINC000502719170 1095744267 /nfs/dbraw/zinc/74/42/67/1095744267.db2.gz CMKUOENJOGFVRV-GOSISDBHSA-N 2 1 354.542 4.344 20 0 FIADMP COCc1ccccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000513759555 1095913409 /nfs/dbraw/zinc/91/34/09/1095913409.db2.gz GGUTUBLUKRLCGI-UHFFFAOYSA-N 2 1 352.522 4.366 20 0 FIADMP CC[N@H+](Cc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1)C(C)C ZINC000502888121 1095923820 /nfs/dbraw/zinc/92/38/20/1095923820.db2.gz NLVUDENYHYEWEN-UHFFFAOYSA-N 2 1 350.466 4.125 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1)C(C)C ZINC000502888121 1095923824 /nfs/dbraw/zinc/92/38/24/1095923824.db2.gz NLVUDENYHYEWEN-UHFFFAOYSA-N 2 1 350.466 4.125 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ccc(F)cc3Cl)CC2)[nH+]c1 ZINC000421829319 1095942751 /nfs/dbraw/zinc/94/27/51/1095942751.db2.gz HLMWHLWRNNOKEZ-OAHLLOKOSA-N 2 1 361.892 4.372 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CC24CCSCC4)C3)cc1 ZINC000421872280 1095980651 /nfs/dbraw/zinc/98/06/51/1095980651.db2.gz GNLOTSVIFWUHJK-XSDIEEQYSA-N 2 1 356.579 4.305 20 0 FIADMP CC(C[NH+](C)C[C@H](C)c1nccs1)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273087628 1096233269 /nfs/dbraw/zinc/23/32/69/1096233269.db2.gz SBTZFADDVNQVQG-HOTGVXAUSA-N 2 1 366.600 4.007 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000414654888 1096346872 /nfs/dbraw/zinc/34/68/72/1096346872.db2.gz JYJQAYVXJNZPAQ-UHFFFAOYSA-N 2 1 360.505 4.032 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000414654888 1096346878 /nfs/dbraw/zinc/34/68/78/1096346878.db2.gz JYJQAYVXJNZPAQ-UHFFFAOYSA-N 2 1 360.505 4.032 20 0 FIADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1 ZINC000414675023 1096417156 /nfs/dbraw/zinc/41/71/56/1096417156.db2.gz QLMNAQLKASCAFS-INIZCTEOSA-N 2 1 362.876 4.099 20 0 FIADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1 ZINC000414675023 1096417177 /nfs/dbraw/zinc/41/71/77/1096417177.db2.gz QLMNAQLKASCAFS-INIZCTEOSA-N 2 1 362.876 4.099 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422693217 1096464025 /nfs/dbraw/zinc/46/40/25/1096464025.db2.gz LHZXIXUHINZGMQ-IEBWSBKVSA-N 2 1 369.509 4.140 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(O[C@@H](C)CC(C)C)c1 ZINC000422871180 1096516863 /nfs/dbraw/zinc/51/68/63/1096516863.db2.gz CPYFYTDSDNKJAI-WSWWRLHASA-N 2 1 374.569 4.055 20 0 FIADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422942990 1096531526 /nfs/dbraw/zinc/53/15/26/1096531526.db2.gz XIRCKKCOLXNYSL-AUSIDOKSSA-N 2 1 360.501 4.281 20 0 FIADMP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423106710 1096583895 /nfs/dbraw/zinc/58/38/95/1096583895.db2.gz OUCBJASLRSCBPW-ZBUUHCTJSA-N 3 1 363.977 4.361 20 0 FIADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423109674 1096584897 /nfs/dbraw/zinc/58/48/97/1096584897.db2.gz SWFIUUVWKMFJRF-BHDDXSALSA-N 2 1 365.521 4.061 20 0 FIADMP CCCc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000414721138 1096595931 /nfs/dbraw/zinc/59/59/31/1096595931.db2.gz FUEKAFPQQCZRDH-LJQANCHMSA-N 2 1 355.551 4.240 20 0 FIADMP CCCc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000414721138 1096595934 /nfs/dbraw/zinc/59/59/34/1096595934.db2.gz FUEKAFPQQCZRDH-LJQANCHMSA-N 2 1 355.551 4.240 20 0 FIADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423144101 1096596187 /nfs/dbraw/zinc/59/61/87/1096596187.db2.gz YLOUKVKOJDEPEK-GALXQHASSA-N 2 1 373.338 4.243 20 0 FIADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503950150 1096610242 /nfs/dbraw/zinc/61/02/42/1096610242.db2.gz SSNRVKSDAMDVOU-USYVTKNRSA-N 2 1 364.480 4.322 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423206402 1096616873 /nfs/dbraw/zinc/61/68/73/1096616873.db2.gz WSFQTMZQRVEENW-KRWDZBQOSA-N 2 1 360.546 4.263 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000423289715 1096635071 /nfs/dbraw/zinc/63/50/71/1096635071.db2.gz BQDUETIMCGDFDO-WDGBRCNXSA-N 3 1 351.538 4.239 20 0 FIADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298608 1096644763 /nfs/dbraw/zinc/64/47/63/1096644763.db2.gz OTPPVXRSFRUNBR-QZTJIDSGSA-N 2 1 369.347 4.024 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423397677 1096666450 /nfs/dbraw/zinc/66/64/50/1096666450.db2.gz OJAGICSHNGOFOV-CCKFTAQKSA-N 2 1 359.311 4.126 20 0 FIADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000423460150 1096689544 /nfs/dbraw/zinc/68/95/44/1096689544.db2.gz IVAYVWNXVYMNOA-PWSUYJOCSA-N 2 1 368.344 4.269 20 0 FIADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423480784 1096698292 /nfs/dbraw/zinc/69/82/92/1096698292.db2.gz PSCRZEHHGZZSLP-GHTZIAJQSA-N 2 1 367.443 4.159 20 0 FIADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423481091 1096698547 /nfs/dbraw/zinc/69/85/47/1096698547.db2.gz PSCRZEHHGZZSLP-NQIIRXRSSA-N 2 1 367.443 4.159 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOC4(CCCC4)C2)C3)cc1 ZINC000245743287 1098707841 /nfs/dbraw/zinc/70/78/41/1098707841.db2.gz RYRZWWPQBCZTIA-MYGLTJDJSA-N 2 1 354.538 4.263 20 0 FIADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533075673 1098741599 /nfs/dbraw/zinc/74/15/99/1098741599.db2.gz WZNJINPVDNNXRH-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533075673 1098741608 /nfs/dbraw/zinc/74/16/08/1098741608.db2.gz WZNJINPVDNNXRH-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000533075673 1098741617 /nfs/dbraw/zinc/74/16/17/1098741617.db2.gz WZNJINPVDNNXRH-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)CCC2 ZINC000533166938 1098837534 /nfs/dbraw/zinc/83/75/34/1098837534.db2.gz JOEUKIJTKBQGHJ-YADARESESA-N 2 1 364.533 4.383 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)CCC2 ZINC000533166938 1098837542 /nfs/dbraw/zinc/83/75/42/1098837542.db2.gz JOEUKIJTKBQGHJ-YADARESESA-N 2 1 364.533 4.383 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000467342082 1098869345 /nfs/dbraw/zinc/86/93/45/1098869345.db2.gz ICVBMRBNOJKCQF-JOCHJYFZSA-N 2 1 353.485 4.234 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)CCCC2)CC1 ZINC000436254920 1098870393 /nfs/dbraw/zinc/87/03/93/1098870393.db2.gz VJGGBZDPSJJOCD-FGZHOGPDSA-N 2 1 370.581 4.411 20 0 FIADMP CCCO[C@@H]1CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280627 1098945031 /nfs/dbraw/zinc/94/50/31/1098945031.db2.gz LRGIUMLOLVNAOK-DKUWSORSSA-N 2 1 368.606 4.185 20 0 FIADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280627 1098945039 /nfs/dbraw/zinc/94/50/39/1098945039.db2.gz LRGIUMLOLVNAOK-DKUWSORSSA-N 2 1 368.606 4.185 20 0 FIADMP CCCO[C@@H]1CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280627 1098945042 /nfs/dbraw/zinc/94/50/42/1098945042.db2.gz LRGIUMLOLVNAOK-DKUWSORSSA-N 2 1 368.606 4.185 20 0 FIADMP O=C(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167960759 1098993738 /nfs/dbraw/zinc/99/37/38/1098993738.db2.gz BRDNYJUOZRCPIQ-CWAQXLGLSA-N 2 1 374.528 4.413 20 0 FIADMP O=C(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960759 1098993740 /nfs/dbraw/zinc/99/37/40/1098993740.db2.gz BRDNYJUOZRCPIQ-CWAQXLGLSA-N 2 1 374.528 4.413 20 0 FIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000515900792 1099020433 /nfs/dbraw/zinc/02/04/33/1099020433.db2.gz YVBVXXIVKHIQHY-PKTZIBPZSA-N 2 1 368.496 4.023 20 0 FIADMP Fc1cccc(-c2ccc(C[NH2+]CCC[NH2+]Cc3cccnc3)s2)c1 ZINC000414887069 1099099523 /nfs/dbraw/zinc/09/95/23/1099099523.db2.gz WQMIZADSNBFLQG-UHFFFAOYSA-N 2 1 355.482 4.219 20 0 FIADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219090 1099272768 /nfs/dbraw/zinc/27/27/68/1099272768.db2.gz RHGZGBZEBDNFDO-VGOFRKELSA-N 2 1 368.521 4.352 20 0 FIADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219090 1099272783 /nfs/dbraw/zinc/27/27/83/1099272783.db2.gz RHGZGBZEBDNFDO-VGOFRKELSA-N 2 1 368.521 4.352 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067691523 1099487232 /nfs/dbraw/zinc/48/72/32/1099487232.db2.gz WFOUENVYBXFEOT-FQEVSTJZSA-N 2 1 367.537 4.262 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccc3OC)CC2)cs1 ZINC000161779190 1099537551 /nfs/dbraw/zinc/53/75/51/1099537551.db2.gz AZZAXWZPZNQNFY-MRXNPFEDSA-N 2 1 373.566 4.277 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542642 1099563908 /nfs/dbraw/zinc/56/39/08/1099563908.db2.gz GLNXZSPHRLFCOY-MSOLQXFVSA-N 2 1 353.510 4.027 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542642 1099563919 /nfs/dbraw/zinc/56/39/19/1099563919.db2.gz GLNXZSPHRLFCOY-MSOLQXFVSA-N 2 1 353.510 4.027 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542642 1099563935 /nfs/dbraw/zinc/56/39/35/1099563935.db2.gz GLNXZSPHRLFCOY-MSOLQXFVSA-N 2 1 353.510 4.027 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000253542642 1099563947 /nfs/dbraw/zinc/56/39/47/1099563947.db2.gz GLNXZSPHRLFCOY-MSOLQXFVSA-N 2 1 353.510 4.027 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000162243783 1099668987 /nfs/dbraw/zinc/66/89/87/1099668987.db2.gz UJWOJAFWDTZTMR-MRXNPFEDSA-N 2 1 359.477 4.190 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694350 1099826382 /nfs/dbraw/zinc/82/63/82/1099826382.db2.gz CPYNMDKYTMWMRC-UGKGYDQZSA-N 2 1 352.522 4.223 20 0 FIADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699237 1099832663 /nfs/dbraw/zinc/83/26/63/1099832663.db2.gz NRMSSHLNPVEMOW-RBBKRZOGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H](NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699237 1099832672 /nfs/dbraw/zinc/83/26/72/1099832672.db2.gz NRMSSHLNPVEMOW-RBBKRZOGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H](NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699237 1099832685 /nfs/dbraw/zinc/83/26/85/1099832685.db2.gz NRMSSHLNPVEMOW-RBBKRZOGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699237 1099832702 /nfs/dbraw/zinc/83/27/02/1099832702.db2.gz NRMSSHLNPVEMOW-RBBKRZOGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699237 1099832721 /nfs/dbraw/zinc/83/27/21/1099832721.db2.gz NRMSSHLNPVEMOW-RBBKRZOGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699237 1099832735 /nfs/dbraw/zinc/83/27/35/1099832735.db2.gz NRMSSHLNPVEMOW-RBBKRZOGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699237 1099832757 /nfs/dbraw/zinc/83/27/57/1099832757.db2.gz NRMSSHLNPVEMOW-RBBKRZOGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703606 1099857785 /nfs/dbraw/zinc/85/77/85/1099857785.db2.gz ZACGRANPGKTFFA-QEFHDYNCSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714129 1099883587 /nfs/dbraw/zinc/88/35/87/1099883587.db2.gz URYPLNOZYSXPLR-RXVVDRJESA-N 2 1 365.521 4.013 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000508712671 1099902621 /nfs/dbraw/zinc/90/26/21/1099902621.db2.gz RMVOUBRDVSVNQI-SXWKCWPCSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722248 1099940311 /nfs/dbraw/zinc/94/03/11/1099940311.db2.gz WWZUFQXBUHBYPC-QUCCMNQESA-N 2 1 352.497 4.358 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723170 1099943423 /nfs/dbraw/zinc/94/34/23/1099943423.db2.gz VHPAPWKLYIFFAW-WWNPGLIZSA-N 2 1 363.549 4.013 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000516997691 1099978549 /nfs/dbraw/zinc/97/85/49/1099978549.db2.gz JQACFZGCJYFZMU-UHFFFAOYSA-N 2 1 359.477 4.053 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000516997691 1099978550 /nfs/dbraw/zinc/97/85/50/1099978550.db2.gz JQACFZGCJYFZMU-UHFFFAOYSA-N 2 1 359.477 4.053 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)CC2)oc1C ZINC000162742463 1099980612 /nfs/dbraw/zinc/98/06/12/1099980612.db2.gz UPVGNKSPJNLLBW-LJQANCHMSA-N 2 1 371.525 4.400 20 0 FIADMP COc1ccc(Br)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000536652436 1100106069 /nfs/dbraw/zinc/10/60/69/1100106069.db2.gz LLWRBHUVWFMBKS-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000536661302 1100130221 /nfs/dbraw/zinc/13/02/21/1100130221.db2.gz RBEZTAREVTWCAQ-NRFANRHFSA-N 2 1 366.553 4.446 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000536661302 1100130226 /nfs/dbraw/zinc/13/02/26/1100130226.db2.gz RBEZTAREVTWCAQ-NRFANRHFSA-N 2 1 366.553 4.446 20 0 FIADMP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000536673466 1100158309 /nfs/dbraw/zinc/15/83/09/1100158309.db2.gz UXKNESZSEICSPO-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000536673466 1100158320 /nfs/dbraw/zinc/15/83/20/1100158320.db2.gz UXKNESZSEICSPO-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000536673466 1100158338 /nfs/dbraw/zinc/15/83/38/1100158338.db2.gz UXKNESZSEICSPO-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000536673466 1100158348 /nfs/dbraw/zinc/15/83/48/1100158348.db2.gz UXKNESZSEICSPO-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP Clc1ccc(-c2nc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC000459466508 1100209971 /nfs/dbraw/zinc/20/99/71/1100209971.db2.gz YKPIYDPTPIQOGF-UHFFFAOYSA-N 2 1 361.942 4.222 20 0 FIADMP CC[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536709350 1100227887 /nfs/dbraw/zinc/22/78/87/1100227887.db2.gz BMPYGWYRGWKMGX-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536709350 1100227895 /nfs/dbraw/zinc/22/78/95/1100227895.db2.gz BMPYGWYRGWKMGX-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536709350 1100227901 /nfs/dbraw/zinc/22/79/01/1100227901.db2.gz BMPYGWYRGWKMGX-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414921849 1100417379 /nfs/dbraw/zinc/41/73/79/1100417379.db2.gz FAJSFYGOSPRUCQ-OUJCMCIWSA-N 2 1 361.533 4.146 20 0 FIADMP Cc1ccc2cc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)ccc2n1 ZINC000438110087 1100435179 /nfs/dbraw/zinc/43/51/79/1100435179.db2.gz NLTXICFRGHWFBD-QFIPXVFZSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1ccc2cc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438110087 1100435181 /nfs/dbraw/zinc/43/51/81/1100435181.db2.gz NLTXICFRGHWFBD-QFIPXVFZSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1ccc2cc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438110087 1100435185 /nfs/dbraw/zinc/43/51/85/1100435185.db2.gz NLTXICFRGHWFBD-QFIPXVFZSA-N 2 1 359.517 4.497 20 0 FIADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000517786478 1100668540 /nfs/dbraw/zinc/66/85/40/1100668540.db2.gz YSOAZXIOJABPDP-INIZCTEOSA-N 2 1 374.475 4.129 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426025594 1100685359 /nfs/dbraw/zinc/68/53/59/1100685359.db2.gz XIHHRLGZCXAWTB-IERDGZPVSA-N 2 1 368.912 4.450 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C2 ZINC000426058619 1100744271 /nfs/dbraw/zinc/74/42/71/1100744271.db2.gz MIOYIDMPHTVWIB-NPPFBWRTSA-N 2 1 370.562 4.287 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000426058619 1100744276 /nfs/dbraw/zinc/74/42/76/1100744276.db2.gz MIOYIDMPHTVWIB-NPPFBWRTSA-N 2 1 370.562 4.287 20 0 FIADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438581050 1100768271 /nfs/dbraw/zinc/76/82/71/1100768271.db2.gz PQFKGKHQQRDKQC-OAQYLSRUSA-N 2 1 355.526 4.018 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426070818 1100782401 /nfs/dbraw/zinc/78/24/01/1100782401.db2.gz QABDDXLBJIBGNA-NRFANRHFSA-N 2 1 357.929 4.481 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944908 1100885535 /nfs/dbraw/zinc/88/55/35/1100885535.db2.gz HPOKXHWLGXAIJB-IUODEOHRSA-N 2 1 357.361 4.180 20 0 FIADMP CCCOc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccc1OC ZINC000518268644 1101052984 /nfs/dbraw/zinc/05/29/84/1101052984.db2.gz OIHBWOLKSIKLDV-UHFFFAOYSA-N 2 1 368.521 4.022 20 0 FIADMP CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000426335053 1101288483 /nfs/dbraw/zinc/28/84/83/1101288483.db2.gz NKPOUSQBKFKIPI-NUJGCVRESA-N 2 1 363.343 4.289 20 0 FIADMP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000426331139 1101292578 /nfs/dbraw/zinc/29/25/78/1101292578.db2.gz NHACVWOOGJIICH-DEYYWGMASA-N 2 1 363.343 4.289 20 0 FIADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1Cl ZINC000508624299 1101311176 /nfs/dbraw/zinc/31/11/76/1101311176.db2.gz UTQQGSHDSAVWNV-CYBMUJFWSA-N 2 1 368.308 4.190 20 0 FIADMP COc1cc(Cl)c(CN2CCC[C@H](Cc3nccn3C)C2)cc1Cl ZINC000508624299 1101311187 /nfs/dbraw/zinc/31/11/87/1101311187.db2.gz UTQQGSHDSAVWNV-CYBMUJFWSA-N 2 1 368.308 4.190 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000536891124 1101311275 /nfs/dbraw/zinc/31/12/75/1101311275.db2.gz AMWAWPXZJRTXHI-IUKKYPGJSA-N 2 1 350.506 4.194 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724448 1101346505 /nfs/dbraw/zinc/34/65/05/1101346505.db2.gz DRXCZCWQGTXSBA-GOSISDBHSA-N 2 1 374.960 4.023 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439325024 1101347588 /nfs/dbraw/zinc/34/75/88/1101347588.db2.gz HRCGLBOUEZFNQV-GOSISDBHSA-N 2 1 351.332 4.113 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OC1CCCC1 ZINC000537053301 1101428859 /nfs/dbraw/zinc/42/88/59/1101428859.db2.gz KKVVZWIIKYAHJA-INIZCTEOSA-N 2 1 357.498 4.262 20 0 FIADMP Cc1ccc(-n2ccnc2)c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC000537128042 1101482834 /nfs/dbraw/zinc/48/28/34/1101482834.db2.gz QVGOSKMLKRHDNX-UHFFFAOYSA-N 2 1 374.488 4.070 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000475754006 1101604206 /nfs/dbraw/zinc/60/42/06/1101604206.db2.gz IRNLBXFFCITPMM-UHFFFAOYSA-N 2 1 359.489 4.425 20 0 FIADMP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001168166518 1101778725 /nfs/dbraw/zinc/77/87/25/1101778725.db2.gz JHVQDPPZRQACQG-MRXNPFEDSA-N 2 1 358.913 4.230 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168168722 1101828365 /nfs/dbraw/zinc/82/83/65/1101828365.db2.gz UTSMHIZLCMMOGJ-MAODMQOUSA-N 2 1 357.929 4.438 20 0 FIADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@H](C)O1 ZINC000060368508 1101975350 /nfs/dbraw/zinc/97/53/50/1101975350.db2.gz BEWUJQOSNOYXKJ-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@H](C)O1 ZINC000060368508 1101975354 /nfs/dbraw/zinc/97/53/54/1101975354.db2.gz BEWUJQOSNOYXKJ-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000536870781 1102053655 /nfs/dbraw/zinc/05/36/55/1102053655.db2.gz QGZQRJIZORSALL-GUYCJALGSA-N 2 1 350.304 4.331 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168183353 1102088538 /nfs/dbraw/zinc/08/85/38/1102088538.db2.gz PRBVIPKZWMSDIA-LPHOPBHVSA-N 2 1 364.961 4.283 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC001168184414 1102106786 /nfs/dbraw/zinc/10/67/86/1102106786.db2.gz PIAJMEMUOIXWFE-RPWUZVMVSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC001168184414 1102106791 /nfs/dbraw/zinc/10/67/91/1102106791.db2.gz PIAJMEMUOIXWFE-RPWUZVMVSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC001168184414 1102106794 /nfs/dbraw/zinc/10/67/94/1102106794.db2.gz PIAJMEMUOIXWFE-RPWUZVMVSA-N 2 1 364.533 4.015 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897970816 1102151203 /nfs/dbraw/zinc/15/12/03/1102151203.db2.gz PDQGDNYLGLGGEH-YMISUZCDSA-N 2 1 354.538 4.121 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897970816 1102151207 /nfs/dbraw/zinc/15/12/07/1102151207.db2.gz PDQGDNYLGLGGEH-YMISUZCDSA-N 2 1 354.538 4.121 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000060978741 1102181018 /nfs/dbraw/zinc/18/10/18/1102181018.db2.gz UPGFRYDDBXJZJR-BGYRXZFFSA-N 2 1 367.537 4.118 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000060978741 1102181023 /nfs/dbraw/zinc/18/10/23/1102181023.db2.gz UPGFRYDDBXJZJR-BGYRXZFFSA-N 2 1 367.537 4.118 20 0 FIADMP CCCCOCC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168339477 1102275851 /nfs/dbraw/zinc/27/58/51/1102275851.db2.gz PMADHFBTKKFITE-UHFFFAOYSA-N 2 1 372.475 4.418 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C2CCC2)cc1 ZINC000187536686 1102277284 /nfs/dbraw/zinc/27/72/84/1102277284.db2.gz GVKGZISPZPPPQK-ZEQRLZLVSA-N 2 1 364.533 4.193 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000187833857 1102322674 /nfs/dbraw/zinc/32/26/74/1102322674.db2.gz PJFVJUOWVKYLQJ-VGSWGCGISA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000187833857 1102322689 /nfs/dbraw/zinc/32/26/89/1102322689.db2.gz PJFVJUOWVKYLQJ-VGSWGCGISA-N 2 1 356.485 4.287 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000532446887 1102339085 /nfs/dbraw/zinc/33/90/85/1102339085.db2.gz AFZURNBTLDXIPE-PGRDOPGGSA-N 2 1 365.521 4.035 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000532446887 1102339095 /nfs/dbraw/zinc/33/90/95/1102339095.db2.gz AFZURNBTLDXIPE-PGRDOPGGSA-N 2 1 365.521 4.035 20 0 FIADMP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000519540607 1102368462 /nfs/dbraw/zinc/36/84/62/1102368462.db2.gz LPIUDSLAYWCMMO-ROUUACIJSA-N 2 1 365.521 4.011 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121857761 1102462644 /nfs/dbraw/zinc/46/26/44/1102462644.db2.gz QWTUVXYWFGIVOB-YCZSINBZSA-N 2 1 354.538 4.149 20 0 FIADMP CC1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001168214779 1102495256 /nfs/dbraw/zinc/49/52/56/1102495256.db2.gz FRUFUDOBKJLZKX-KITAHSCOSA-N 2 1 356.554 4.321 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303780536 1102562784 /nfs/dbraw/zinc/56/27/84/1102562784.db2.gz SJKKGLBIQOYKQA-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303780536 1102562791 /nfs/dbraw/zinc/56/27/91/1102562791.db2.gz SJKKGLBIQOYKQA-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780536 1102562797 /nfs/dbraw/zinc/56/27/97/1102562797.db2.gz SJKKGLBIQOYKQA-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780536 1102562806 /nfs/dbraw/zinc/56/28/06/1102562806.db2.gz SJKKGLBIQOYKQA-HYBUGGRVSA-N 2 1 374.532 4.357 20 0 FIADMP COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000122401093 1102572869 /nfs/dbraw/zinc/57/28/69/1102572869.db2.gz YYHBTXJWNHHXAY-JKSUJKDBSA-N 2 1 360.473 4.187 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000061016428 1102615749 /nfs/dbraw/zinc/61/57/49/1102615749.db2.gz IIDAMWBVHRGJPB-UHFFFAOYSA-N 2 1 368.521 4.238 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000550889753 1102661209 /nfs/dbraw/zinc/66/12/09/1102661209.db2.gz CZSLAWDJDWZNAK-CEXWTWQISA-N 2 1 367.537 4.419 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1N(C)C ZINC000537648294 1102665317 /nfs/dbraw/zinc/66/53/17/1102665317.db2.gz YNLPAUWULDYMBO-SVFBPWRDSA-N 2 1 351.538 4.456 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1N(C)C ZINC000537648294 1102665322 /nfs/dbraw/zinc/66/53/22/1102665322.db2.gz YNLPAUWULDYMBO-SVFBPWRDSA-N 2 1 351.538 4.456 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000125510427 1102683970 /nfs/dbraw/zinc/68/39/70/1102683970.db2.gz LAJWYIGROWRVAA-FQEVSTJZSA-N 2 1 361.917 4.071 20 0 FIADMP COc1ccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC2)cc1 ZINC001167978145 1102740901 /nfs/dbraw/zinc/74/09/01/1102740901.db2.gz KSOXIYKUITVIAI-FRIKZZABSA-N 2 1 368.565 4.403 20 0 FIADMP Clc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)c1 ZINC001167979055 1102747813 /nfs/dbraw/zinc/74/78/13/1102747813.db2.gz UGCZQCVZRIEDCJ-SEJPIABJSA-N 2 1 374.956 4.341 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](c2ccccc2)[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551013968 1102788714 /nfs/dbraw/zinc/78/87/14/1102788714.db2.gz NOGVGHSMPQAJKQ-MYDTUXCISA-N 2 1 350.506 4.332 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551013968 1102788722 /nfs/dbraw/zinc/78/87/22/1102788722.db2.gz NOGVGHSMPQAJKQ-MYDTUXCISA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551013968 1102788733 /nfs/dbraw/zinc/78/87/33/1102788733.db2.gz NOGVGHSMPQAJKQ-MYDTUXCISA-N 2 1 350.506 4.332 20 0 FIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[NH+](C)C)cc1 ZINC000551014269 1102790503 /nfs/dbraw/zinc/79/05/03/1102790503.db2.gz QVTVMSDUIKGDRF-ZLNRFVROSA-N 2 1 351.538 4.023 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061629 1102832272 /nfs/dbraw/zinc/83/22/72/1102832272.db2.gz UQPMIINDMOBWFG-GOEBONIOSA-N 2 1 354.922 4.100 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061629 1102832288 /nfs/dbraw/zinc/83/22/88/1102832288.db2.gz UQPMIINDMOBWFG-GOEBONIOSA-N 2 1 354.922 4.100 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000130381655 1102835717 /nfs/dbraw/zinc/83/57/17/1102835717.db2.gz AIHVCVZVSQOBMU-PCODUJHASA-N 2 1 370.459 4.103 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000130381655 1102835740 /nfs/dbraw/zinc/83/57/40/1102835740.db2.gz AIHVCVZVSQOBMU-PCODUJHASA-N 2 1 370.459 4.103 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263040 1102883694 /nfs/dbraw/zinc/88/36/94/1102883694.db2.gz TXJDBJUKPQNNND-BAGYTPMASA-N 2 1 356.554 4.084 20 0 FIADMP Brc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000459366034 1102930947 /nfs/dbraw/zinc/93/09/47/1102930947.db2.gz COLOYLLXDDIFSW-UHFFFAOYSA-N 2 1 363.343 4.087 20 0 FIADMP Cc1ccc2nc(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246035 1103000866 /nfs/dbraw/zinc/00/08/66/1103000866.db2.gz PUUSGNMGPZUZDC-CTNGQTDRSA-N 2 1 362.521 4.033 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265621 1103024004 /nfs/dbraw/zinc/02/40/04/1103024004.db2.gz WZSJKWBFFVXCFF-ZRBLBEILSA-N 2 1 368.565 4.084 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000551270091 1103031846 /nfs/dbraw/zinc/03/18/46/1103031846.db2.gz KTORZXXQLMZOPE-OTWHNJEPSA-N 2 1 367.537 4.419 20 0 FIADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1O ZINC000459380527 1103038999 /nfs/dbraw/zinc/03/89/99/1103038999.db2.gz TUSNBESFMOHDHF-GOSISDBHSA-N 2 1 368.521 4.313 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000729681328 1103044218 /nfs/dbraw/zinc/04/42/18/1103044218.db2.gz RPXUCVHDSUQDLN-KRWDZBQOSA-N 2 1 367.468 4.336 20 0 FIADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001203214044 1103254109 /nfs/dbraw/zinc/25/41/09/1103254109.db2.gz BBZBVTZYTLUCDO-IRXDYDNUSA-N 2 1 353.348 4.233 20 0 FIADMP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000551553991 1103353019 /nfs/dbraw/zinc/35/30/19/1103353019.db2.gz CSQPWHIUPPVPNE-UHFFFAOYSA-N 2 1 372.940 4.286 20 0 FIADMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000551553991 1103353034 /nfs/dbraw/zinc/35/30/34/1103353034.db2.gz CSQPWHIUPPVPNE-UHFFFAOYSA-N 2 1 372.940 4.286 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OCC ZINC000666997101 1103362625 /nfs/dbraw/zinc/36/26/25/1103362625.db2.gz WZSCVVOGQOJSHK-MRXNPFEDSA-N 2 1 366.933 4.292 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507459371 1103404753 /nfs/dbraw/zinc/40/47/53/1103404753.db2.gz FUGPYZVKESFTKZ-ODGPQVTHSA-N 2 1 359.517 4.211 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1COc2ccccc21 ZINC000507485312 1103433435 /nfs/dbraw/zinc/43/34/35/1103433435.db2.gz LKOTXXATFBUPDU-FOGFPEBHSA-N 2 1 362.517 4.051 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)cc1 ZINC000507519399 1103443761 /nfs/dbraw/zinc/44/37/61/1103443761.db2.gz IEXYWXKDJFBEKV-UEVCKROQSA-N 2 1 362.517 4.185 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]13)CCO2 ZINC000507515404 1103456169 /nfs/dbraw/zinc/45/61/69/1103456169.db2.gz UVSVHMBVPJQYGO-XYEHWOGUSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)CCO2 ZINC000507515404 1103456174 /nfs/dbraw/zinc/45/61/74/1103456174.db2.gz UVSVHMBVPJQYGO-XYEHWOGUSA-N 2 1 366.480 4.150 20 0 FIADMP c1cc([C@@H]2CCCN2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694063 1103520192 /nfs/dbraw/zinc/52/01/92/1103520192.db2.gz MEHWZFHOXSPPQN-SFTDATJTSA-N 2 1 356.535 4.176 20 0 FIADMP c1cc([C@@H]2CCCN2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694063 1103520208 /nfs/dbraw/zinc/52/02/08/1103520208.db2.gz MEHWZFHOXSPPQN-SFTDATJTSA-N 2 1 356.535 4.176 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187996943 1103732892 /nfs/dbraw/zinc/73/28/92/1103732892.db2.gz QVUGGMKIAPWIIX-XNJGSVPQSA-N 2 1 358.423 4.194 20 0 FIADMP Fc1cc(C(F)(F)F)cc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000187996545 1103733106 /nfs/dbraw/zinc/73/31/06/1103733106.db2.gz SMNVHPMCUHJNRA-IAGOWNOFSA-N 2 1 356.407 4.093 20 0 FIADMP Fc1cc(C(F)(F)F)cc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000187996572 1103734145 /nfs/dbraw/zinc/73/41/45/1103734145.db2.gz SMNVHPMCUHJNRA-DLBZAZTESA-N 2 1 356.407 4.093 20 0 FIADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000312010644 1103831409 /nfs/dbraw/zinc/83/14/09/1103831409.db2.gz RSYITHVEBYTHCC-WMZHIEFXSA-N 2 1 350.506 4.271 20 0 FIADMP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000461085682 1104069246 /nfs/dbraw/zinc/06/92/46/1104069246.db2.gz GEBOKSOQUFIWTK-ZIFCJYIRSA-N 2 1 362.558 4.080 20 0 FIADMP CCN(C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CCCCC1 ZINC000538267204 1104073076 /nfs/dbraw/zinc/07/30/76/1104073076.db2.gz APUJZDZGLAAWPB-QGZVFWFLSA-N 2 1 368.525 4.013 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000461081810 1104082012 /nfs/dbraw/zinc/08/20/12/1104082012.db2.gz BOIFXYPHOITUCJ-MJGOQNOKSA-N 2 1 362.558 4.082 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000520210968 1104187334 /nfs/dbraw/zinc/18/73/34/1104187334.db2.gz HRQVXEWJNBSIBW-MRXNPFEDSA-N 2 1 374.960 4.390 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000520391826 1104320420 /nfs/dbraw/zinc/32/04/20/1104320420.db2.gz SLPPMXFEFROAIU-JOCHJYFZSA-N 2 1 352.522 4.130 20 0 FIADMP c1nn(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c2ccccc12 ZINC001167994755 1104484235 /nfs/dbraw/zinc/48/42/35/1104484235.db2.gz NHYWVWSNPCUNRK-CBQGHPETSA-N 2 1 364.537 4.079 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303330 1104639350 /nfs/dbraw/zinc/63/93/50/1104639350.db2.gz YQRHZHKGJXJXBB-CXAGYDPISA-N 2 1 369.322 4.286 20 0 FIADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000237169391 1104787850 /nfs/dbraw/zinc/78/78/50/1104787850.db2.gz LRKDRDQIXVMDHH-UHFFFAOYSA-N 2 1 365.340 4.361 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c1 ZINC000077403058 1104889759 /nfs/dbraw/zinc/88/97/59/1104889759.db2.gz FZCIJUZYQRYBSG-UHFFFAOYSA-N 2 1 366.484 4.141 20 0 FIADMP Brc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)s1 ZINC000190589619 1104935239 /nfs/dbraw/zinc/93/52/39/1104935239.db2.gz HCDINSQFUPJFHT-QGZVFWFLSA-N 2 1 369.372 4.426 20 0 FIADMP COc1cccc([C@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168001650 1104935509 /nfs/dbraw/zinc/93/55/09/1104935509.db2.gz FTKUVAOUMRSJAP-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP COc1cccc([C@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168001650 1104935512 /nfs/dbraw/zinc/93/55/12/1104935512.db2.gz FTKUVAOUMRSJAP-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP COc1cccc([C@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001168001650 1104935516 /nfs/dbraw/zinc/93/55/16/1104935516.db2.gz FTKUVAOUMRSJAP-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP COc1cccc([C@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001168001650 1104935520 /nfs/dbraw/zinc/93/55/20/1104935520.db2.gz FTKUVAOUMRSJAP-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP COc1ccc(C2=CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001168001857 1104954822 /nfs/dbraw/zinc/95/48/22/1104954822.db2.gz JOAXESQWMKZRMP-CBQGHPETSA-N 2 1 352.522 4.190 20 0 FIADMP COc1ccc(C2=CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001168001857 1104954828 /nfs/dbraw/zinc/95/48/28/1104954828.db2.gz JOAXESQWMKZRMP-CBQGHPETSA-N 2 1 352.522 4.190 20 0 FIADMP COc1ccc(C2=CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001168001857 1104954830 /nfs/dbraw/zinc/95/48/30/1104954830.db2.gz JOAXESQWMKZRMP-CBQGHPETSA-N 2 1 352.522 4.190 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(-c4ccccc4)cc32)CC1 ZINC000427601313 1105036640 /nfs/dbraw/zinc/03/66/40/1105036640.db2.gz YMXNNEILHLHZFC-QHCPKHFHSA-N 2 1 350.506 4.041 20 0 FIADMP COc1cc(CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC001168005162 1105071796 /nfs/dbraw/zinc/07/17/96/1105071796.db2.gz HDLGRZKDLOZUIN-RMFSNUHRSA-N 2 1 368.521 4.235 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC001168005162 1105071809 /nfs/dbraw/zinc/07/18/09/1105071809.db2.gz HDLGRZKDLOZUIN-RMFSNUHRSA-N 2 1 368.521 4.235 20 0 FIADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000507791508 1105077357 /nfs/dbraw/zinc/07/73/57/1105077357.db2.gz CPOXWEOKAOHXCE-ZRBLBEILSA-N 2 1 356.554 4.180 20 0 FIADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000507791508 1105077365 /nfs/dbraw/zinc/07/73/65/1105077365.db2.gz CPOXWEOKAOHXCE-ZRBLBEILSA-N 2 1 356.554 4.180 20 0 FIADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152396461 1105082631 /nfs/dbraw/zinc/08/26/31/1105082631.db2.gz CIESYYXQQVODRH-UKRRQHHQSA-N 2 1 359.514 4.393 20 0 FIADMP CC(C)[NH+]1CCC(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168008174 1105171284 /nfs/dbraw/zinc/17/12/84/1105171284.db2.gz CYAGCHROUWFXSQ-WOJBJXKFSA-N 2 1 357.586 4.138 20 0 FIADMP C[C@@H]1C[C@@H](n2c3ccccc3nc2CC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008452 1105192466 /nfs/dbraw/zinc/19/24/66/1105192466.db2.gz DYWHMRVAPDHWAO-OPVJXMOQSA-N 2 1 362.521 4.152 20 0 FIADMP COc1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009070 1105207215 /nfs/dbraw/zinc/20/72/15/1105207215.db2.gz GOSXZIYDQGZSJC-CEQLMSFQSA-N 2 1 368.521 4.105 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834399 1105240702 /nfs/dbraw/zinc/24/07/02/1105240702.db2.gz UPTNRNGDGHWFCB-UXHICEINSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834399 1105240705 /nfs/dbraw/zinc/24/07/05/1105240705.db2.gz UPTNRNGDGHWFCB-UXHICEINSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834399 1105240709 /nfs/dbraw/zinc/24/07/09/1105240709.db2.gz UPTNRNGDGHWFCB-UXHICEINSA-N 2 1 366.553 4.174 20 0 FIADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000427831457 1105290859 /nfs/dbraw/zinc/29/08/59/1105290859.db2.gz KBCPEIYOZMBHHK-ZIFCJYIRSA-N 2 1 352.526 4.114 20 0 FIADMP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000427831457 1105290863 /nfs/dbraw/zinc/29/08/63/1105290863.db2.gz KBCPEIYOZMBHHK-ZIFCJYIRSA-N 2 1 352.526 4.114 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](COCC3CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064250 1106855366 /nfs/dbraw/zinc/85/53/66/1106855366.db2.gz PLVFFGSHRNMPML-IYRWYFENSA-N 2 1 356.554 4.177 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](COCC3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064250 1106855383 /nfs/dbraw/zinc/85/53/83/1106855383.db2.gz PLVFFGSHRNMPML-IYRWYFENSA-N 2 1 356.554 4.177 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](COCC3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064250 1106855406 /nfs/dbraw/zinc/85/54/06/1106855406.db2.gz PLVFFGSHRNMPML-IYRWYFENSA-N 2 1 356.554 4.177 20 0 FIADMP CCOC(=O)[C@@H]1CCCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168064978 1106890210 /nfs/dbraw/zinc/89/02/10/1106890210.db2.gz TWJZFLFPKJVHDT-IRFCIJBXSA-N 2 1 372.553 4.093 20 0 FIADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451291830 1107011227 /nfs/dbraw/zinc/01/12/27/1107011227.db2.gz AJZKKTGGOCJWLO-CQSZACIVSA-N 2 1 361.477 4.216 20 0 FIADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451291830 1107011238 /nfs/dbraw/zinc/01/12/38/1107011238.db2.gz AJZKKTGGOCJWLO-CQSZACIVSA-N 2 1 361.477 4.216 20 0 FIADMP C[C@@H]1C[NH+](CCC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@@H](C)O1 ZINC000301513191 1107055125 /nfs/dbraw/zinc/05/51/25/1107055125.db2.gz BGURYMMSCUWKFM-HZPDHXFCSA-N 2 1 359.539 4.012 20 0 FIADMP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301717554 1107120651 /nfs/dbraw/zinc/12/06/51/1107120651.db2.gz ODMBNSLSMVARSU-KSSFIOAISA-N 2 1 361.436 4.065 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569048 1107184502 /nfs/dbraw/zinc/18/45/02/1107184502.db2.gz NLIKGBCGSPXXBF-QGZVFWFLSA-N 2 1 362.315 4.224 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569048 1107184507 /nfs/dbraw/zinc/18/45/07/1107184507.db2.gz NLIKGBCGSPXXBF-QGZVFWFLSA-N 2 1 362.315 4.224 20 0 FIADMP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000302034892 1107270063 /nfs/dbraw/zinc/27/00/63/1107270063.db2.gz DZPPUFWYHWXMSD-SFHVURJKSA-N 2 1 367.880 4.067 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000302034892 1107270086 /nfs/dbraw/zinc/27/00/86/1107270086.db2.gz DZPPUFWYHWXMSD-SFHVURJKSA-N 2 1 367.880 4.067 20 0 FIADMP C[C@H](C[NH+]1CCC[C@@]2(CCSC2)C1)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980250 1107410693 /nfs/dbraw/zinc/41/06/93/1107410693.db2.gz QXCVPTKGQGGVFZ-OWZKRDHZSA-N 2 1 368.656 4.061 20 0 FIADMP C[C@@H](C[NH+]1CCC[C@]2(CCSC2)C1)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980250 1107410697 /nfs/dbraw/zinc/41/06/97/1107410697.db2.gz QXCVPTKGQGGVFZ-OWZKRDHZSA-N 2 1 368.656 4.061 20 0 FIADMP C[C@@H](C[NH+]1CCC[C@]2(CCSC2)C1)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980250 1107410700 /nfs/dbraw/zinc/41/07/00/1107410700.db2.gz QXCVPTKGQGGVFZ-OWZKRDHZSA-N 2 1 368.656 4.061 20 0 FIADMP C[C@@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655717883 1107571868 /nfs/dbraw/zinc/57/18/68/1107571868.db2.gz FKRRWTIMIZJRGO-HNAYVOBHSA-N 2 1 370.459 4.042 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152444068 1107650861 /nfs/dbraw/zinc/65/08/61/1107650861.db2.gz LYQDGBCZYMSWEW-QAPCUYQASA-N 2 1 355.551 4.177 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152444068 1107650870 /nfs/dbraw/zinc/65/08/70/1107650870.db2.gz LYQDGBCZYMSWEW-QAPCUYQASA-N 2 1 355.551 4.177 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000531240635 1107687213 /nfs/dbraw/zinc/68/72/13/1107687213.db2.gz OXTPIMCSRPBBLS-AEFFLSMTSA-N 2 1 358.555 4.195 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000531677335 1108065046 /nfs/dbraw/zinc/06/50/46/1108065046.db2.gz PVDPEYQMUTUHLZ-KGLIPLIRSA-N 2 1 369.987 4.102 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000531707113 1108085636 /nfs/dbraw/zinc/08/56/36/1108085636.db2.gz ZPJDGOIDLNDVSM-QWQRMKEZSA-N 2 1 358.448 4.311 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000531707113 1108085650 /nfs/dbraw/zinc/08/56/50/1108085650.db2.gz ZPJDGOIDLNDVSM-QWQRMKEZSA-N 2 1 358.448 4.311 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000531712330 1108091434 /nfs/dbraw/zinc/09/14/34/1108091434.db2.gz YUANQRLAXPEFKL-HTAPYJJXSA-N 2 1 374.488 4.027 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cs1 ZINC000453071148 1108122701 /nfs/dbraw/zinc/12/27/01/1108122701.db2.gz CVARKYKNBJJPMX-HBMCJLEFSA-N 2 1 355.551 4.027 20 0 FIADMP Cc1nccn1CCCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000444717777 1108126984 /nfs/dbraw/zinc/12/69/84/1108126984.db2.gz SZUPPPBHUKXFLE-UHFFFAOYSA-N 2 1 350.304 4.175 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Br)cc1C ZINC000444717777 1108126989 /nfs/dbraw/zinc/12/69/89/1108126989.db2.gz SZUPPPBHUKXFLE-UHFFFAOYSA-N 2 1 350.304 4.175 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000444717777 1108126993 /nfs/dbraw/zinc/12/69/93/1108126993.db2.gz SZUPPPBHUKXFLE-UHFFFAOYSA-N 2 1 350.304 4.175 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2sccc21 ZINC000453059813 1108136848 /nfs/dbraw/zinc/13/68/48/1108136848.db2.gz AHRGJRBXELXSRI-DYESRHJHSA-N 2 1 369.578 4.224 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCCN[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062873 1108140872 /nfs/dbraw/zinc/14/08/72/1108140872.db2.gz QVGIAVYCTOMAGW-FXAWDEMLSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062873 1108140878 /nfs/dbraw/zinc/14/08/78/1108140878.db2.gz QVGIAVYCTOMAGW-FXAWDEMLSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062873 1108140881 /nfs/dbraw/zinc/14/08/81/1108140881.db2.gz QVGIAVYCTOMAGW-FXAWDEMLSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2sccc21 ZINC000453101477 1108169509 /nfs/dbraw/zinc/16/95/09/1108169509.db2.gz YFIOUFINVYZKQV-OXJNMPFZSA-N 2 1 356.535 4.309 20 0 FIADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127597 1108205722 /nfs/dbraw/zinc/20/57/22/1108205722.db2.gz PPGBOQLOEPGLFB-ZRBLBEILSA-N 2 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127597 1108205735 /nfs/dbraw/zinc/20/57/35/1108205735.db2.gz PPGBOQLOEPGLFB-ZRBLBEILSA-N 3 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127597 1108205741 /nfs/dbraw/zinc/20/57/41/1108205741.db2.gz PPGBOQLOEPGLFB-ZRBLBEILSA-N 3 1 366.553 4.005 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+](C)C(C)C)CC2)cc1 ZINC000523420651 1108208895 /nfs/dbraw/zinc/20/88/95/1108208895.db2.gz DPNVMJXTTLKPBA-UHFFFAOYSA-N 2 1 373.585 4.111 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000523420651 1108208906 /nfs/dbraw/zinc/20/89/06/1108208906.db2.gz DPNVMJXTTLKPBA-UHFFFAOYSA-N 2 1 373.585 4.111 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000523420651 1108208914 /nfs/dbraw/zinc/20/89/14/1108208914.db2.gz DPNVMJXTTLKPBA-UHFFFAOYSA-N 2 1 373.585 4.111 20 0 FIADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453171631 1108245979 /nfs/dbraw/zinc/24/59/79/1108245979.db2.gz MNZCYZXXGGYSMO-XUFNMVPLSA-N 2 1 367.537 4.428 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cc(-c2ccccc2)nn1C ZINC000453197594 1108267127 /nfs/dbraw/zinc/26/71/27/1108267127.db2.gz NLIHLQDPXQGPOW-BJLQDIEVSA-N 2 1 366.553 4.391 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1nccs1 ZINC000453204122 1108275441 /nfs/dbraw/zinc/27/54/41/1108275441.db2.gz VTZSLLVIJNCCBA-VBSBHUPXSA-N 2 1 355.551 4.279 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH+]3CCC[C@H]3C2)CCCCC1 ZINC000714226703 1108401332 /nfs/dbraw/zinc/40/13/32/1108401332.db2.gz OAWUAYHBLAJUKD-YADHBBJMSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000714226703 1108401344 /nfs/dbraw/zinc/40/13/44/1108401344.db2.gz OAWUAYHBLAJUKD-YADHBBJMSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000714226703 1108401353 /nfs/dbraw/zinc/40/13/53/1108401353.db2.gz OAWUAYHBLAJUKD-YADHBBJMSA-N 2 1 355.570 4.038 20 0 FIADMP CC(C)[C@H]1C[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453313933 1108402507 /nfs/dbraw/zinc/40/25/07/1108402507.db2.gz DYMKUZNZCHRMJW-SCZRWQTQSA-N 2 1 358.570 4.470 20 0 FIADMP CCc1ccc([C@@H](C)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)o1 ZINC000453326752 1108417885 /nfs/dbraw/zinc/41/78/85/1108417885.db2.gz NVRWECICBOWELL-MRXNPFEDSA-N 2 1 369.509 4.116 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941919 1108420789 /nfs/dbraw/zinc/42/07/89/1108420789.db2.gz UDABSPUSPICMEQ-XXBNENTESA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941919 1108420796 /nfs/dbraw/zinc/42/07/96/1108420796.db2.gz UDABSPUSPICMEQ-XXBNENTESA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000531956393 1108445410 /nfs/dbraw/zinc/44/54/10/1108445410.db2.gz GVHXFIUSJUPEFV-IIDMSEBBSA-N 2 1 365.359 4.189 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@@]4(CCSC4)C2)C3)cc1 ZINC000453353462 1108452968 /nfs/dbraw/zinc/45/29/68/1108452968.db2.gz JEPVYILWXPZJAY-CLAROIROSA-N 2 1 356.579 4.401 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C1CC1 ZINC000453386342 1108471933 /nfs/dbraw/zinc/47/19/33/1108471933.db2.gz AOWPLSMJDIAHEV-OAQYLSRUSA-N 2 1 357.929 4.483 20 0 FIADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988750 1108472510 /nfs/dbraw/zinc/47/25/10/1108472510.db2.gz GFLRZDFXOZDTRF-PMACEKPBSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988750 1108472514 /nfs/dbraw/zinc/47/25/14/1108472514.db2.gz GFLRZDFXOZDTRF-PMACEKPBSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000531988750 1108472521 /nfs/dbraw/zinc/47/25/21/1108472521.db2.gz GFLRZDFXOZDTRF-PMACEKPBSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000531988750 1108472525 /nfs/dbraw/zinc/47/25/25/1108472525.db2.gz GFLRZDFXOZDTRF-PMACEKPBSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccc(-n3cccn3)cc2)cc1 ZINC000531989780 1108474309 /nfs/dbraw/zinc/47/43/09/1108474309.db2.gz YWDLREDRLGSVLE-GOSISDBHSA-N 2 1 371.488 4.260 20 0 FIADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375628 1108493272 /nfs/dbraw/zinc/49/32/72/1108493272.db2.gz XYUFOVXBZZLOOD-ZPGBFPTHSA-N 2 1 357.325 4.364 20 0 FIADMP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CCCC2)cc1C ZINC000532249243 1108727181 /nfs/dbraw/zinc/72/71/81/1108727181.db2.gz ROTPBWMSZQUJSY-QKNQBKEWSA-N 2 1 371.569 4.121 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)ccn2)c1C ZINC000532239734 1108732892 /nfs/dbraw/zinc/73/28/92/1108732892.db2.gz ZPXJMRXZMASZIC-FUHIMQAGSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)ccn2)c1C ZINC000532239734 1108732901 /nfs/dbraw/zinc/73/29/01/1108732901.db2.gz ZPXJMRXZMASZIC-FUHIMQAGSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)o2)cc1C ZINC000532344235 1108771831 /nfs/dbraw/zinc/77/18/31/1108771831.db2.gz RJKXLYFICWPBSS-SFHVURJKSA-N 2 1 370.541 4.467 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753204 1109330088 /nfs/dbraw/zinc/33/00/88/1109330088.db2.gz RBZREECCTYPQAZ-MLGOLLRUSA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753204 1109330093 /nfs/dbraw/zinc/33/00/93/1109330093.db2.gz RBZREECCTYPQAZ-MLGOLLRUSA-N 2 1 359.739 4.485 20 0 FIADMP CCOc1cc2[nH+]ccc(N(C)CCCn3cc[nH+]c3C)c2cc1OCC ZINC000446878324 1109377093 /nfs/dbraw/zinc/37/70/93/1109377093.db2.gz WURYEFZVJXPHFQ-UHFFFAOYSA-N 2 1 368.481 4.064 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000525490154 1109400641 /nfs/dbraw/zinc/40/06/41/1109400641.db2.gz GXNCYBSPTXDQNF-SFHVURJKSA-N 2 1 365.521 4.375 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)CC1(C)C ZINC000623386565 1109469945 /nfs/dbraw/zinc/46/99/45/1109469945.db2.gz ZVOKHWYXIBQYCQ-HXUWFJFHSA-N 2 1 362.521 4.047 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000525709058 1109488429 /nfs/dbraw/zinc/48/84/29/1109488429.db2.gz IXZBSGZXAIPMRD-NQIIRXRSSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000525709058 1109488431 /nfs/dbraw/zinc/48/84/31/1109488431.db2.gz IXZBSGZXAIPMRD-NQIIRXRSSA-N 2 1 368.521 4.237 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000525779470 1109515971 /nfs/dbraw/zinc/51/59/71/1109515971.db2.gz RRDRXWIPBGAYKG-PZJWPPBQSA-N 2 1 351.538 4.001 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000525858455 1109541123 /nfs/dbraw/zinc/54/11/23/1109541123.db2.gz PMIUEFAWHVRUAM-HBGVWJBISA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000525858455 1109541128 /nfs/dbraw/zinc/54/11/28/1109541128.db2.gz PMIUEFAWHVRUAM-HBGVWJBISA-N 2 1 354.469 4.150 20 0 FIADMP CCCOc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544419282 1109545837 /nfs/dbraw/zinc/54/58/37/1109545837.db2.gz AZBBBDAYOMQXBN-RBUKOAKNSA-N 2 1 360.542 4.097 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587041 1109587347 /nfs/dbraw/zinc/58/73/47/1109587347.db2.gz PYENBPMAUKTDRD-AOIWGVFYSA-N 2 1 370.493 4.018 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526108197 1109623798 /nfs/dbraw/zinc/62/37/98/1109623798.db2.gz ZSDIKLDKLJXOMM-PLMTUMEDSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526108197 1109623800 /nfs/dbraw/zinc/62/38/00/1109623800.db2.gz ZSDIKLDKLJXOMM-PLMTUMEDSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC001168092325 1109642604 /nfs/dbraw/zinc/64/26/04/1109642604.db2.gz GZGKFFZYAZKXGG-OUJCMCIWSA-N 2 1 364.533 4.202 20 0 FIADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000447943936 1109677665 /nfs/dbraw/zinc/67/76/65/1109677665.db2.gz YROHEWPXMSVBBG-UHFFFAOYSA-N 2 1 373.566 4.205 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448021968 1109695504 /nfs/dbraw/zinc/69/55/04/1109695504.db2.gz LUSOIOCQVBCUOF-FVTFTPSCSA-N 2 1 366.553 4.089 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000448021968 1109695506 /nfs/dbraw/zinc/69/55/06/1109695506.db2.gz LUSOIOCQVBCUOF-FVTFTPSCSA-N 2 1 366.553 4.089 20 0 FIADMP C[C@@H](N[C@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197742 1109717625 /nfs/dbraw/zinc/71/76/25/1109717625.db2.gz ZSDIKLDKLJXOMM-BLIXFSHQSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527197742 1109717629 /nfs/dbraw/zinc/71/76/29/1109717629.db2.gz ZSDIKLDKLJXOMM-BLIXFSHQSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197742 1109717633 /nfs/dbraw/zinc/71/76/33/1109717633.db2.gz ZSDIKLDKLJXOMM-BLIXFSHQSA-N 2 1 354.469 4.150 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000527298595 1109735221 /nfs/dbraw/zinc/73/52/21/1109735221.db2.gz PIMPSLYCXXGGES-CTNGQTDRSA-N 2 1 364.599 4.122 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360870 1109749755 /nfs/dbraw/zinc/74/97/55/1109749755.db2.gz MKDPHSGROKCGSR-OFNKIYASSA-N 2 1 352.522 4.346 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360870 1109749761 /nfs/dbraw/zinc/74/97/61/1109749761.db2.gz MKDPHSGROKCGSR-OFNKIYASSA-N 2 1 352.522 4.346 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCN2C2CCCC2)CC1 ZINC000527999163 1109881290 /nfs/dbraw/zinc/88/12/90/1109881290.db2.gz FOAIMIZCOASFDK-YDPRHXJPSA-N 3 1 355.570 4.036 20 0 FIADMP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000449085601 1109970964 /nfs/dbraw/zinc/97/09/64/1109970964.db2.gz OPBSGQMNVHSWRG-UHFFFAOYSA-N 2 1 373.585 4.205 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000449099817 1109976055 /nfs/dbraw/zinc/97/60/55/1109976055.db2.gz VIHBKJYRYPZNBJ-LJQANCHMSA-N 2 1 359.517 4.420 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2coc3ccccc23)[C@H](C)C1 ZINC000449143861 1109985109 /nfs/dbraw/zinc/98/51/09/1109985109.db2.gz XXCJBXMDBNSNOS-LQWHRVPQSA-N 2 1 358.526 4.090 20 0 FIADMP COc1cc2ccccc2cc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000449160185 1109989604 /nfs/dbraw/zinc/98/96/04/1109989604.db2.gz AETFDFSDCWPBPY-UHFFFAOYSA-N 2 1 361.489 4.310 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449180884 1109993524 /nfs/dbraw/zinc/99/35/24/1109993524.db2.gz CUBKMISBFRGAPL-MOJGAOKDSA-N 2 1 366.553 4.244 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449180884 1109993527 /nfs/dbraw/zinc/99/35/27/1109993527.db2.gz CUBKMISBFRGAPL-MOJGAOKDSA-N 2 1 366.553 4.244 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455988 1109994854 /nfs/dbraw/zinc/99/48/54/1109994854.db2.gz KWKCHVMSGWPGBY-MAUKXSAKSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455988 1109994855 /nfs/dbraw/zinc/99/48/55/1109994855.db2.gz KWKCHVMSGWPGBY-MAUKXSAKSA-N 2 1 363.427 4.101 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343624 1110035097 /nfs/dbraw/zinc/03/50/97/1110035097.db2.gz LXEBUXIIVXIMIV-FCHUYYIVSA-N 2 1 368.565 4.228 20 0 FIADMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414243 1110055660 /nfs/dbraw/zinc/05/56/60/1110055660.db2.gz LRRNHBRZZNUNIZ-UNMCSNQZSA-N 2 1 356.554 4.036 20 0 FIADMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414242 1110055863 /nfs/dbraw/zinc/05/58/63/1110055863.db2.gz LRRNHBRZZNUNIZ-RBBKRZOGSA-N 2 1 356.554 4.036 20 0 FIADMP Cc1noc(C)c1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413880 1110056091 /nfs/dbraw/zinc/05/60/91/1110056091.db2.gz KMEOUSCMYXOVCF-QFIPXVFZSA-N 2 1 367.537 4.414 20 0 FIADMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416285 1110056396 /nfs/dbraw/zinc/05/63/96/1110056396.db2.gz SQPOOKRHOLIBJF-IFMALSPDSA-N 2 1 356.554 4.036 20 0 FIADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026304075 1110095115 /nfs/dbraw/zinc/09/51/15/1110095115.db2.gz ASHPDWLPWKJRKC-UHFFFAOYSA-N 2 1 362.521 4.217 20 0 FIADMP COCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000449551960 1110107149 /nfs/dbraw/zinc/10/71/49/1110107149.db2.gz HTJXNNAEXCWECB-SFHVURJKSA-N 2 1 358.448 4.245 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000449561486 1110110929 /nfs/dbraw/zinc/11/09/29/1110110929.db2.gz VPNZGKZFYFWUIN-OOKSDGMUSA-N 2 1 350.934 4.411 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449634257 1110135966 /nfs/dbraw/zinc/13/59/66/1110135966.db2.gz ZVPOXAYAMHNDOD-MJUUVYJYSA-N 2 1 370.562 4.468 20 0 FIADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+]([C@@H]4CCO[C@@H](C)C4)CC3)C2)cc1 ZINC001168114900 1110238970 /nfs/dbraw/zinc/23/89/70/1110238970.db2.gz FLAZJRONNWRNIU-RBBKRZOGSA-N 2 1 356.554 4.241 20 0 FIADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450610047 1110319530 /nfs/dbraw/zinc/31/95/30/1110319530.db2.gz GHLKXUMPVITFOY-MRXNPFEDSA-N 2 1 370.459 4.028 20 0 FIADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450610047 1110319532 /nfs/dbraw/zinc/31/95/32/1110319532.db2.gz GHLKXUMPVITFOY-MRXNPFEDSA-N 2 1 370.459 4.028 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC000538523864 1111171594 /nfs/dbraw/zinc/17/15/94/1111171594.db2.gz QYZADHQXONOHJG-RXVVDRJESA-N 2 1 350.506 4.327 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC000538523864 1111171598 /nfs/dbraw/zinc/17/15/98/1111171598.db2.gz QYZADHQXONOHJG-RXVVDRJESA-N 2 1 350.506 4.327 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799091 1111295484 /nfs/dbraw/zinc/29/54/84/1111295484.db2.gz MMWQXXMXTUHTMH-UXPWSPDFSA-N 2 1 374.525 4.238 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799091 1111295487 /nfs/dbraw/zinc/29/54/87/1111295487.db2.gz MMWQXXMXTUHTMH-UXPWSPDFSA-N 2 1 374.525 4.238 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000461794488 1111358777 /nfs/dbraw/zinc/35/87/77/1111358777.db2.gz GXSCATROTUREIH-QRVBRYPASA-N 2 1 365.359 4.377 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060183 1111406534 /nfs/dbraw/zinc/40/65/34/1111406534.db2.gz PZAVOMHUYCQTJP-JBBXEZCESA-N 2 1 357.325 4.022 20 0 FIADMP CC(C)[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000539159459 1111454296 /nfs/dbraw/zinc/45/42/96/1111454296.db2.gz RVAGBTAFSSDQQO-YRNRMSPPSA-N 2 1 359.514 4.188 20 0 FIADMP Cc1ccc2c(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c[nH]c2c1 ZINC000462040448 1111470408 /nfs/dbraw/zinc/47/04/08/1111470408.db2.gz NOHOWCIXOSXIOT-UHFFFAOYSA-N 2 1 361.533 4.316 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000468964792 1111511266 /nfs/dbraw/zinc/51/12/66/1111511266.db2.gz KJTCPVCMGAUCQA-WMLDXEAASA-N 2 1 353.348 4.047 20 0 FIADMP C[C@H](CCc1ccccc1)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000539367272 1111531902 /nfs/dbraw/zinc/53/19/02/1111531902.db2.gz ILDVPDPTTWUERP-OAQYLSRUSA-N 2 1 365.565 4.289 20 0 FIADMP COCC[C@@H](Cc1ccco1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552065465 1111564588 /nfs/dbraw/zinc/56/45/88/1111564588.db2.gz AGRNMIRKRFTCSD-ORFBVSJDSA-N 2 1 370.537 4.260 20 0 FIADMP CSCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000552099479 1111585141 /nfs/dbraw/zinc/58/51/41/1111585141.db2.gz KNCTXMRODLIWGR-UHFFFAOYSA-N 2 1 354.563 4.346 20 0 FIADMP FC(F)(F)Oc1cccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224314 1111624193 /nfs/dbraw/zinc/62/41/93/1111624193.db2.gz SPQWFENRFPKGPB-ACJLOTCBSA-N 2 1 354.416 4.110 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H]2CCC[C@@H]21 ZINC000552259547 1111638939 /nfs/dbraw/zinc/63/89/39/1111638939.db2.gz KSQCGVLKMKLHLB-BZSNNMDCSA-N 2 1 361.942 4.426 20 0 FIADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000479356135 1111997694 /nfs/dbraw/zinc/99/76/94/1111997694.db2.gz WCQPHQKXTKQBLA-FZKQIMNGSA-N 2 1 351.332 4.146 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384670 1112005393 /nfs/dbraw/zinc/00/53/93/1112005393.db2.gz BWLMAXKJCAYHOX-DENIHFKCSA-N 2 1 366.553 4.207 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384670 1112005397 /nfs/dbraw/zinc/00/53/97/1112005397.db2.gz BWLMAXKJCAYHOX-DENIHFKCSA-N 2 1 366.553 4.207 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)ccc1F ZINC000479438048 1112023529 /nfs/dbraw/zinc/02/35/29/1112023529.db2.gz NRSRHHFKXQTKGD-KNQAVFIVSA-N 2 1 374.475 4.018 20 0 FIADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000479441353 1112024653 /nfs/dbraw/zinc/02/46/53/1112024653.db2.gz BFFLLMVLAPRKMJ-XUZZJYLKSA-N 2 1 364.533 4.128 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000479466313 1112041637 /nfs/dbraw/zinc/04/16/37/1112041637.db2.gz RLQLWBDPXIQRPN-FXAWDEMLSA-N 2 1 356.510 4.474 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000479466710 1112041869 /nfs/dbraw/zinc/04/18/69/1112041869.db2.gz SECMIBBATYRHGD-AEFFLSMTSA-N 2 1 372.484 4.016 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000479466710 1112041872 /nfs/dbraw/zinc/04/18/72/1112041872.db2.gz SECMIBBATYRHGD-AEFFLSMTSA-N 2 1 372.484 4.016 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4ccc(Cl)cc43)CC2)oc1C ZINC000479501835 1112048020 /nfs/dbraw/zinc/04/80/20/1112048020.db2.gz RUNRNFQUGWSCAQ-FQEVSTJZSA-N 2 1 373.928 4.434 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)[C@H](C)C1 ZINC000479525677 1112052473 /nfs/dbraw/zinc/05/24/73/1112052473.db2.gz IFIZLZVYNVTENJ-UIAACRFSSA-N 2 1 350.934 4.054 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479557908 1112071086 /nfs/dbraw/zinc/07/10/86/1112071086.db2.gz YTJGHOUKHDFSCM-LJQANCHMSA-N 2 1 367.537 4.359 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000479854583 1112163464 /nfs/dbraw/zinc/16/34/64/1112163464.db2.gz WBXRBLLYPNLINA-JOCHJYFZSA-N 2 1 350.506 4.463 20 0 FIADMP COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000554049918 1112175445 /nfs/dbraw/zinc/17/54/45/1112175445.db2.gz YDJVFMZEKIRKSW-IRXDYDNUSA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000554049918 1112175448 /nfs/dbraw/zinc/17/54/48/1112175448.db2.gz YDJVFMZEKIRKSW-IRXDYDNUSA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000554049918 1112175453 /nfs/dbraw/zinc/17/54/53/1112175453.db2.gz YDJVFMZEKIRKSW-IRXDYDNUSA-N 2 1 371.500 4.312 20 0 FIADMP CCc1ccc([C@H](CC)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479891730 1112187480 /nfs/dbraw/zinc/18/74/80/1112187480.db2.gz YIIJGLZHOPPUOG-QHCPKHFHSA-N 2 1 352.522 4.322 20 0 FIADMP CC(C)Oc1ccc([C@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000554086032 1112197900 /nfs/dbraw/zinc/19/79/00/1112197900.db2.gz SIXDPXUHIUPNGJ-QHCPKHFHSA-N 2 1 373.585 4.073 20 0 FIADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc(OCc2ccccn2)c1 ZINC000479969344 1112217295 /nfs/dbraw/zinc/21/72/95/1112217295.db2.gz WYSBBTAQINLIJZ-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000480148051 1112302395 /nfs/dbraw/zinc/30/23/95/1112302395.db2.gz PQIWXWQFOQNZJG-URXFXBBRSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000480148051 1112302399 /nfs/dbraw/zinc/30/23/99/1112302399.db2.gz PQIWXWQFOQNZJG-URXFXBBRSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000480148051 1112302405 /nfs/dbraw/zinc/30/24/05/1112302405.db2.gz PQIWXWQFOQNZJG-URXFXBBRSA-N 3 1 365.565 4.009 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)ccc1OC(F)F ZINC000480170800 1112315070 /nfs/dbraw/zinc/31/50/70/1112315070.db2.gz RHVLMIBQOCEFIC-OAHLLOKOSA-N 2 1 356.457 4.069 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC000480234556 1112343920 /nfs/dbraw/zinc/34/39/20/1112343920.db2.gz SCVHGKBTFZVFIX-YDIMBITNSA-N 2 1 364.533 4.381 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000480277624 1112370498 /nfs/dbraw/zinc/37/04/98/1112370498.db2.gz KXEPWGYQCRODMM-SFHVURJKSA-N 2 1 368.521 4.111 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000480277624 1112370503 /nfs/dbraw/zinc/37/05/03/1112370503.db2.gz KXEPWGYQCRODMM-SFHVURJKSA-N 2 1 368.521 4.111 20 0 FIADMP COC1(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCCCC1 ZINC000480375096 1112409526 /nfs/dbraw/zinc/40/95/26/1112409526.db2.gz FKBAJLXJDKOJQH-UHFFFAOYSA-N 2 1 356.510 4.351 20 0 FIADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000480469649 1112436214 /nfs/dbraw/zinc/43/62/14/1112436214.db2.gz CYWIZQMPTDGHMD-UHFFFAOYSA-N 2 1 363.292 4.268 20 0 FIADMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)CC(C)C ZINC000480525608 1112458158 /nfs/dbraw/zinc/45/81/58/1112458158.db2.gz LZKPQLFWEONRNO-FVRICEFQSA-N 2 1 371.569 4.165 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nnn1-c1ccc(C)cc1 ZINC000480612900 1112501044 /nfs/dbraw/zinc/50/10/44/1112501044.db2.gz ODDCVVXQHBKVJU-RTBURBONSA-N 2 1 369.557 4.189 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000480604875 1112505259 /nfs/dbraw/zinc/50/52/59/1112505259.db2.gz GCOFDOOYFDFTKW-CVEARBPZSA-N 2 1 352.494 4.148 20 0 FIADMP COc1cccc(CCC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000554852107 1112529762 /nfs/dbraw/zinc/52/97/62/1112529762.db2.gz RWEWZDVUXZRVCI-HXUWFJFHSA-N 2 1 372.578 4.452 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480741847 1112580725 /nfs/dbraw/zinc/58/07/25/1112580725.db2.gz BKRLXMMDDDZMCK-JCGIZDLHSA-N 2 1 358.917 4.112 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480741847 1112580729 /nfs/dbraw/zinc/58/07/29/1112580729.db2.gz BKRLXMMDDDZMCK-JCGIZDLHSA-N 2 1 358.917 4.112 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000481241244 1112823640 /nfs/dbraw/zinc/82/36/40/1112823640.db2.gz JZRKZDHLFZPZDN-HNAYVOBHSA-N 2 1 373.368 4.263 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)cc1F ZINC000481542404 1112973840 /nfs/dbraw/zinc/97/38/40/1112973840.db2.gz JKQLTHPXDAJMMK-YEJXKQKISA-N 2 1 353.416 4.482 20 0 FIADMP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000481555086 1112980520 /nfs/dbraw/zinc/98/05/20/1112980520.db2.gz CYKIYICWNPQSHI-RBUKOAKNSA-N 2 1 368.521 4.157 20 0 FIADMP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000481555086 1112980521 /nfs/dbraw/zinc/98/05/21/1112980521.db2.gz CYKIYICWNPQSHI-RBUKOAKNSA-N 2 1 368.521 4.157 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558556 1112981512 /nfs/dbraw/zinc/98/15/12/1112981512.db2.gz OHGCYZUPCRTBCP-AOMKIAJQSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558556 1112981514 /nfs/dbraw/zinc/98/15/14/1112981514.db2.gz OHGCYZUPCRTBCP-AOMKIAJQSA-N 2 1 370.924 4.338 20 0 FIADMP FC(F)(F)Oc1ccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000899874706 1113037448 /nfs/dbraw/zinc/03/74/48/1113037448.db2.gz JFZQEDPRACKMBC-STQMWFEESA-N 2 1 351.372 4.172 20 0 FIADMP C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000481717544 1113046843 /nfs/dbraw/zinc/04/68/43/1113046843.db2.gz KMHXLJSJUFHBMR-AWEZNQCLSA-N 2 1 350.865 4.270 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000481724323 1113055493 /nfs/dbraw/zinc/05/54/93/1113055493.db2.gz HCDHCLYXIZTPKB-CVDCTZTESA-N 2 1 359.517 4.278 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000481731887 1113059077 /nfs/dbraw/zinc/05/90/77/1113059077.db2.gz GCZOFFFLXXLBBV-PXNSSMCTSA-N 2 1 366.977 4.344 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556050757 1113126370 /nfs/dbraw/zinc/12/63/70/1113126370.db2.gz KKPTVVSFSHBPND-SSKFGXFMSA-N 2 1 351.494 4.131 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556050757 1113126374 /nfs/dbraw/zinc/12/63/74/1113126374.db2.gz KKPTVVSFSHBPND-SSKFGXFMSA-N 2 1 351.494 4.131 20 0 FIADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000481912896 1113130460 /nfs/dbraw/zinc/13/04/60/1113130460.db2.gz ZUVSHECCUVSKDZ-QHCPKHFHSA-N 2 1 364.533 4.421 20 0 FIADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000481947675 1113142368 /nfs/dbraw/zinc/14/23/68/1113142368.db2.gz NFGVAJLGMKAEGI-OYDLWJJNSA-N 2 1 365.565 4.098 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114837 1113178189 /nfs/dbraw/zinc/17/81/89/1113178189.db2.gz OSFJOUZEOJQTKB-VGSWGCGISA-N 2 1 365.496 4.350 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114837 1113178192 /nfs/dbraw/zinc/17/81/92/1113178192.db2.gz OSFJOUZEOJQTKB-VGSWGCGISA-N 2 1 365.496 4.350 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1Cl ZINC000482161283 1113188211 /nfs/dbraw/zinc/18/82/11/1113188211.db2.gz DNVKSHOHSHZDHD-XYJFISCASA-N 2 1 365.949 4.157 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000482212492 1113203033 /nfs/dbraw/zinc/20/30/33/1113203033.db2.gz QBTUTPFDEZZLMT-AUSIDOKSSA-N 2 1 364.533 4.197 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000482212492 1113203036 /nfs/dbraw/zinc/20/30/36/1113203036.db2.gz QBTUTPFDEZZLMT-AUSIDOKSSA-N 2 1 364.533 4.197 20 0 FIADMP CC(C)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCCc2cccnc21 ZINC000668003224 1113223606 /nfs/dbraw/zinc/22/36/06/1113223606.db2.gz LKJREJMFGCXUKN-OAQYLSRUSA-N 2 1 361.493 4.198 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000482438630 1113255283 /nfs/dbraw/zinc/25/52/83/1113255283.db2.gz MTPPNJBBWAZZIL-QUCCMNQESA-N 2 1 369.528 4.107 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482438994 1113259951 /nfs/dbraw/zinc/25/99/51/1113259951.db2.gz NWLQIUWJEUXNBY-FYYLOGMGSA-N 2 1 364.533 4.363 20 0 FIADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000482873127 1113385582 /nfs/dbraw/zinc/38/55/82/1113385582.db2.gz KELPWFXHHMLAIO-RTWAWAEBSA-N 2 1 372.578 4.167 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000482907817 1113396735 /nfs/dbraw/zinc/39/67/35/1113396735.db2.gz ZDWINZXQEXRWAC-OFNKIYASSA-N 2 1 366.549 4.313 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489871 1113577155 /nfs/dbraw/zinc/57/71/55/1113577155.db2.gz PFPCJMJRTUMCPP-XXBNENTESA-N 2 1 374.532 4.087 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717114 1113628234 /nfs/dbraw/zinc/62/82/34/1113628234.db2.gz MZQHMMYSCUNQFB-UZLBHIALSA-N 2 1 351.469 4.450 20 0 FIADMP C[C@H]1CSCC[N@@H+](Cc2ccccc2C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000488157973 1113864906 /nfs/dbraw/zinc/86/49/06/1113864906.db2.gz FVRNLBKSCUONJU-HDICACEKSA-N 2 1 364.624 4.056 20 0 FIADMP C[C@H]1CSCC[NH+](Cc2ccccc2C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000488157973 1113864912 /nfs/dbraw/zinc/86/49/12/1113864912.db2.gz FVRNLBKSCUONJU-HDICACEKSA-N 2 1 364.624 4.056 20 0 FIADMP C[C@H]1CSCC[NH+](Cc2ccccc2C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000488157973 1113864917 /nfs/dbraw/zinc/86/49/17/1113864917.db2.gz FVRNLBKSCUONJU-HDICACEKSA-N 2 1 364.624 4.056 20 0 FIADMP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000488458694 1113931927 /nfs/dbraw/zinc/93/19/27/1113931927.db2.gz KGXMBBXCCKBKAF-CQSZACIVSA-N 2 1 357.325 4.099 20 0 FIADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](CC3CC3)CC1)CCCC2 ZINC000489581481 1114135665 /nfs/dbraw/zinc/13/56/65/1114135665.db2.gz GJHQUOMFGNUOEK-JOCHJYFZSA-N 2 1 354.538 4.243 20 0 FIADMP CC[NH+]1CCC([N@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000490066965 1114212606 /nfs/dbraw/zinc/21/26/06/1114212606.db2.gz LCZSTIJAIGMZKX-UHFFFAOYSA-N 2 1 363.958 4.396 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000490066965 1114212612 /nfs/dbraw/zinc/21/26/12/1114212612.db2.gz LCZSTIJAIGMZKX-UHFFFAOYSA-N 2 1 363.958 4.396 20 0 FIADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OCc1cccs1 ZINC000490088875 1114217090 /nfs/dbraw/zinc/21/70/90/1114217090.db2.gz MOFNBPHGIVYGCE-QGZVFWFLSA-N 2 1 360.523 4.039 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000490120709 1114220492 /nfs/dbraw/zinc/22/04/92/1114220492.db2.gz WHTOZNPJXKEUIK-LLGFUMIMSA-N 2 1 371.500 4.071 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccccc1F ZINC000490131002 1114222001 /nfs/dbraw/zinc/22/20/01/1114222001.db2.gz RNRYONGSUQFMHE-HSZRJFAPSA-N 2 1 369.528 4.204 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168590 1114228198 /nfs/dbraw/zinc/22/81/98/1114228198.db2.gz XROWYGDDJJTBRX-HTAPYJJXSA-N 2 1 356.485 4.245 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168590 1114228205 /nfs/dbraw/zinc/22/82/05/1114228205.db2.gz XROWYGDDJJTBRX-HTAPYJJXSA-N 2 1 356.485 4.245 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)[C@@H](C)C2 ZINC000490191050 1114234691 /nfs/dbraw/zinc/23/46/91/1114234691.db2.gz PECHFMCTLKEJDG-AXHZCLLHSA-N 2 1 364.533 4.239 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)[C@@H](C)C2 ZINC000490191050 1114234693 /nfs/dbraw/zinc/23/46/93/1114234693.db2.gz PECHFMCTLKEJDG-AXHZCLLHSA-N 2 1 364.533 4.239 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)C1 ZINC000151135991 1114299845 /nfs/dbraw/zinc/29/98/45/1114299845.db2.gz MCZIQFHHLPOOFH-UONOGXRCSA-N 2 1 358.498 4.392 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490961372 1114356204 /nfs/dbraw/zinc/35/62/04/1114356204.db2.gz BRHDVZLQKYXIAV-GBXCKJPGSA-N 2 1 369.597 4.192 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000163892228 1114409849 /nfs/dbraw/zinc/40/98/49/1114409849.db2.gz MSJXUMIUVQRSCJ-KRWDZBQOSA-N 2 1 374.488 4.158 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001212145228 1114421894 /nfs/dbraw/zinc/42/18/94/1114421894.db2.gz OYMBHOSASDLVRY-INIZCTEOSA-N 2 1 373.888 4.106 20 0 FIADMP COc1ccc2cccc(-c3noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n3)c2c1 ZINC001212145623 1114434340 /nfs/dbraw/zinc/43/43/40/1114434340.db2.gz ZICDSZUNXVHYCQ-IBGZPJMESA-N 2 1 368.481 4.067 20 0 FIADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709500 1114601728 /nfs/dbraw/zinc/60/17/28/1114601728.db2.gz BZTILJMRGZXTHX-OAGGEKHMSA-N 2 1 368.924 4.361 20 0 FIADMP CCCc1nc(C)c(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000572487641 1114650011 /nfs/dbraw/zinc/65/00/11/1114650011.db2.gz MPPZPXAODJEZJE-QGZVFWFLSA-N 2 1 361.555 4.259 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000589640962 1114819089 /nfs/dbraw/zinc/81/90/89/1114819089.db2.gz AQUQWJODCSNOGT-GOSISDBHSA-N 2 1 362.521 4.238 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000589640962 1114819093 /nfs/dbraw/zinc/81/90/93/1114819093.db2.gz AQUQWJODCSNOGT-GOSISDBHSA-N 2 1 362.521 4.238 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)c1 ZINC000589837939 1114846967 /nfs/dbraw/zinc/84/69/67/1114846967.db2.gz KLFIVBMZYAHDRE-VXKWHMMOSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)c1 ZINC000589837939 1114846968 /nfs/dbraw/zinc/84/69/68/1114846968.db2.gz KLFIVBMZYAHDRE-VXKWHMMOSA-N 2 1 354.469 4.121 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000589950674 1114866680 /nfs/dbraw/zinc/86/66/80/1114866680.db2.gz BIGFOYBXRHEPBD-JOCHJYFZSA-N 2 1 371.569 4.009 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000589993896 1114872698 /nfs/dbraw/zinc/87/26/98/1114872698.db2.gz LPZAWTUFTOPPSH-OAQYLSRUSA-N 2 1 353.510 4.160 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000589993896 1114872701 /nfs/dbraw/zinc/87/27/01/1114872701.db2.gz LPZAWTUFTOPPSH-OAQYLSRUSA-N 2 1 353.510 4.160 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000589999855 1114873098 /nfs/dbraw/zinc/87/30/98/1114873098.db2.gz ZKPRVZZVOMHKTE-UHFFFAOYSA-N 2 1 356.485 4.049 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000590786933 1114974274 /nfs/dbraw/zinc/97/42/74/1114974274.db2.gz WFUKAUSWVOKKJZ-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841207 1115102310 /nfs/dbraw/zinc/10/23/10/1115102310.db2.gz LRXNLDSSDVLJLJ-IBGZPJMESA-N 2 1 361.530 4.340 20 0 FIADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841207 1115102314 /nfs/dbraw/zinc/10/23/14/1115102314.db2.gz LRXNLDSSDVLJLJ-IBGZPJMESA-N 2 1 361.530 4.340 20 0 FIADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841207 1115102317 /nfs/dbraw/zinc/10/23/17/1115102317.db2.gz LRXNLDSSDVLJLJ-IBGZPJMESA-N 2 1 361.530 4.340 20 0 FIADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841207 1115102319 /nfs/dbraw/zinc/10/23/19/1115102319.db2.gz LRXNLDSSDVLJLJ-IBGZPJMESA-N 2 1 361.530 4.340 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000480196529 1115271270 /nfs/dbraw/zinc/27/12/70/1115271270.db2.gz PJWKVTCEVNJIBX-OAHLLOKOSA-N 2 1 357.361 4.306 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000480196529 1115271273 /nfs/dbraw/zinc/27/12/73/1115271273.db2.gz PJWKVTCEVNJIBX-OAHLLOKOSA-N 2 1 357.361 4.306 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593685901 1115339317 /nfs/dbraw/zinc/33/93/17/1115339317.db2.gz BUCSQQXWCTTWPI-WOJBJXKFSA-N 2 1 358.526 4.021 20 0 FIADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000595023438 1115505092 /nfs/dbraw/zinc/50/50/92/1115505092.db2.gz YDJUODVUQIVOHI-HZPDHXFCSA-N 2 1 357.498 4.199 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000597225865 1115651002 /nfs/dbraw/zinc/65/10/02/1115651002.db2.gz MFVWZUREPPECDX-JOCHJYFZSA-N 2 1 373.585 4.040 20 0 FIADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614552 1115667781 /nfs/dbraw/zinc/66/77/81/1115667781.db2.gz YLSRVWJVXMPCTO-OFNKIYASSA-N 2 1 364.533 4.227 20 0 FIADMP CC[C@@H](C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[NH+](CC)CC ZINC000605425422 1115892470 /nfs/dbraw/zinc/89/24/70/1115892470.db2.gz QQSUQMIIAHDNNV-IBGZPJMESA-N 2 1 356.514 4.114 20 0 FIADMP Clc1cc(Cl)cc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000607735456 1116056380 /nfs/dbraw/zinc/05/63/80/1116056380.db2.gz VTYVMKKOHSEMDR-KRWDZBQOSA-N 2 1 357.325 4.323 20 0 FIADMP Clc1cc(Cl)cc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000607735456 1116056381 /nfs/dbraw/zinc/05/63/81/1116056381.db2.gz VTYVMKKOHSEMDR-KRWDZBQOSA-N 2 1 357.325 4.323 20 0 FIADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1 ZINC000608061463 1116079724 /nfs/dbraw/zinc/07/97/24/1116079724.db2.gz DZYBTZVTNFSIIU-AEFFLSMTSA-N 2 1 370.493 4.068 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061477 1116079777 /nfs/dbraw/zinc/07/97/77/1116079777.db2.gz FMQIQWJMYVKTHX-APWZRJJASA-N 2 1 358.913 4.491 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000608061243 1116079799 /nfs/dbraw/zinc/07/97/99/1116079799.db2.gz JBWNQVXVKUBLBM-KNQAVFIVSA-N 2 1 374.532 4.420 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509165 1116313757 /nfs/dbraw/zinc/31/37/57/1116313757.db2.gz YPCXXDFXVZXQCU-ZBEGNZNMSA-N 2 1 357.723 4.021 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000539740713 1116374134 /nfs/dbraw/zinc/37/41/34/1116374134.db2.gz HZFBRHANWCXYAY-QGZVFWFLSA-N 2 1 364.493 4.294 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539838255 1116386743 /nfs/dbraw/zinc/38/67/43/1116386743.db2.gz MWFBAKPKUZTLLJ-RDJZCZTQSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539838255 1116386744 /nfs/dbraw/zinc/38/67/44/1116386744.db2.gz MWFBAKPKUZTLLJ-RDJZCZTQSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000539838255 1116386746 /nfs/dbraw/zinc/38/67/46/1116386746.db2.gz MWFBAKPKUZTLLJ-RDJZCZTQSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000539838255 1116386748 /nfs/dbraw/zinc/38/67/48/1116386748.db2.gz MWFBAKPKUZTLLJ-RDJZCZTQSA-N 2 1 368.949 4.442 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000539861733 1116391876 /nfs/dbraw/zinc/39/18/76/1116391876.db2.gz BCQTVQMMFXWDHB-UHFFFAOYSA-N 2 1 373.566 4.133 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)CC1 ZINC000539861712 1116391932 /nfs/dbraw/zinc/39/19/32/1116391932.db2.gz JAKGFZCPNDCFMA-NRFANRHFSA-N 2 1 369.578 4.015 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Oc1cccc(Cl)c1 ZINC000462732781 1117739694 /nfs/dbraw/zinc/73/96/94/1117739694.db2.gz DVVRKKXMZZHGHT-QGZVFWFLSA-N 2 1 358.913 4.362 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000462788414 1117772387 /nfs/dbraw/zinc/77/23/87/1117772387.db2.gz APUCAJZZLQEFFD-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000462788414 1117772388 /nfs/dbraw/zinc/77/23/88/1117772388.db2.gz APUCAJZZLQEFFD-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)[C@H](C)C1 ZINC000540141167 1117893558 /nfs/dbraw/zinc/89/35/58/1117893558.db2.gz FIABDWFHQDPNLS-VGOFRKELSA-N 2 1 356.485 4.225 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000540170499 1117912750 /nfs/dbraw/zinc/91/27/50/1117912750.db2.gz ITRZJMXBZFVSLQ-OWCLPIDISA-N 2 1 358.448 4.245 20 0 FIADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000540174096 1117914173 /nfs/dbraw/zinc/91/41/73/1117914173.db2.gz JANLAGWJRHRHCT-OAQYLSRUSA-N 2 1 362.533 4.018 20 0 FIADMP CC(C)[C@@H](CNC1CC[NH+](C2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000540188423 1117920320 /nfs/dbraw/zinc/92/03/20/1117920320.db2.gz OLULPDIDSDGHET-XMMPIXPASA-N 2 1 369.597 4.066 20 0 FIADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000540188423 1117920323 /nfs/dbraw/zinc/92/03/23/1117920323.db2.gz OLULPDIDSDGHET-XMMPIXPASA-N 2 1 369.597 4.066 20 0 FIADMP Cc1ccc(OCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463114964 1117970977 /nfs/dbraw/zinc/97/09/77/1117970977.db2.gz VLKVYFZCSJRGTO-UHFFFAOYSA-N 2 1 352.522 4.061 20 0 FIADMP Fc1ccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCC2)cc1 ZINC000540299420 1117975336 /nfs/dbraw/zinc/97/53/36/1117975336.db2.gz FKEMEVHVNXYTFR-OAQYLSRUSA-N 2 1 360.517 4.292 20 0 FIADMP COCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000463121167 1117979044 /nfs/dbraw/zinc/97/90/44/1117979044.db2.gz ZZZFANTXNYQRHP-DYESRHJHSA-N 2 1 356.485 4.115 20 0 FIADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000463121167 1117979045 /nfs/dbraw/zinc/97/90/45/1117979045.db2.gz ZZZFANTXNYQRHP-DYESRHJHSA-N 2 1 356.485 4.115 20 0 FIADMP COCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000463121170 1117979128 /nfs/dbraw/zinc/97/91/28/1117979128.db2.gz ZZZFANTXNYQRHP-UWJYYQICSA-N 2 1 356.485 4.115 20 0 FIADMP COCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000463121170 1117979129 /nfs/dbraw/zinc/97/91/29/1117979129.db2.gz ZZZFANTXNYQRHP-UWJYYQICSA-N 2 1 356.485 4.115 20 0 FIADMP COCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000463121169 1117979172 /nfs/dbraw/zinc/97/91/72/1117979172.db2.gz ZZZFANTXNYQRHP-UTKZUKDTSA-N 2 1 356.485 4.115 20 0 FIADMP COCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000463121169 1117979175 /nfs/dbraw/zinc/97/91/75/1117979175.db2.gz ZZZFANTXNYQRHP-UTKZUKDTSA-N 2 1 356.485 4.115 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000463144969 1117982176 /nfs/dbraw/zinc/98/21/76/1117982176.db2.gz LMVLZUOFOYVBTG-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000463144969 1117982181 /nfs/dbraw/zinc/98/21/81/1117982181.db2.gz LMVLZUOFOYVBTG-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463132614 1117983481 /nfs/dbraw/zinc/98/34/81/1117983481.db2.gz SLZFKAAHHDAHAM-JTHBVZDNSA-N 3 1 357.586 4.285 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463132614 1117983482 /nfs/dbraw/zinc/98/34/82/1117983482.db2.gz SLZFKAAHHDAHAM-JTHBVZDNSA-N 3 1 357.586 4.285 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463155789 1117994848 /nfs/dbraw/zinc/99/48/48/1117994848.db2.gz PJAXBAAVRIAVDD-YLJYHZDGSA-N 2 1 356.485 4.367 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463155789 1117994851 /nfs/dbraw/zinc/99/48/51/1117994851.db2.gz PJAXBAAVRIAVDD-YLJYHZDGSA-N 2 1 356.485 4.367 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCc4ccccc43)CC2)cc1 ZINC000463168284 1118002752 /nfs/dbraw/zinc/00/27/52/1118002752.db2.gz YHGQYDRUGXMYSW-HXUWFJFHSA-N 2 1 352.497 4.152 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188881 1118007605 /nfs/dbraw/zinc/00/76/05/1118007605.db2.gz FKRDNPSABDVSFQ-OFNKIYASSA-N 2 1 374.532 4.323 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188881 1118007611 /nfs/dbraw/zinc/00/76/11/1118007611.db2.gz FKRDNPSABDVSFQ-OFNKIYASSA-N 2 1 374.532 4.323 20 0 FIADMP COc1ccc([C@H](C)CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463190674 1118008036 /nfs/dbraw/zinc/00/80/36/1118008036.db2.gz KOXVOIQVZMCXMF-HXUWFJFHSA-N 2 1 366.549 4.486 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cccs1 ZINC000463193315 1118009132 /nfs/dbraw/zinc/00/91/32/1118009132.db2.gz RTWKSFGRIHRJKE-QGZVFWFLSA-N 2 1 360.542 4.363 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000463253281 1118062842 /nfs/dbraw/zinc/06/28/42/1118062842.db2.gz CTDDITVRGJQKBY-UHFFFAOYSA-N 2 1 365.496 4.146 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279885 1118067324 /nfs/dbraw/zinc/06/73/24/1118067324.db2.gz KIIMKFKCLGHTJJ-OTUUDDROSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279885 1118067330 /nfs/dbraw/zinc/06/73/30/1118067330.db2.gz KIIMKFKCLGHTJJ-OTUUDDROSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279885 1118067331 /nfs/dbraw/zinc/06/73/31/1118067331.db2.gz KIIMKFKCLGHTJJ-OTUUDDROSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CCN1Cc1ccccc1 ZINC000540482644 1118081825 /nfs/dbraw/zinc/08/18/25/1118081825.db2.gz AXFIFSDFLDTXFF-NQIIRXRSSA-N 2 1 362.521 4.058 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000540482644 1118081826 /nfs/dbraw/zinc/08/18/26/1118081826.db2.gz AXFIFSDFLDTXFF-NQIIRXRSSA-N 2 1 362.521 4.058 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000540482644 1118081830 /nfs/dbraw/zinc/08/18/30/1118081830.db2.gz AXFIFSDFLDTXFF-NQIIRXRSSA-N 2 1 362.521 4.058 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000540982267 1118337134 /nfs/dbraw/zinc/33/71/34/1118337134.db2.gz VPKIGGDWARLZCJ-CQSZACIVSA-N 2 1 352.400 4.349 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000540982267 1118337137 /nfs/dbraw/zinc/33/71/37/1118337137.db2.gz VPKIGGDWARLZCJ-CQSZACIVSA-N 2 1 352.400 4.349 20 0 FIADMP CCc1ccc([C@@H](CC)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000540992088 1118341780 /nfs/dbraw/zinc/34/17/80/1118341780.db2.gz UVJQBSCUYXWKME-DNQXCXABSA-N 2 1 366.549 4.447 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000541215501 1118431065 /nfs/dbraw/zinc/43/10/65/1118431065.db2.gz DVNKLMSHNCLXKQ-URVUXULASA-N 2 1 368.569 4.285 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000541246784 1118445143 /nfs/dbraw/zinc/44/51/43/1118445143.db2.gz LERBBECHQVPVPY-UHFFFAOYSA-N 2 1 368.363 4.178 20 0 FIADMP C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464831350 1118715462 /nfs/dbraw/zinc/71/54/62/1118715462.db2.gz ACKVFBHQBXBGMZ-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464831350 1118715465 /nfs/dbraw/zinc/71/54/65/1118715465.db2.gz ACKVFBHQBXBGMZ-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464831350 1118715468 /nfs/dbraw/zinc/71/54/68/1118715468.db2.gz ACKVFBHQBXBGMZ-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP CSc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464846976 1118720286 /nfs/dbraw/zinc/72/02/86/1118720286.db2.gz KQOIMBOJSCMWCS-FQEVSTJZSA-N 2 1 370.562 4.241 20 0 FIADMP CSc1ccc(OCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000464846976 1118720288 /nfs/dbraw/zinc/72/02/88/1118720288.db2.gz KQOIMBOJSCMWCS-FQEVSTJZSA-N 2 1 370.562 4.241 20 0 FIADMP CSc1ccc(OCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000464846976 1118720292 /nfs/dbraw/zinc/72/02/92/1118720292.db2.gz KQOIMBOJSCMWCS-FQEVSTJZSA-N 2 1 370.562 4.241 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000541955275 1118721368 /nfs/dbraw/zinc/72/13/68/1118721368.db2.gz IMRJNPLESLBCAY-IAGOWNOFSA-N 2 1 362.477 4.167 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)CC1 ZINC000303036466 1118776520 /nfs/dbraw/zinc/77/65/20/1118776520.db2.gz RCHUUKQMPDXZRB-QHCPKHFHSA-N 2 1 358.570 4.080 20 0 FIADMP Clc1cccc(C2CC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)c1 ZINC000542138533 1118803937 /nfs/dbraw/zinc/80/39/37/1118803937.db2.gz KGYSWAICJUQCCM-UHFFFAOYSA-N 2 1 362.945 4.211 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000151672502 1118959756 /nfs/dbraw/zinc/95/97/56/1118959756.db2.gz FSYAEVCKSCLFNQ-LJQANCHMSA-N 2 1 360.505 4.188 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000492113413 1119027335 /nfs/dbraw/zinc/02/73/35/1119027335.db2.gz YNBDVHXEPCJOEJ-VGSWGCGISA-N 2 1 370.562 4.047 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442472 1119040841 /nfs/dbraw/zinc/04/08/41/1119040841.db2.gz FGIXZWGISZVWON-WJPUGNRLSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442472 1119040845 /nfs/dbraw/zinc/04/08/45/1119040845.db2.gz FGIXZWGISZVWON-WJPUGNRLSA-N 2 1 374.550 4.499 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1SC(F)F ZINC000152467477 1119322212 /nfs/dbraw/zinc/32/22/12/1119322212.db2.gz LJSOIKOKYZOFKG-OLZOCXBDSA-N 2 1 356.482 4.145 20 0 FIADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178134503 1119373209 /nfs/dbraw/zinc/37/32/09/1119373209.db2.gz VSMYYTMQGZMOCK-FGTMMUONSA-N 2 1 354.542 4.057 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493617 1119377005 /nfs/dbraw/zinc/37/70/05/1119377005.db2.gz KDEPGAVFBZOWDW-AUSIDOKSSA-N 2 1 350.506 4.184 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311859756 1119392685 /nfs/dbraw/zinc/39/26/85/1119392685.db2.gz UXICNPXCASZHOC-IPJJNNNSSA-N 2 1 352.522 4.126 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620576 1119398365 /nfs/dbraw/zinc/39/83/65/1119398365.db2.gz AWPBJKFFDHCRFF-PZJWPPBQSA-N 2 1 359.517 4.450 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620576 1119398381 /nfs/dbraw/zinc/39/83/81/1119398381.db2.gz AWPBJKFFDHCRFF-PZJWPPBQSA-N 2 1 359.517 4.450 20 0 FIADMP CCCc1csc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000494177103 1119551496 /nfs/dbraw/zinc/55/14/96/1119551496.db2.gz UNCODCHYXALAQJ-MJGOQNOKSA-N 2 1 357.567 4.486 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000182824546 1119560153 /nfs/dbraw/zinc/56/01/53/1119560153.db2.gz ZEXHAYQUWBAIFZ-ZBFHGGJFSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@H+]1C ZINC000182824546 1119560156 /nfs/dbraw/zinc/56/01/56/1119560156.db2.gz ZEXHAYQUWBAIFZ-ZBFHGGJFSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824546 1119560160 /nfs/dbraw/zinc/56/01/60/1119560160.db2.gz ZEXHAYQUWBAIFZ-ZBFHGGJFSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824546 1119560163 /nfs/dbraw/zinc/56/01/63/1119560163.db2.gz ZEXHAYQUWBAIFZ-ZBFHGGJFSA-N 2 1 363.958 4.395 20 0 FIADMP Cc1cccc(N2CCC([NH2+]CC3CCC(C(F)(F)F)CC3)CC2)[nH+]1 ZINC000183712421 1119580221 /nfs/dbraw/zinc/58/02/21/1119580221.db2.gz WQNJTLALVVSXIX-UHFFFAOYSA-N 2 1 355.448 4.317 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542477005 1119636260 /nfs/dbraw/zinc/63/62/60/1119636260.db2.gz AVUMZDCPNXEHDQ-AVRDEDQJSA-N 2 1 355.501 4.412 20 0 FIADMP CCCc1cccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000187235019 1119774105 /nfs/dbraw/zinc/77/41/05/1119774105.db2.gz OHBUDXOJTQMGDR-UHFFFAOYSA-N 2 1 355.526 4.246 20 0 FIADMP Cc1nc2ccc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cc2s1 ZINC000494340294 1119828136 /nfs/dbraw/zinc/82/81/36/1119828136.db2.gz RYNKNIUUVPHUBI-HXUWFJFHSA-N 2 1 365.546 4.259 20 0 FIADMP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000190952718 1119955645 /nfs/dbraw/zinc/95/56/45/1119955645.db2.gz NGXVYWLGLPOESQ-UHFFFAOYSA-N 2 1 374.573 4.257 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000191460575 1119978219 /nfs/dbraw/zinc/97/82/19/1119978219.db2.gz MBYHUTSWQHLPDB-DEOSSOPVSA-N 2 1 365.565 4.393 20 0 FIADMP C[C@H]1COCC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000192607871 1120070163 /nfs/dbraw/zinc/07/01/63/1120070163.db2.gz CANWTEBXYSOZCE-REWPJTCUSA-N 2 1 352.522 4.094 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000195132606 1120119664 /nfs/dbraw/zinc/11/96/64/1120119664.db2.gz TYQIFNHIGDIPTK-AZUAARDMSA-N 2 1 368.521 4.185 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494891610 1120358993 /nfs/dbraw/zinc/35/89/93/1120358993.db2.gz QLUSPRISNMCVPB-XQBPLPMBSA-N 2 1 362.533 4.395 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530228 1120408997 /nfs/dbraw/zinc/40/89/97/1120408997.db2.gz CPTICDNVQGKBEB-DZGCQCFKSA-N 2 1 369.322 4.331 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530228 1120408998 /nfs/dbraw/zinc/40/89/98/1120408998.db2.gz CPTICDNVQGKBEB-DZGCQCFKSA-N 2 1 369.322 4.331 20 0 FIADMP Clc1sc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000227907713 1120413543 /nfs/dbraw/zinc/41/35/43/1120413543.db2.gz MVKBIGPNZWLMLO-ZDUSSCGKSA-N 2 1 363.752 4.128 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ncc(Br)cc1F ZINC000250125581 1120477365 /nfs/dbraw/zinc/47/73/65/1120477365.db2.gz WCQOLIVQUUFHNC-UONOGXRCSA-N 2 1 372.326 4.146 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495422146 1120798807 /nfs/dbraw/zinc/79/88/07/1120798807.db2.gz YOZQLNHAXMDGHI-CDXJDZJCSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495422146 1120798814 /nfs/dbraw/zinc/79/88/14/1120798814.db2.gz YOZQLNHAXMDGHI-CDXJDZJCSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495422149 1120799403 /nfs/dbraw/zinc/79/94/03/1120799403.db2.gz YOZQLNHAXMDGHI-YRISNDGFSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495422149 1120799408 /nfs/dbraw/zinc/79/94/08/1120799408.db2.gz YOZQLNHAXMDGHI-YRISNDGFSA-N 2 1 354.469 4.150 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000495428798 1120804550 /nfs/dbraw/zinc/80/45/50/1120804550.db2.gz ZOGQLWCOQPYEQL-HWHRFOGPSA-N 2 1 358.570 4.470 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000495428798 1120804554 /nfs/dbraw/zinc/80/45/54/1120804554.db2.gz ZOGQLWCOQPYEQL-HWHRFOGPSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 ZINC000495431938 1120817440 /nfs/dbraw/zinc/81/74/40/1120817440.db2.gz GALCVQMOGDVRFX-JTAQYXEDSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000495443814 1120818299 /nfs/dbraw/zinc/81/82/99/1120818299.db2.gz FHZXCRXAFPTHML-JAXLGGSGSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)C[C@H](C)O1 ZINC000495547030 1120882091 /nfs/dbraw/zinc/88/20/91/1120882091.db2.gz KTJZRJXPKCGOMJ-GLDPYIMESA-N 2 1 364.533 4.463 20 0 FIADMP C[C@H]([NH2+]C1CCC(OC(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648818080 1121002850 /nfs/dbraw/zinc/00/28/50/1121002850.db2.gz KJWRZAKYXVSQOJ-XMZVIZOASA-N 2 1 352.469 4.037 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc2c(c1)CCO2 ZINC000153704070 1121036502 /nfs/dbraw/zinc/03/65/02/1121036502.db2.gz BSAPQVKILIIYEL-FQEVSTJZSA-N 2 1 365.452 4.496 20 0 FIADMP C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC001649048814 1121316820 /nfs/dbraw/zinc/31/68/20/1121316820.db2.gz ZZQYNTSRPSDYTG-PZJWPPBQSA-N 2 1 374.569 4.235 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H](c4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000123413964 1121509827 /nfs/dbraw/zinc/50/98/27/1121509827.db2.gz WJGPYBRUPCDHJY-RTWAWAEBSA-N 2 1 364.537 4.234 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763410965 1121579501 /nfs/dbraw/zinc/57/95/01/1121579501.db2.gz PRQMQCOFHUADGC-NNLJWKLDSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763410965 1121579509 /nfs/dbraw/zinc/57/95/09/1121579509.db2.gz PRQMQCOFHUADGC-NNLJWKLDSA-N 2 1 352.522 4.141 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000123908077 1121644637 /nfs/dbraw/zinc/64/46/37/1121644637.db2.gz UFXAFWUESLENKC-QGZVFWFLSA-N 2 1 356.510 4.315 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593539 1121710342 /nfs/dbraw/zinc/71/03/42/1121710342.db2.gz LHHILKRBXDCPTO-YADHBBJMSA-N 2 1 354.538 4.246 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593539 1121710348 /nfs/dbraw/zinc/71/03/48/1121710348.db2.gz LHHILKRBXDCPTO-YADHBBJMSA-N 2 1 354.538 4.246 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000124958968 1121734655 /nfs/dbraw/zinc/73/46/55/1121734655.db2.gz GXEXZRLHHNJPSA-CSODHUTKSA-N 2 1 369.509 4.091 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000124958968 1121734661 /nfs/dbraw/zinc/73/46/61/1121734661.db2.gz GXEXZRLHHNJPSA-CSODHUTKSA-N 2 1 369.509 4.091 20 0 FIADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000066046617 1121734855 /nfs/dbraw/zinc/73/48/55/1121734855.db2.gz NNRZPJFWNOAXDA-JOCHJYFZSA-N 2 1 365.521 4.160 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000671761457 1121790650 /nfs/dbraw/zinc/79/06/50/1121790650.db2.gz VDZKCPJRRYHFBK-AFXVXQJMSA-N 2 1 368.565 4.084 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC000125724435 1121816304 /nfs/dbraw/zinc/81/63/04/1121816304.db2.gz JUKPZXDQHUNNHO-LSDHHAIUSA-N 2 1 369.347 4.229 20 0 FIADMP Fc1ccccc1OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC001168603719 1121873832 /nfs/dbraw/zinc/87/38/32/1121873832.db2.gz HZVQTTQVKWKSTI-OAQYLSRUSA-N 2 1 356.485 4.411 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000917069746 1122075860 /nfs/dbraw/zinc/07/58/60/1122075860.db2.gz ZXLHCJLWKFPOJC-QHCPKHFHSA-N 2 1 354.538 4.317 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000127389985 1122089185 /nfs/dbraw/zinc/08/91/85/1122089185.db2.gz BBUMOMYEEDZGKO-LBPRGKRZSA-N 2 1 354.267 4.224 20 0 FIADMP COc1ccc([C@H]2C[C@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168616156 1122103962 /nfs/dbraw/zinc/10/39/62/1122103962.db2.gz LOCDVNJJSBKPGN-JWUVWSEFSA-N 2 1 358.526 4.040 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148474 1122196749 /nfs/dbraw/zinc/19/67/49/1122196749.db2.gz MMROEJMQVDPKEK-FUHWJXTLSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148474 1122196752 /nfs/dbraw/zinc/19/67/52/1122196752.db2.gz MMROEJMQVDPKEK-FUHWJXTLSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148474 1122196755 /nfs/dbraw/zinc/19/67/55/1122196755.db2.gz MMROEJMQVDPKEK-FUHWJXTLSA-N 2 1 374.916 4.054 20 0 FIADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000128183382 1122202384 /nfs/dbraw/zinc/20/23/84/1122202384.db2.gz KTZMTRLVMRHOAQ-ROUUACIJSA-N 2 1 353.510 4.149 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)ccc1SC ZINC000128197221 1122204013 /nfs/dbraw/zinc/20/40/13/1122204013.db2.gz DVOZXUOCILKVGM-MRXNPFEDSA-N 2 1 371.550 4.440 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000262667282 1122410238 /nfs/dbraw/zinc/41/02/38/1122410238.db2.gz KUKFMOXPYXAXCX-KGVIQGDOSA-N 2 1 365.521 4.336 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ccc(F)cn3)C(C)C)CC2)oc1C ZINC000497842156 1122434067 /nfs/dbraw/zinc/43/40/67/1122434067.db2.gz HJSLTTBATWHBMX-NRFANRHFSA-N 2 1 374.504 4.024 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000129476071 1122611122 /nfs/dbraw/zinc/61/11/22/1122611122.db2.gz USSXHEKNCDBXNQ-LLVKDONJSA-N 2 1 354.338 4.156 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000129476071 1122611124 /nfs/dbraw/zinc/61/11/24/1122611124.db2.gz USSXHEKNCDBXNQ-LLVKDONJSA-N 2 1 354.338 4.156 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556075627 1122638985 /nfs/dbraw/zinc/63/89/85/1122638985.db2.gz DCMAXIDPYWUDMO-VQTJNVASSA-N 2 1 366.505 4.118 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556075627 1122638987 /nfs/dbraw/zinc/63/89/87/1122638987.db2.gz DCMAXIDPYWUDMO-VQTJNVASSA-N 2 1 366.505 4.118 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000556093700 1122647581 /nfs/dbraw/zinc/64/75/81/1122647581.db2.gz KLCLANQIJBUZTQ-UXHICEINSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000556093700 1122647585 /nfs/dbraw/zinc/64/75/85/1122647585.db2.gz KLCLANQIJBUZTQ-UXHICEINSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094354 1122649074 /nfs/dbraw/zinc/64/90/74/1122649074.db2.gz SGNFWRTXHHFHHN-KBAYOESNSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094354 1122649075 /nfs/dbraw/zinc/64/90/75/1122649075.db2.gz SGNFWRTXHHFHHN-KBAYOESNSA-N 2 1 370.459 4.245 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000556119073 1122670070 /nfs/dbraw/zinc/67/00/70/1122670070.db2.gz OEPXDYHGEJNADG-GMAHTHKFSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000556119073 1122670073 /nfs/dbraw/zinc/67/00/73/1122670073.db2.gz OEPXDYHGEJNADG-GMAHTHKFSA-N 2 1 360.505 4.012 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000556215806 1122741734 /nfs/dbraw/zinc/74/17/34/1122741734.db2.gz GJRYTNIVNIBXQM-ROUUACIJSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000556215806 1122741738 /nfs/dbraw/zinc/74/17/38/1122741738.db2.gz GJRYTNIVNIBXQM-ROUUACIJSA-N 2 1 363.427 4.068 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000130165819 1122767345 /nfs/dbraw/zinc/76/73/45/1122767345.db2.gz GEKYWHCESGIEIE-CTNGQTDRSA-N 2 1 372.553 4.040 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000556257785 1122767733 /nfs/dbraw/zinc/76/77/33/1122767733.db2.gz MYLFEMPRFVYEBK-DYESRHJHSA-N 2 1 372.940 4.391 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000556257785 1122767734 /nfs/dbraw/zinc/76/77/34/1122767734.db2.gz MYLFEMPRFVYEBK-DYESRHJHSA-N 2 1 372.940 4.391 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130404037 1122842505 /nfs/dbraw/zinc/84/25/05/1122842505.db2.gz GJDVFRACSCNTNN-KBAYOESNSA-N 2 1 358.448 4.103 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130404037 1122842507 /nfs/dbraw/zinc/84/25/07/1122842507.db2.gz GJDVFRACSCNTNN-KBAYOESNSA-N 2 1 358.448 4.103 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000130549590 1122868250 /nfs/dbraw/zinc/86/82/50/1122868250.db2.gz REQHDZJQEFAOLK-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000498948001 1123100791 /nfs/dbraw/zinc/10/07/91/1123100791.db2.gz VFHXKTZFKRJNHJ-UHFFFAOYSA-N 2 1 360.914 4.334 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H]2CCC[C@@H]21 ZINC000556870151 1123151812 /nfs/dbraw/zinc/15/18/12/1123151812.db2.gz DAOWEFUOAKGFJA-YRXWBPOGSA-N 2 1 350.453 4.128 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1OC ZINC000514953090 1123152188 /nfs/dbraw/zinc/15/21/88/1123152188.db2.gz AQROWPSJBNPKQG-VQTJNVASSA-N 2 1 354.494 4.019 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1OC ZINC000514953090 1123152191 /nfs/dbraw/zinc/15/21/91/1123152191.db2.gz AQROWPSJBNPKQG-VQTJNVASSA-N 2 1 354.494 4.019 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000556872095 1123155285 /nfs/dbraw/zinc/15/52/85/1123155285.db2.gz OKNDDGLKFDNTHU-YUXAGFNASA-N 2 1 353.510 4.017 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000556872095 1123155287 /nfs/dbraw/zinc/15/52/87/1123155287.db2.gz OKNDDGLKFDNTHU-YUXAGFNASA-N 2 1 353.510 4.017 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556890430 1123176596 /nfs/dbraw/zinc/17/65/96/1123176596.db2.gz LKHDNBQLJQVCJZ-FMTHBJFDSA-N 2 1 370.581 4.472 20 0 FIADMP CC(C)OCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556891905 1123179625 /nfs/dbraw/zinc/17/96/25/1123179625.db2.gz HHVRNECLRFAXGC-DNVJHFABSA-N 2 1 358.570 4.472 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4(c5ccccn5)CCC4)[C@@H]3C2)cc1 ZINC000556925575 1123226352 /nfs/dbraw/zinc/22/63/52/1123226352.db2.gz VGDWAZLWPUJYIH-BHDDXSALSA-N 2 1 361.533 4.004 20 0 FIADMP CCC(CC)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000499146320 1123288054 /nfs/dbraw/zinc/28/80/54/1123288054.db2.gz KUOQYSVYUBGFKU-KAOXLYBCSA-N 2 1 357.586 4.138 20 0 FIADMP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000499148765 1123293266 /nfs/dbraw/zinc/29/32/66/1123293266.db2.gz DOJJNUPSXXVEJD-MRWXXAKJSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000499148765 1123293272 /nfs/dbraw/zinc/29/32/72/1123293272.db2.gz DOJJNUPSXXVEJD-MRWXXAKJSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000499148765 1123293279 /nfs/dbraw/zinc/29/32/79/1123293279.db2.gz DOJJNUPSXXVEJD-MRWXXAKJSA-N 2 1 355.570 4.035 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499196130 1123315458 /nfs/dbraw/zinc/31/54/58/1123315458.db2.gz RGVQFYGICYSSBU-ISHFTEKXSA-N 2 1 362.517 4.468 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C ZINC000499252297 1123360475 /nfs/dbraw/zinc/36/04/75/1123360475.db2.gz OZNBQVSTYVVRGW-WBDAEOGXSA-N 2 1 364.533 4.331 20 0 FIADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(C)nn(C)c1C ZINC000499245970 1123363309 /nfs/dbraw/zinc/36/33/09/1123363309.db2.gz BQVRPDHXXTYRTJ-LRSLUSHPSA-N 2 1 366.553 4.273 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000152640315 1123448972 /nfs/dbraw/zinc/44/89/72/1123448972.db2.gz FKHXPLGPUBIXLD-XMSQKQJNSA-N 2 1 350.506 4.165 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCCSc2ccccc2Br)CC[N@H+]1C ZINC000133419773 1123485884 /nfs/dbraw/zinc/48/58/84/1123485884.db2.gz VQMSTUMUBOUYCH-LSDHHAIUSA-N 2 1 371.388 4.394 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000237185793 1123601595 /nfs/dbraw/zinc/60/15/95/1123601595.db2.gz AQRMMSKXIYHYFW-WOJBJXKFSA-N 2 1 373.928 4.276 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237186596 1123601862 /nfs/dbraw/zinc/60/18/62/1123601862.db2.gz QDEOZCLROIEXLO-VQTJNVASSA-N 2 1 374.960 4.164 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000080339104 1123963272 /nfs/dbraw/zinc/96/32/72/1123963272.db2.gz NJRHKRHPRCUNHM-OXQOHEQNSA-N 2 1 364.493 4.121 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(CO)c1 ZINC000245549866 1124118024 /nfs/dbraw/zinc/11/80/24/1124118024.db2.gz GYZATURYCFVEKU-RTBURBONSA-N 2 1 352.522 4.262 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000245624425 1124148875 /nfs/dbraw/zinc/14/88/75/1124148875.db2.gz PQUFWWGVJLYTOD-QQXMDYFESA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000245624425 1124148878 /nfs/dbraw/zinc/14/88/78/1124148878.db2.gz PQUFWWGVJLYTOD-QQXMDYFESA-N 2 1 360.567 4.068 20 0 FIADMP COc1ccccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245689300 1124201238 /nfs/dbraw/zinc/20/12/38/1124201238.db2.gz KBBYHZGCHCPMMX-DKUWSORSSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000245738052 1124231969 /nfs/dbraw/zinc/23/19/69/1124231969.db2.gz RCPYBGDKNOFTEY-IWDBHXEASA-N 2 1 362.517 4.336 20 0 FIADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750861 1124239006 /nfs/dbraw/zinc/23/90/06/1124239006.db2.gz UBMYHFBZHNPFMH-GPJHCHHRSA-N 2 1 350.506 4.159 20 0 FIADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750861 1124239014 /nfs/dbraw/zinc/23/90/14/1124239014.db2.gz UBMYHFBZHNPFMH-GPJHCHHRSA-N 2 1 350.506 4.159 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245991992 1124305544 /nfs/dbraw/zinc/30/55/44/1124305544.db2.gz QVFJOSZFAHPMJQ-OXQOHEQNSA-N 2 1 360.448 4.309 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245991992 1124305553 /nfs/dbraw/zinc/30/55/53/1124305553.db2.gz QVFJOSZFAHPMJQ-OXQOHEQNSA-N 2 1 360.448 4.309 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246316855 1124443305 /nfs/dbraw/zinc/44/33/05/1124443305.db2.gz FAEZXDOOQXNMOI-KBXCAEBGSA-N 2 1 363.958 4.326 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-c2ccccc2)o1 ZINC000246405554 1124488023 /nfs/dbraw/zinc/48/80/23/1124488023.db2.gz MAUNSHVWGWNWHQ-DZFGPLHGSA-N 2 1 368.521 4.365 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC000246976176 1124578048 /nfs/dbraw/zinc/57/80/48/1124578048.db2.gz JUKPZXDQHUNNHO-HUUCEWRRSA-N 2 1 369.347 4.229 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(OC)cc1 ZINC000247127528 1124592294 /nfs/dbraw/zinc/59/22/94/1124592294.db2.gz RNFGIGRISJYMHY-FDDCHVKYSA-N 2 1 368.521 4.157 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(OC)cc1 ZINC000247127528 1124592298 /nfs/dbraw/zinc/59/22/98/1124592298.db2.gz RNFGIGRISJYMHY-FDDCHVKYSA-N 2 1 368.521 4.157 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000247177514 1124596062 /nfs/dbraw/zinc/59/60/62/1124596062.db2.gz SWCXFEUAANDTLB-FCCDEINASA-N 2 1 364.496 4.082 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247183235 1124598051 /nfs/dbraw/zinc/59/80/51/1124598051.db2.gz VHAUQHVAIAGUQI-SVMVAKDDSA-N 2 1 366.553 4.065 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247272050 1124614551 /nfs/dbraw/zinc/61/45/51/1124614551.db2.gz YDOFJISGHKOPGH-NZQKXSOJSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247272050 1124614555 /nfs/dbraw/zinc/61/45/55/1124614555.db2.gz YDOFJISGHKOPGH-NZQKXSOJSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247272050 1124614561 /nfs/dbraw/zinc/61/45/61/1124614561.db2.gz YDOFJISGHKOPGH-NZQKXSOJSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247272050 1124614570 /nfs/dbraw/zinc/61/45/70/1124614570.db2.gz YDOFJISGHKOPGH-NZQKXSOJSA-N 2 1 365.496 4.336 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2sc(C(C)C)nc2C)[C@H](C)C1 ZINC000248150224 1124746704 /nfs/dbraw/zinc/74/67/04/1124746704.db2.gz QQYWSAHJQLCONK-NUJGCVRESA-N 2 1 367.603 4.363 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2sc(C(C)C)nc2C)[C@H](C)C1 ZINC000248150224 1124746710 /nfs/dbraw/zinc/74/67/10/1124746710.db2.gz QQYWSAHJQLCONK-NUJGCVRESA-N 2 1 367.603 4.363 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152681 1124747693 /nfs/dbraw/zinc/74/76/93/1124747693.db2.gz QXOKNLLGGJDSOO-DKICVRJWSA-N 2 1 358.507 4.211 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152681 1124747698 /nfs/dbraw/zinc/74/76/98/1124747698.db2.gz QXOKNLLGGJDSOO-DKICVRJWSA-N 2 1 358.507 4.211 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248161992 1124747734 /nfs/dbraw/zinc/74/77/34/1124747734.db2.gz SGYHSOYJXZZQMG-APWZRJJASA-N 2 1 373.566 4.006 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000248432109 1124767117 /nfs/dbraw/zinc/76/71/17/1124767117.db2.gz CNMVMILHGIRBSW-IRLDBZIGSA-N 2 1 370.562 4.336 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@H]1c1cccs1 ZINC000248665857 1124800973 /nfs/dbraw/zinc/80/09/73/1124800973.db2.gz MPTCGDYRKNHFTC-UGKGYDQZSA-N 2 1 370.562 4.288 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@H]1c1cccs1 ZINC000248665857 1124800979 /nfs/dbraw/zinc/80/09/79/1124800979.db2.gz MPTCGDYRKNHFTC-UGKGYDQZSA-N 2 1 370.562 4.288 20 0 FIADMP c1ccc(C[N@@H+]2CCCO[C@H](CN[C@H]3CCSc4ccccc43)C2)cc1 ZINC000248744928 1124808436 /nfs/dbraw/zinc/80/84/36/1124808436.db2.gz FHYUHVLWIDXNBR-CTNGQTDRSA-N 2 1 368.546 4.104 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000249341975 1124854788 /nfs/dbraw/zinc/85/47/88/1124854788.db2.gz DOERPFFXKBJUNF-LJQANCHMSA-N 2 1 366.553 4.059 20 0 FIADMP C/C(=C/c1ccccc1)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000111412414 1124900614 /nfs/dbraw/zinc/90/06/14/1124900614.db2.gz XTUGKBJDONXLMD-LGMDPLHJSA-N 2 1 353.510 4.197 20 0 FIADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000076109725 1124959719 /nfs/dbraw/zinc/95/97/19/1124959719.db2.gz CMRXNWRXYCMKHP-HXUWFJFHSA-N 2 1 370.562 4.371 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000076109725 1124959724 /nfs/dbraw/zinc/95/97/24/1124959724.db2.gz CMRXNWRXYCMKHP-HXUWFJFHSA-N 2 1 370.562 4.371 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000076109725 1124959725 /nfs/dbraw/zinc/95/97/25/1124959725.db2.gz CMRXNWRXYCMKHP-HXUWFJFHSA-N 2 1 370.562 4.371 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000076109725 1124959729 /nfs/dbraw/zinc/95/97/29/1124959729.db2.gz CMRXNWRXYCMKHP-HXUWFJFHSA-N 2 1 370.562 4.371 20 0 FIADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000310897686 1125079123 /nfs/dbraw/zinc/07/91/23/1125079123.db2.gz MDKUPGTUWCQAHO-IBGZPJMESA-N 2 1 358.913 4.350 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000618283293 1125131628 /nfs/dbraw/zinc/13/16/28/1125131628.db2.gz GVXNMXXYRKXOMD-NRFANRHFSA-N 2 1 369.578 4.015 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000093370240 1125316081 /nfs/dbraw/zinc/31/60/81/1125316081.db2.gz XPLDNXUHETXOSS-QFIPXVFZSA-N 2 1 368.521 4.077 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ncc(Br)cc1F ZINC000187010848 568044572 /nfs/dbraw/zinc/04/45/72/568044572.db2.gz WCQOLIVQUUFHNC-KGLIPLIRSA-N 2 1 372.326 4.146 20 0 FIADMP Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1Oc1ccncc1 ZINC000604307414 568247675 /nfs/dbraw/zinc/24/76/75/568247675.db2.gz FYSIHPXZZLRPTK-GOSISDBHSA-N 2 1 367.493 4.177 20 0 FIADMP Cc1noc(C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2ccccc2)n1 ZINC000365291815 568423915 /nfs/dbraw/zinc/42/39/15/568423915.db2.gz UYQNZUZYONQIAQ-OAQYLSRUSA-N 2 1 368.525 4.049 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909644 568533568 /nfs/dbraw/zinc/53/35/68/568533568.db2.gz NOUMSKDDBDWEPD-CRAIPNDOSA-N 2 1 364.942 4.343 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606156644 568676800 /nfs/dbraw/zinc/67/68/00/568676800.db2.gz JCXDQGOTYLUUAH-UHFFFAOYSA-N 2 1 374.326 4.452 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](C2CCCC2)CC1 ZINC000606156644 568676802 /nfs/dbraw/zinc/67/68/02/568676802.db2.gz JCXDQGOTYLUUAH-UHFFFAOYSA-N 2 1 374.326 4.452 20 0 FIADMP Cc1cc2[nH]ccc2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164995521 722202053 /nfs/dbraw/zinc/20/20/53/722202053.db2.gz NYCROGQOYDDIRW-JOCHJYFZSA-N 2 1 364.468 4.255 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101411 1125747042 /nfs/dbraw/zinc/74/70/42/1125747042.db2.gz VUXUNZYCZJWJEN-ZIAGYGMSSA-N 2 1 358.498 4.478 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101411 1125747047 /nfs/dbraw/zinc/74/70/47/1125747047.db2.gz VUXUNZYCZJWJEN-ZIAGYGMSSA-N 2 1 358.498 4.478 20 0 FIADMP Cc1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001648785949 1079583378 /nfs/dbraw/zinc/58/33/78/1079583378.db2.gz NCEKPRJJHFRPGE-HDICACEKSA-N 2 1 356.485 4.033 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546627 1079663529 /nfs/dbraw/zinc/66/35/29/1079663529.db2.gz RWSZXMCQLRDWOE-SWLSCSKDSA-N 2 1 355.309 4.471 20 0 FIADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cccc(Cl)c1 ZINC000643546938 1079667083 /nfs/dbraw/zinc/66/70/83/1079667083.db2.gz WYTZBRSJJWRSHQ-RHSMWYFYSA-N 2 1 358.917 4.159 20 0 FIADMP CCOc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463168811 1080024773 /nfs/dbraw/zinc/02/47/73/1080024773.db2.gz ZESMXJGWCRAJIN-UHFFFAOYSA-N 2 1 370.512 4.064 20 0 FIADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533409045 1080124407 /nfs/dbraw/zinc/12/44/07/1080124407.db2.gz QDAAOPGQCWBZTH-INIZCTEOSA-N 2 1 365.949 4.028 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827440 1080139075 /nfs/dbraw/zinc/13/90/75/1080139075.db2.gz JZTQTQHXCUQOAC-HNNXBMFYSA-N 2 1 363.958 4.254 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827440 1080139079 /nfs/dbraw/zinc/13/90/79/1080139079.db2.gz JZTQTQHXCUQOAC-HNNXBMFYSA-N 2 1 363.958 4.254 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827440 1080139084 /nfs/dbraw/zinc/13/90/84/1080139084.db2.gz JZTQTQHXCUQOAC-HNNXBMFYSA-N 2 1 363.958 4.254 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827440 1080139088 /nfs/dbraw/zinc/13/90/88/1080139088.db2.gz JZTQTQHXCUQOAC-HNNXBMFYSA-N 2 1 363.958 4.254 20 0 FIADMP CC[NH+](CC)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000180156228 1080462007 /nfs/dbraw/zinc/46/20/07/1080462007.db2.gz VHNJLZXGSYJJOS-IBGZPJMESA-N 2 1 371.491 4.076 20 0 FIADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1sc2ccccc2c1Br ZINC001206811578 1080498624 /nfs/dbraw/zinc/49/86/24/1080498624.db2.gz WDZPAMGOGCHWIG-NEPJUHHUSA-N 2 1 353.329 4.223 20 0 FIADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Br ZINC001206811578 1080498626 /nfs/dbraw/zinc/49/86/26/1080498626.db2.gz WDZPAMGOGCHWIG-NEPJUHHUSA-N 2 1 353.329 4.223 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4cc(C)ccc4C[C@H]3C)CC2)oc1C ZINC000180524319 1080508791 /nfs/dbraw/zinc/50/87/91/1080508791.db2.gz NIJRDRYBMWGWQZ-MWTRTKDXSA-N 2 1 367.537 4.335 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC001648795412 1080794597 /nfs/dbraw/zinc/79/45/97/1080794597.db2.gz OGUORQJEHUUYKZ-HGSOSGBHSA-N 2 1 356.554 4.356 20 0 FIADMP Cc1nc(-c2ccc([C@H](C)NCc3ncc(C[NH+](C)C)s3)cc2)cs1 ZINC000510270919 1080968443 /nfs/dbraw/zinc/96/84/43/1080968443.db2.gz UEFJROGSNHNEHU-ZDUSSCGKSA-N 2 1 372.563 4.487 20 0 FIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(Br)c2)CC1 ZINC001167284310 1080998154 /nfs/dbraw/zinc/99/81/54/1080998154.db2.gz UWJHLGKKATUZIY-UHFFFAOYSA-N 2 1 359.739 4.407 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Br)c2)CC1 ZINC001167284310 1080998156 /nfs/dbraw/zinc/99/81/56/1080998156.db2.gz UWJHLGKKATUZIY-UHFFFAOYSA-N 2 1 359.739 4.407 20 0 FIADMP Cc1ccc([C@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703812 1081125729 /nfs/dbraw/zinc/12/57/29/1081125729.db2.gz LURRSRRLPPAJLY-ISKFKSNPSA-N 2 1 364.533 4.236 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC001648811443 1081126793 /nfs/dbraw/zinc/12/67/93/1081126793.db2.gz NXKCKGNBBGCZSW-IYBDPMFKSA-N 2 1 361.480 4.361 20 0 FIADMP c1ccc(SC2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655710446 1081129018 /nfs/dbraw/zinc/12/90/18/1081129018.db2.gz BDEXCEQRBRGYIJ-FQEVSTJZSA-N 2 1 374.594 4.325 20 0 FIADMP CCCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000655709178 1081129304 /nfs/dbraw/zinc/12/93/04/1081129304.db2.gz UNAGIVJDNZXWEM-FCHUYYIVSA-N 2 1 360.542 4.160 20 0 FIADMP c1ccc(Sc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000655734934 1081157160 /nfs/dbraw/zinc/15/71/60/1081157160.db2.gz PSTVFXSZNQZDJA-FQEVSTJZSA-N 2 1 368.546 4.181 20 0 FIADMP Cc1cccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000655754128 1081172032 /nfs/dbraw/zinc/17/20/32/1081172032.db2.gz MCIQFJLSLRORCM-QHCPKHFHSA-N 2 1 350.506 4.005 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1-c1ccccc1 ZINC000655755467 1081175536 /nfs/dbraw/zinc/17/55/36/1081175536.db2.gz BWONCKRUKWBCSM-QFIPXVFZSA-N 2 1 350.506 4.005 20 0 FIADMP COc1ccc(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690477 1081388569 /nfs/dbraw/zinc/38/85/69/1081388569.db2.gz JHYXAMNNBMFIKD-DKUWSORSSA-N 2 1 350.506 4.289 20 0 FIADMP COc1ccc(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690477 1081388575 /nfs/dbraw/zinc/38/85/75/1081388575.db2.gz JHYXAMNNBMFIKD-DKUWSORSSA-N 2 1 350.506 4.289 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2OCCc4ccccc42)C3)cc1 ZINC000683692375 1081390747 /nfs/dbraw/zinc/39/07/47/1081390747.db2.gz PQIIPDWDWGNWIU-KHUIQGCPSA-N 2 1 362.517 4.086 20 0 FIADMP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000569331162 1081903582 /nfs/dbraw/zinc/90/35/82/1081903582.db2.gz IVKRVUOBFZCBJG-QGZVFWFLSA-N 2 1 368.525 4.203 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4c(C)ccc(C)c43)CC2)nc(C)[nH+]1 ZINC000471596614 1082026084 /nfs/dbraw/zinc/02/60/84/1082026084.db2.gz BIYCOHQLZOLZCB-OAQYLSRUSA-N 2 1 364.537 4.346 20 0 FIADMP C[NH2+]CCc1ccccc1C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000580837796 1082182824 /nfs/dbraw/zinc/18/28/24/1082182824.db2.gz ZTINUYZKJZBQFJ-UHFFFAOYSA-N 2 1 365.521 4.063 20 0 FIADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000581498845 1082621755 /nfs/dbraw/zinc/62/17/55/1082621755.db2.gz LKRDZVALCPUGSQ-UHFFFAOYSA-N 2 1 364.942 4.005 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000581549008 1082655678 /nfs/dbraw/zinc/65/56/78/1082655678.db2.gz KSUNHFSDCBWSID-DOTOQJQBSA-N 2 1 365.477 4.063 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000581549008 1082655687 /nfs/dbraw/zinc/65/56/87/1082655687.db2.gz KSUNHFSDCBWSID-DOTOQJQBSA-N 2 1 365.477 4.063 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171286 1082772480 /nfs/dbraw/zinc/77/24/80/1082772480.db2.gz DWSYSRXXEMEJEB-GMAHTHKFSA-N 2 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171286 1082772485 /nfs/dbraw/zinc/77/24/85/1082772485.db2.gz DWSYSRXXEMEJEB-GMAHTHKFSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171286 1082772491 /nfs/dbraw/zinc/77/24/91/1082772491.db2.gz DWSYSRXXEMEJEB-GMAHTHKFSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171286 1082772497 /nfs/dbraw/zinc/77/24/97/1082772497.db2.gz DWSYSRXXEMEJEB-GMAHTHKFSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171286 1082772501 /nfs/dbraw/zinc/77/25/01/1082772501.db2.gz DWSYSRXXEMEJEB-GMAHTHKFSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC[N@H+]1C ZINC000647186123 1082940682 /nfs/dbraw/zinc/94/06/82/1082940682.db2.gz CVRJZXHPDMJGKL-BEFAXECRSA-N 2 1 360.448 4.116 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000510739275 1083288801 /nfs/dbraw/zinc/28/88/01/1083288801.db2.gz XBLLKBYCOVIBGQ-OKZBNKHCSA-N 2 1 350.934 4.412 20 0 FIADMP CN(c1ccccc1CNc1cc(C2CC2)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000518623527 1083323530 /nfs/dbraw/zinc/32/35/30/1083323530.db2.gz MLTHRJHXQAMCLH-UHFFFAOYSA-N 2 1 350.510 4.102 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253550 1083367621 /nfs/dbraw/zinc/36/76/21/1083367621.db2.gz FZBFSQDMFIJSQN-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253550 1083367625 /nfs/dbraw/zinc/36/76/25/1083367625.db2.gz FZBFSQDMFIJSQN-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253550 1083367635 /nfs/dbraw/zinc/36/76/35/1083367635.db2.gz FZBFSQDMFIJSQN-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1 ZINC000510902017 1083370023 /nfs/dbraw/zinc/37/00/23/1083370023.db2.gz XAQQXSMKHQXDLL-UHFFFAOYSA-N 2 1 362.477 4.357 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCC4(CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658318917 1083406414 /nfs/dbraw/zinc/40/64/14/1083406414.db2.gz UXEGCWXXHFVRBI-YNEXMFEJSA-N 2 1 368.565 4.370 20 0 FIADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3c(O)cccc23)[C@@H]1c1cccs1 ZINC000684575265 1083458236 /nfs/dbraw/zinc/45/82/36/1083458236.db2.gz GHFPTTIELDHMRQ-VBKZILBWSA-N 2 1 353.491 4.497 20 0 FIADMP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000548483604 1083466507 /nfs/dbraw/zinc/46/65/07/1083466507.db2.gz VLXBSXCSTKXHLL-XLIONFOSSA-N 2 1 356.485 4.225 20 0 FIADMP CC(=O)Nc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000093844542 1083500904 /nfs/dbraw/zinc/50/09/04/1083500904.db2.gz YHJQSTZFHAEVDM-GOSISDBHSA-N 2 1 357.542 4.122 20 0 FIADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000510979649 1083555716 /nfs/dbraw/zinc/55/57/16/1083555716.db2.gz PEUOTLKYSBOINO-INIZCTEOSA-N 2 1 354.267 4.224 20 0 FIADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000535808496 1083693432 /nfs/dbraw/zinc/69/34/32/1083693432.db2.gz IKYBXVNTYPRJTK-RBBKRZOGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535808496 1083693443 /nfs/dbraw/zinc/69/34/43/1083693443.db2.gz IKYBXVNTYPRJTK-RBBKRZOGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000535808496 1083693450 /nfs/dbraw/zinc/69/34/50/1083693450.db2.gz IKYBXVNTYPRJTK-RBBKRZOGSA-N 2 1 360.505 4.049 20 0 FIADMP Cc1cnn(CCCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000548932287 1083836184 /nfs/dbraw/zinc/83/61/84/1083836184.db2.gz YQCYDJBIXMGNDW-JOCHJYFZSA-N 2 1 368.569 4.252 20 0 FIADMP Cc1cnn(CCCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000548932287 1083836197 /nfs/dbraw/zinc/83/61/97/1083836197.db2.gz YQCYDJBIXMGNDW-JOCHJYFZSA-N 2 1 368.569 4.252 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000511038155 1084308148 /nfs/dbraw/zinc/30/81/48/1084308148.db2.gz NVPPVOLTAXCSGU-COPCDDAFSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000511038155 1084308159 /nfs/dbraw/zinc/30/81/59/1084308159.db2.gz NVPPVOLTAXCSGU-COPCDDAFSA-N 2 1 350.506 4.023 20 0 FIADMP CC1CC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431730526 1084322241 /nfs/dbraw/zinc/32/22/41/1084322241.db2.gz VQUJZRQDXJTLJA-NRFANRHFSA-N 2 1 357.542 4.122 20 0 FIADMP CCCC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000158861656 1084376445 /nfs/dbraw/zinc/37/64/45/1084376445.db2.gz IYBAFXOKKZUANW-UHFFFAOYSA-N 2 1 357.542 4.312 20 0 FIADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055559 1084377846 /nfs/dbraw/zinc/37/78/46/1084377846.db2.gz CQORJYUSHVHLJY-ZWKOTPCHSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055559 1084377855 /nfs/dbraw/zinc/37/78/55/1084377855.db2.gz CQORJYUSHVHLJY-ZWKOTPCHSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055559 1084377868 /nfs/dbraw/zinc/37/78/68/1084377868.db2.gz CQORJYUSHVHLJY-ZWKOTPCHSA-N 2 1 352.526 4.055 20 0 FIADMP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000511052423 1084417632 /nfs/dbraw/zinc/41/76/32/1084417632.db2.gz UZLCUECAAOHOEM-NRFANRHFSA-N 2 1 353.441 4.109 20 0 FIADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000657312352 1084450877 /nfs/dbraw/zinc/45/08/77/1084450877.db2.gz GXMZSRFSWCDTGV-OALUTQOASA-N 2 1 354.542 4.061 20 0 FIADMP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414167119 1084727211 /nfs/dbraw/zinc/72/72/11/1084727211.db2.gz FXESSFSJADIMPK-VLXBDIDVSA-N 2 1 350.481 4.467 20 0 FIADMP CCc1cccc2cc(C[NH2+]Cc3ccncc3OCCC[NH+](C)C)oc21 ZINC000657468026 1085145847 /nfs/dbraw/zinc/14/58/47/1085145847.db2.gz AYUSHUMYJVHVKV-UHFFFAOYSA-N 2 1 367.493 4.011 20 0 FIADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657469080 1085149654 /nfs/dbraw/zinc/14/96/54/1085149654.db2.gz FUQPNYNIYMUFCM-FQEVSTJZSA-N 2 1 366.553 4.080 20 0 FIADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657469080 1085149660 /nfs/dbraw/zinc/14/96/60/1085149660.db2.gz FUQPNYNIYMUFCM-FQEVSTJZSA-N 2 1 366.553 4.080 20 0 FIADMP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000582577924 1085186520 /nfs/dbraw/zinc/18/65/20/1085186520.db2.gz FKVJNRAJCMCGMQ-KNQAVFIVSA-N 2 1 361.618 4.107 20 0 FIADMP CC1=C[C@@H](C)C[C@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577924 1085186524 /nfs/dbraw/zinc/18/65/24/1085186524.db2.gz FKVJNRAJCMCGMQ-KNQAVFIVSA-N 3 1 361.618 4.107 20 0 FIADMP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577924 1085186528 /nfs/dbraw/zinc/18/65/28/1085186528.db2.gz FKVJNRAJCMCGMQ-KNQAVFIVSA-N 3 1 361.618 4.107 20 0 FIADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000563415147 1085244962 /nfs/dbraw/zinc/24/49/62/1085244962.db2.gz BXNJTNDGAWQBAS-FGTMMUONSA-N 2 1 352.526 4.114 20 0 FIADMP c1c2cnccc2oc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000651637382 1085265720 /nfs/dbraw/zinc/26/57/20/1085265720.db2.gz NAABMINDDFNWOW-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cnccc2oc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000651637382 1085265728 /nfs/dbraw/zinc/26/57/28/1085265728.db2.gz NAABMINDDFNWOW-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cnccc2oc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000651637382 1085265737 /nfs/dbraw/zinc/26/57/37/1085265737.db2.gz NAABMINDDFNWOW-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cnccc2oc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000651637382 1085265743 /nfs/dbraw/zinc/26/57/43/1085265743.db2.gz NAABMINDDFNWOW-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP Fc1cncc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000684955562 1085300727 /nfs/dbraw/zinc/30/07/27/1085300727.db2.gz QABUXRGNORKVOL-GCJKJVERSA-N 2 1 353.485 4.174 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421852772 1085390985 /nfs/dbraw/zinc/39/09/85/1085390985.db2.gz ISRNSHUIJSUTPU-FYYLOGMGSA-N 2 1 363.549 4.219 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421852772 1085390995 /nfs/dbraw/zinc/39/09/95/1085390995.db2.gz ISRNSHUIJSUTPU-FYYLOGMGSA-N 2 1 363.549 4.219 20 0 FIADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784585 1085721323 /nfs/dbraw/zinc/72/13/23/1085721323.db2.gz DFBLSLGDSCXFTI-GOTSBHOMSA-N 2 1 364.533 4.031 20 0 FIADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784585 1085721337 /nfs/dbraw/zinc/72/13/37/1085721337.db2.gz DFBLSLGDSCXFTI-GOTSBHOMSA-N 2 1 364.533 4.031 20 0 FIADMP C[C@@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657628174 1085721948 /nfs/dbraw/zinc/72/19/48/1085721948.db2.gz FLVQYLDKGPKJOI-KRWDZBQOSA-N 2 1 374.475 4.029 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636717 1085906251 /nfs/dbraw/zinc/90/62/51/1085906251.db2.gz OGDFCYGMSIJMHW-JCGIZDLHSA-N 2 1 371.550 4.405 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636717 1085906253 /nfs/dbraw/zinc/90/62/53/1085906253.db2.gz OGDFCYGMSIJMHW-JCGIZDLHSA-N 2 1 371.550 4.405 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)C1 ZINC000652348696 1085923722 /nfs/dbraw/zinc/92/37/22/1085923722.db2.gz NVZVQCSMMNRVLT-ZLNRFVROSA-N 2 1 356.554 4.453 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)C1 ZINC000652348450 1085927340 /nfs/dbraw/zinc/92/73/40/1085927340.db2.gz FESKZTPOJRTARD-JZXOWHBKSA-N 2 1 368.974 4.041 20 0 FIADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648748 1086032665 /nfs/dbraw/zinc/03/26/65/1086032665.db2.gz XPGDIAVHBJREIG-OFNKIYASSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648748 1086032672 /nfs/dbraw/zinc/03/26/72/1086032672.db2.gz XPGDIAVHBJREIG-OFNKIYASSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC001167648748 1086032678 /nfs/dbraw/zinc/03/26/78/1086032678.db2.gz XPGDIAVHBJREIG-OFNKIYASSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1F ZINC001167648748 1086032683 /nfs/dbraw/zinc/03/26/83/1086032683.db2.gz XPGDIAVHBJREIG-OFNKIYASSA-N 2 1 370.487 4.494 20 0 FIADMP FC(F)(F)C[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000583063575 1086130230 /nfs/dbraw/zinc/13/02/30/1086130230.db2.gz AXECKMVWUJXTNF-ZIAGYGMSSA-N 2 1 360.386 4.315 20 0 FIADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063421 1086131853 /nfs/dbraw/zinc/13/18/53/1086131853.db2.gz SQKIQLDLPRJDCW-SIKLNZKXSA-N 2 1 350.506 4.184 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000247167391 1086151002 /nfs/dbraw/zinc/15/10/02/1086151002.db2.gz UMKVFLYSISMJED-JQVVWYNYSA-N 2 1 362.558 4.261 20 0 FIADMP C[C@@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000248880244 1086178028 /nfs/dbraw/zinc/17/80/28/1086178028.db2.gz KLYRBXOUCDBINF-KAOXLYBCSA-N 2 1 356.554 4.103 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001167658710 1086387483 /nfs/dbraw/zinc/38/74/83/1086387483.db2.gz KOWORSNPDQJQNL-YLJYHZDGSA-N 2 1 364.574 4.083 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297818 1086401173 /nfs/dbraw/zinc/40/11/73/1086401173.db2.gz SGXWCTUGXKNSKY-ICSRJNTNSA-N 2 1 371.569 4.157 20 0 FIADMP Cc1nccc([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000662504901 1086475076 /nfs/dbraw/zinc/47/50/76/1086475076.db2.gz HEVXDLUWURVTAP-QFIPXVFZSA-N 2 1 364.537 4.151 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663466295 1086563773 /nfs/dbraw/zinc/56/37/73/1086563773.db2.gz QPCUAOJBWIOXRU-YJBOKZPZSA-N 2 1 367.459 4.189 20 0 FIADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468940 1086570161 /nfs/dbraw/zinc/57/01/61/1086570161.db2.gz NOIAPLAPBRNZQX-TZMCWYRMSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1sccc1Br ZINC000663468940 1086570163 /nfs/dbraw/zinc/57/01/63/1086570163.db2.gz NOIAPLAPBRNZQX-TZMCWYRMSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468940 1086570168 /nfs/dbraw/zinc/57/01/68/1086570168.db2.gz NOIAPLAPBRNZQX-TZMCWYRMSA-N 2 1 357.361 4.283 20 0 FIADMP COc1cc(OC)c([C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470150 1086573539 /nfs/dbraw/zinc/57/35/39/1086573539.db2.gz SLVMTBFLJAEBOB-GOEBONIOSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663470150 1086573545 /nfs/dbraw/zinc/57/35/45/1086573545.db2.gz SLVMTBFLJAEBOB-GOEBONIOSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470150 1086573553 /nfs/dbraw/zinc/57/35/53/1086573553.db2.gz SLVMTBFLJAEBOB-GOEBONIOSA-N 2 1 366.933 4.130 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167823888 1086603873 /nfs/dbraw/zinc/60/38/73/1086603873.db2.gz AEJMRYPSSBJNPN-GOSISDBHSA-N 2 1 369.594 4.218 20 0 FIADMP COc1ccc([C@H](CC(C)C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000647288212 1086611147 /nfs/dbraw/zinc/61/11/47/1086611147.db2.gz TUHOOHBWDDSZBL-NRFANRHFSA-N 2 1 360.542 4.017 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCSC[C@H]1c1ccc(OC)cc1 ZINC001167827196 1086620714 /nfs/dbraw/zinc/62/07/14/1086620714.db2.gz UQHJDEKRGJYCBQ-XLIONFOSSA-N 2 1 350.572 4.296 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167833456 1086665764 /nfs/dbraw/zinc/66/57/64/1086665764.db2.gz BHTZUCORNZFWOM-GGAORHGYSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167833456 1086665769 /nfs/dbraw/zinc/66/57/69/1086665769.db2.gz BHTZUCORNZFWOM-GGAORHGYSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167833456 1086665771 /nfs/dbraw/zinc/66/57/71/1086665771.db2.gz BHTZUCORNZFWOM-GGAORHGYSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833456 1086665774 /nfs/dbraw/zinc/66/57/74/1086665774.db2.gz BHTZUCORNZFWOM-GGAORHGYSA-N 2 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833456 1086665777 /nfs/dbraw/zinc/66/57/77/1086665777.db2.gz BHTZUCORNZFWOM-GGAORHGYSA-N 2 1 357.586 4.095 20 0 FIADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@H](C)CCC[NH+](CC)CC ZINC001167833641 1086665824 /nfs/dbraw/zinc/66/58/24/1086665824.db2.gz CTOPISOBMPLKES-HXUWFJFHSA-N 2 1 362.558 4.342 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338781 1086675613 /nfs/dbraw/zinc/67/56/13/1086675613.db2.gz UCPFJBOKVJZOSK-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623183 1086679521 /nfs/dbraw/zinc/67/95/21/1086679521.db2.gz VLAIVPYVCRTNQZ-YOEHRIQHSA-N 2 1 355.448 4.332 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623183 1086679528 /nfs/dbraw/zinc/67/95/28/1086679528.db2.gz VLAIVPYVCRTNQZ-YOEHRIQHSA-N 2 1 355.448 4.332 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001167834818 1086690271 /nfs/dbraw/zinc/69/02/71/1086690271.db2.gz NAUKWMRHAVEVRJ-NRFANRHFSA-N 2 1 357.586 4.095 20 0 FIADMP COc1cccc(OC)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044827 1086699173 /nfs/dbraw/zinc/69/91/73/1086699173.db2.gz ICOXYVGPPOBXJR-QUCCMNQESA-N 2 1 368.521 4.094 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000512047270 1086705995 /nfs/dbraw/zinc/70/59/95/1086705995.db2.gz YPHJLYBNTVJJIF-UHFFFAOYSA-N 2 1 362.521 4.217 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001167835582 1086706144 /nfs/dbraw/zinc/70/61/44/1086706144.db2.gz RRRKYDVKVODTSI-QPTUXGOLSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001167835582 1086706145 /nfs/dbraw/zinc/70/61/45/1086706145.db2.gz RRRKYDVKVODTSI-QPTUXGOLSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001167835582 1086706148 /nfs/dbraw/zinc/70/61/48/1086706148.db2.gz RRRKYDVKVODTSI-QPTUXGOLSA-N 3 1 371.613 4.341 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414937 1086738139 /nfs/dbraw/zinc/73/81/39/1086738139.db2.gz AXBWZQZXJIJBFM-APWZRJJASA-N 2 1 358.551 4.369 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414937 1086738146 /nfs/dbraw/zinc/73/81/46/1086738146.db2.gz AXBWZQZXJIJBFM-APWZRJJASA-N 2 1 358.551 4.369 20 0 FIADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419914 1086746521 /nfs/dbraw/zinc/74/65/21/1086746521.db2.gz HEDWYOOKQKCZPX-GJZGRUSLSA-N 2 1 359.341 4.015 20 0 FIADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419914 1086746528 /nfs/dbraw/zinc/74/65/28/1086746528.db2.gz HEDWYOOKQKCZPX-GJZGRUSLSA-N 2 1 359.341 4.015 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427670398 1086748179 /nfs/dbraw/zinc/74/81/79/1086748179.db2.gz DXOWZCVLJYMPSN-QAPCUYQASA-N 2 1 369.475 4.435 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432426089 1086754448 /nfs/dbraw/zinc/75/44/48/1086754448.db2.gz YACSNAJLEVTGSM-NQIIRXRSSA-N 2 1 360.542 4.114 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000650706235 1086754617 /nfs/dbraw/zinc/75/46/17/1086754617.db2.gz GUOVMBVTCCDVLQ-BLIXFSHQSA-N 2 1 374.912 4.318 20 0 FIADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706564 1086756230 /nfs/dbraw/zinc/75/62/30/1086756230.db2.gz NMAHMVCEEYDXKL-WPFOTENUSA-N 2 1 364.533 4.380 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)C1 ZINC000650708991 1086763084 /nfs/dbraw/zinc/76/30/84/1086763084.db2.gz XVCTYWYQXNSJGK-VIKOFABESA-N 2 1 356.554 4.179 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC001167845190 1086772408 /nfs/dbraw/zinc/77/24/08/1086772408.db2.gz SGGXTPFNTASTRT-DHIUTWEWSA-N 2 1 352.522 4.000 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC001167845190 1086772412 /nfs/dbraw/zinc/77/24/12/1086772412.db2.gz SGGXTPFNTASTRT-DHIUTWEWSA-N 2 1 352.522 4.000 20 0 FIADMP Cc1cc(N2CCC([NH2+]C3CC(c4ccccc4Cl)C3)CC2)nc(C)[nH+]1 ZINC000512114610 1086783441 /nfs/dbraw/zinc/78/34/41/1086783441.db2.gz HTDBRFLNXCLDKB-UHFFFAOYSA-N 2 1 370.928 4.251 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000650722571 1086821502 /nfs/dbraw/zinc/82/15/02/1086821502.db2.gz WRNDGROPTKXVQS-QFUCXCTJSA-N 2 1 374.912 4.461 20 0 FIADMP CCO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660779 1086902787 /nfs/dbraw/zinc/90/27/87/1086902787.db2.gz MDMYYOSXXNQVBZ-WTIAFYNJSA-N 2 1 352.522 4.264 20 0 FIADMP c1[nH]nc2cc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)ccc12 ZINC000583709121 1086925642 /nfs/dbraw/zinc/92/56/42/1086925642.db2.gz JEBDLZSPMKSGQF-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000583780699 1086960199 /nfs/dbraw/zinc/96/01/99/1086960199.db2.gz ZCPIJJJMMANDGA-FQEVSTJZSA-N 2 1 350.466 4.167 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)CC1CC1 ZINC000536141628 1086986863 /nfs/dbraw/zinc/98/68/63/1086986863.db2.gz WMMDBMVEOTXQLF-UHFFFAOYSA-N 2 1 366.553 4.206 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000151355968 1087095151 /nfs/dbraw/zinc/09/51/51/1087095151.db2.gz FYMLZYPWXKYORD-XMMPIXPASA-N 2 1 366.549 4.187 20 0 FIADMP Oc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000584082873 1087159622 /nfs/dbraw/zinc/15/96/22/1087159622.db2.gz OVMQMVGIZJYKHL-INIZCTEOSA-N 2 1 364.411 4.023 20 0 FIADMP Oc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000584082873 1087159627 /nfs/dbraw/zinc/15/96/27/1087159627.db2.gz OVMQMVGIZJYKHL-INIZCTEOSA-N 2 1 364.411 4.023 20 0 FIADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974189 1087290174 /nfs/dbraw/zinc/29/01/74/1087290174.db2.gz QINWVJWLMPBRCD-JSGCOSHPSA-N 2 1 357.845 4.054 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccsc2S1 ZINC000090525924 1087412219 /nfs/dbraw/zinc/41/22/19/1087412219.db2.gz AUHWETZUWZBBRD-MGHWNKPDSA-N 2 1 366.596 4.031 20 0 FIADMP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000091071187 1087420245 /nfs/dbraw/zinc/42/02/45/1087420245.db2.gz BSRRJKVXZWDEQZ-JOCHJYFZSA-N 2 1 374.475 4.428 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000091267670 1087426275 /nfs/dbraw/zinc/42/62/75/1087426275.db2.gz DCWSNTCZYPSFQI-SFHVURJKSA-N 2 1 362.521 4.410 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)cc2cc1OC ZINC000657868735 1087456407 /nfs/dbraw/zinc/45/64/07/1087456407.db2.gz DJLPKROLIOHXDA-CVEARBPZSA-N 2 1 367.493 4.349 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)oc21 ZINC000728594301 1087531071 /nfs/dbraw/zinc/53/10/71/1087531071.db2.gz PFSRZYKEYAMRJZ-LJQANCHMSA-N 2 1 364.489 4.096 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)oc21 ZINC000728594301 1087531075 /nfs/dbraw/zinc/53/10/75/1087531075.db2.gz PFSRZYKEYAMRJZ-LJQANCHMSA-N 2 1 364.489 4.096 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)oc21 ZINC000728594300 1087531185 /nfs/dbraw/zinc/53/11/85/1087531185.db2.gz PFSRZYKEYAMRJZ-IBGZPJMESA-N 2 1 364.489 4.096 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)oc21 ZINC000728594300 1087531187 /nfs/dbraw/zinc/53/11/87/1087531187.db2.gz PFSRZYKEYAMRJZ-IBGZPJMESA-N 2 1 364.489 4.096 20 0 FIADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCn1cc[nH+]c1C ZINC000657888715 1087545856 /nfs/dbraw/zinc/54/58/56/1087545856.db2.gz NTAQLEVOCJIDAF-SFHVURJKSA-N 2 1 364.331 4.345 20 0 FIADMP C[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685425675 1087565456 /nfs/dbraw/zinc/56/54/56/1087565456.db2.gz UWVSWOSKRAWNSB-HFSMHLIXSA-N 2 1 354.542 4.008 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443043 1087569638 /nfs/dbraw/zinc/56/96/38/1087569638.db2.gz KWSBCEFGQQDQGA-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443043 1087569641 /nfs/dbraw/zinc/56/96/41/1087569641.db2.gz KWSBCEFGQQDQGA-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443043 1087569644 /nfs/dbraw/zinc/56/96/44/1087569644.db2.gz KWSBCEFGQQDQGA-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443043 1087569646 /nfs/dbraw/zinc/56/96/46/1087569646.db2.gz KWSBCEFGQQDQGA-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720460 1087622450 /nfs/dbraw/zinc/62/24/50/1087622450.db2.gz MSZNWCUQRTZMQK-SIKLNZKXSA-N 2 1 352.522 4.128 20 0 FIADMP CCOC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000657970520 1087682933 /nfs/dbraw/zinc/68/29/33/1087682933.db2.gz FNEOXJNFXCLEER-FQUXPLTJSA-N 2 1 356.554 4.224 20 0 FIADMP CCOC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000657970519 1087683235 /nfs/dbraw/zinc/68/32/35/1087683235.db2.gz FNEOXJNFXCLEER-DSKNIHGZSA-N 2 1 356.554 4.224 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCCC2)cc1 ZINC000658103153 1087722158 /nfs/dbraw/zinc/72/21/58/1087722158.db2.gz HNLNKAANZRSHOT-QGZVFWFLSA-N 2 1 361.493 4.027 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658142486 1087735411 /nfs/dbraw/zinc/73/54/11/1087735411.db2.gz ZNCFVNOYZLQGNA-GOTSBHOMSA-N 2 1 370.512 4.269 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](CC3CCC3)c3ccccc3)cc2)C1 ZINC000658136282 1087741814 /nfs/dbraw/zinc/74/18/14/1087741814.db2.gz GMMGYRRLRAIDNE-ZEQRLZLVSA-N 2 1 364.533 4.274 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3cccs3)C3CCCC3)cc2)C1 ZINC000658140664 1087745388 /nfs/dbraw/zinc/74/53/88/1087745388.db2.gz QOBDEHGQNQIKBY-UNMCSNQZSA-N 2 1 370.562 4.336 20 0 FIADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424134866 1087785667 /nfs/dbraw/zinc/78/56/67/1087785667.db2.gz OEDPMICLQUUYQC-KDURUIRLSA-N 2 1 354.542 4.232 20 0 FIADMP CC[C@@H]1C[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@H]1[NH3+] ZINC000647934496 1087788257 /nfs/dbraw/zinc/78/82/57/1087788257.db2.gz HEFORBIVQXWKOL-DNVCBOLYSA-N 2 1 365.477 4.063 20 0 FIADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@H]1[NH3+] ZINC000647934496 1087788270 /nfs/dbraw/zinc/78/82/70/1087788270.db2.gz HEFORBIVQXWKOL-DNVCBOLYSA-N 2 1 365.477 4.063 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000424317914 1087917919 /nfs/dbraw/zinc/91/79/19/1087917919.db2.gz RGSRURMKEYTDFJ-GUXCAODWSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000424317914 1087917924 /nfs/dbraw/zinc/91/79/24/1087917924.db2.gz RGSRURMKEYTDFJ-GUXCAODWSA-N 2 1 368.949 4.136 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(Cl)c1 ZINC000424320353 1087918834 /nfs/dbraw/zinc/91/88/34/1087918834.db2.gz SRTPMURBBZDOQB-CQSZACIVSA-N 2 1 374.916 4.075 20 0 FIADMP C[C@@H](C[N@H+]1CCCC12CC[NH+](C)CC2)c1cccc(Br)c1 ZINC000472598534 1087990984 /nfs/dbraw/zinc/99/09/84/1087990984.db2.gz LVUVOCSSFGFZMG-HNNXBMFYSA-N 2 1 351.332 4.113 20 0 FIADMP CC[N@@H+](Cc1ccoc1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000414385064 1088081742 /nfs/dbraw/zinc/08/17/42/1088081742.db2.gz DRCBTROVAVIBIZ-UHFFFAOYSA-N 2 1 356.514 4.301 20 0 FIADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000311115294 1088237527 /nfs/dbraw/zinc/23/75/27/1088237527.db2.gz PDJOORRLCDMZDO-JOCHJYFZSA-N 2 1 350.506 4.327 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258314 1088478658 /nfs/dbraw/zinc/47/86/58/1088478658.db2.gz WNRHHHSZKZNDHZ-LSBZLQRGSA-N 2 1 359.514 4.093 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258314 1088478670 /nfs/dbraw/zinc/47/86/70/1088478670.db2.gz WNRHHHSZKZNDHZ-LSBZLQRGSA-N 2 1 359.514 4.093 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000517270602 1088586529 /nfs/dbraw/zinc/58/65/29/1088586529.db2.gz JIFITNZYBKSFRV-RLFYNMQTSA-N 2 1 368.363 4.395 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000517270604 1088587314 /nfs/dbraw/zinc/58/73/14/1088587314.db2.gz JIFITNZYBKSFRV-VKJFTORMSA-N 2 1 368.363 4.395 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000514089714 1088733514 /nfs/dbraw/zinc/73/35/14/1088733514.db2.gz RGAKZKJIKVMYEZ-HSALFYBXSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000514089714 1088733530 /nfs/dbraw/zinc/73/35/30/1088733530.db2.gz RGAKZKJIKVMYEZ-HSALFYBXSA-N 2 1 355.551 4.232 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)c1OC ZINC000514106156 1088753297 /nfs/dbraw/zinc/75/32/97/1088753297.db2.gz WGIAQKSGEQHKHV-SFHVURJKSA-N 2 1 368.521 4.327 20 0 FIADMP COc1cccc(Cl)c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000514146356 1088796553 /nfs/dbraw/zinc/79/65/53/1088796553.db2.gz XCWVIHJHQPJODC-UHFFFAOYSA-N 2 1 359.901 4.092 20 0 FIADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](CC)c1ccccc1 ZINC000514175275 1088861164 /nfs/dbraw/zinc/86/11/64/1088861164.db2.gz XFGXLQICXLDQRK-QFIPXVFZSA-N 2 1 373.585 4.229 20 0 FIADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000514248768 1088944970 /nfs/dbraw/zinc/94/49/70/1088944970.db2.gz VOJSUKMCJHGUSZ-OXFYSEKESA-N 2 1 350.934 4.270 20 0 FIADMP FC(F)Oc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434688541 1088947047 /nfs/dbraw/zinc/94/70/47/1088947047.db2.gz NHKDGDQSHXELPK-UHFFFAOYSA-N 2 1 361.436 4.200 20 0 FIADMP Clc1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434688975 1088947111 /nfs/dbraw/zinc/94/71/11/1088947111.db2.gz RNIKDEMTMGUQOI-UHFFFAOYSA-N 2 1 359.901 4.131 20 0 FIADMP C[N@H+]1CC[C@@]2(CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117392 1089006682 /nfs/dbraw/zinc/00/66/82/1089006682.db2.gz CPOPSKWHBYDQPI-JOCHJYFZSA-N 2 1 356.460 4.124 20 0 FIADMP C[NH+]1CC[C@@]2(CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117392 1089006709 /nfs/dbraw/zinc/00/67/09/1089006709.db2.gz CPOPSKWHBYDQPI-JOCHJYFZSA-N 2 1 356.460 4.124 20 0 FIADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117392 1089006756 /nfs/dbraw/zinc/00/67/56/1089006756.db2.gz CPOPSKWHBYDQPI-JOCHJYFZSA-N 2 1 356.460 4.124 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000415083169 1089139681 /nfs/dbraw/zinc/13/96/81/1089139681.db2.gz NBAINPYICOSFHV-LPHOPBHVSA-N 2 1 364.411 4.297 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415084491 1089140313 /nfs/dbraw/zinc/14/03/13/1089140313.db2.gz RJLGIYYKORRHKV-HSALFYBXSA-N 2 1 355.457 4.023 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000462675882 1089202622 /nfs/dbraw/zinc/20/26/22/1089202622.db2.gz JNWGEILMDXEMNL-UHFFFAOYSA-N 2 1 360.933 4.046 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000435041539 1089220254 /nfs/dbraw/zinc/22/02/54/1089220254.db2.gz JOQKLURLHLTZOX-WTNAPCKOSA-N 2 1 365.521 4.004 20 0 FIADMP CCn1nccc1C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000435024686 1089220706 /nfs/dbraw/zinc/22/07/06/1089220706.db2.gz FOIIQBVTJYFVDK-UHFFFAOYSA-N 2 1 368.569 4.241 20 0 FIADMP CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435124407 1089302500 /nfs/dbraw/zinc/30/25/00/1089302500.db2.gz PDLQQUGRQLSPML-LJQANCHMSA-N 2 1 364.493 4.014 20 0 FIADMP CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435124407 1089302518 /nfs/dbraw/zinc/30/25/18/1089302518.db2.gz PDLQQUGRQLSPML-LJQANCHMSA-N 2 1 364.493 4.014 20 0 FIADMP CC[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435124407 1089302530 /nfs/dbraw/zinc/30/25/30/1089302530.db2.gz PDLQQUGRQLSPML-LJQANCHMSA-N 2 1 364.493 4.014 20 0 FIADMP CC[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435124407 1089302542 /nfs/dbraw/zinc/30/25/42/1089302542.db2.gz PDLQQUGRQLSPML-LJQANCHMSA-N 2 1 364.493 4.014 20 0 FIADMP CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435124406 1089303137 /nfs/dbraw/zinc/30/31/37/1089303137.db2.gz PDLQQUGRQLSPML-IBGZPJMESA-N 2 1 364.493 4.014 20 0 FIADMP CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435124406 1089303156 /nfs/dbraw/zinc/30/31/56/1089303156.db2.gz PDLQQUGRQLSPML-IBGZPJMESA-N 2 1 364.493 4.014 20 0 FIADMP CC[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435124406 1089303175 /nfs/dbraw/zinc/30/31/75/1089303175.db2.gz PDLQQUGRQLSPML-IBGZPJMESA-N 2 1 364.493 4.014 20 0 FIADMP CC[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435124406 1089303191 /nfs/dbraw/zinc/30/31/91/1089303191.db2.gz PDLQQUGRQLSPML-IBGZPJMESA-N 2 1 364.493 4.014 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000580315329 1089547690 /nfs/dbraw/zinc/54/76/90/1089547690.db2.gz COQPSPCVPFXZLE-VQIMIIECSA-N 2 1 367.518 4.184 20 0 FIADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374806 1089567224 /nfs/dbraw/zinc/56/72/24/1089567224.db2.gz YOWMZTHOFFTAGI-CABCVRRESA-N 2 1 360.933 4.128 20 0 FIADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374806 1089567235 /nfs/dbraw/zinc/56/72/35/1089567235.db2.gz YOWMZTHOFFTAGI-CABCVRRESA-N 2 1 360.933 4.128 20 0 FIADMP c1cc(C[N@@H+](Cc2ccc3ccccc3n2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435681017 1089840652 /nfs/dbraw/zinc/84/06/52/1089840652.db2.gz JBLDUDNDCCOFKD-NRFANRHFSA-N 2 1 363.530 4.441 20 0 FIADMP Cc1ccccc1CCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435694551 1089878396 /nfs/dbraw/zinc/87/83/96/1089878396.db2.gz LWHKUSJVAWGDJQ-IBGZPJMESA-N 2 1 355.551 4.028 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414872619 1089890362 /nfs/dbraw/zinc/89/03/62/1089890362.db2.gz FZKZZXVWUXXWKD-GOTSBHOMSA-N 2 1 367.537 4.274 20 0 FIADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838776 1090933771 /nfs/dbraw/zinc/93/37/71/1090933771.db2.gz GLZFIHYNJUELSW-KNQAVFIVSA-N 2 1 364.533 4.413 20 0 FIADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838776 1090933773 /nfs/dbraw/zinc/93/37/73/1090933773.db2.gz GLZFIHYNJUELSW-KNQAVFIVSA-N 2 1 364.533 4.413 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256950 1090956013 /nfs/dbraw/zinc/95/60/13/1090956013.db2.gz OUQUFCSLKYXUDR-HIFRSBDPSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256950 1090956015 /nfs/dbraw/zinc/95/60/15/1090956015.db2.gz OUQUFCSLKYXUDR-HIFRSBDPSA-N 2 1 356.432 4.170 20 0 FIADMP COc1cccc(-c2csc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)n2)c1 ZINC000893333332 1091042252 /nfs/dbraw/zinc/04/22/52/1091042252.db2.gz VMUHTLRECSINKZ-UHFFFAOYSA-N 2 1 367.518 4.170 20 0 FIADMP CCn1cncc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418076484 1091048176 /nfs/dbraw/zinc/04/81/76/1091048176.db2.gz JOIPEZQWNAUSHL-JOCHJYFZSA-N 2 1 366.553 4.026 20 0 FIADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124698 1091051284 /nfs/dbraw/zinc/05/12/84/1091051284.db2.gz NSNYGCLCRVTKBK-WBVHZDCISA-N 2 1 354.460 4.473 20 0 FIADMP C[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124698 1091051287 /nfs/dbraw/zinc/05/12/87/1091051287.db2.gz NSNYGCLCRVTKBK-WBVHZDCISA-N 2 1 354.460 4.473 20 0 FIADMP C[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124698 1091051293 /nfs/dbraw/zinc/05/12/93/1091051293.db2.gz NSNYGCLCRVTKBK-WBVHZDCISA-N 2 1 354.460 4.473 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000651469312 1091052109 /nfs/dbraw/zinc/05/21/09/1091052109.db2.gz JWTIQTHWIHXUHE-HJZRJOMTSA-N 2 1 352.469 4.037 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000651469312 1091052115 /nfs/dbraw/zinc/05/21/15/1091052115.db2.gz JWTIQTHWIHXUHE-HJZRJOMTSA-N 2 1 352.469 4.037 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525830 1091182124 /nfs/dbraw/zinc/18/21/24/1091182124.db2.gz IYXDJGQIIOCBCY-ZJSXRUAMSA-N 2 1 365.565 4.009 20 0 FIADMP COc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)ccc1C ZINC000194164840 1091355285 /nfs/dbraw/zinc/35/52/85/1091355285.db2.gz QQIPBJHCSGJLJY-UHFFFAOYSA-N 2 1 367.537 4.394 20 0 FIADMP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666932 1091380127 /nfs/dbraw/zinc/38/01/27/1091380127.db2.gz RDERSUAFSPEMLL-JOCHJYFZSA-N 2 1 352.522 4.223 20 0 FIADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666932 1091380133 /nfs/dbraw/zinc/38/01/33/1091380133.db2.gz RDERSUAFSPEMLL-JOCHJYFZSA-N 2 1 352.522 4.223 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](Cc3ccccc3)C(C)C)CC2)oc1C ZINC000187195615 1091852180 /nfs/dbraw/zinc/85/21/80/1091852180.db2.gz RETQURRIIYUBCR-QFIPXVFZSA-N 2 1 369.553 4.360 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279393491 1091890366 /nfs/dbraw/zinc/89/03/66/1091890366.db2.gz KIMPYWBCDYOLOQ-UHFFFAOYSA-N 2 1 369.557 4.167 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512286059 1092010206 /nfs/dbraw/zinc/01/02/06/1092010206.db2.gz ADOCEWMLFDBZRI-ZSXJVMONSA-N 2 1 370.581 4.470 20 0 FIADMP COCc1ccccc1/C=C(/C)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512345380 1092091492 /nfs/dbraw/zinc/09/14/92/1092091492.db2.gz GJPRSEWLEJCQHF-XLUNNXEJSA-N 2 1 356.554 4.479 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000512431984 1092312849 /nfs/dbraw/zinc/31/28/49/1092312849.db2.gz CJAWHIRDDDLSLY-GCJKJVERSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@@H]1C[C@@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431984 1092312862 /nfs/dbraw/zinc/31/28/62/1092312862.db2.gz CJAWHIRDDDLSLY-GCJKJVERSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@@H]1C[C@@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431984 1092312876 /nfs/dbraw/zinc/31/28/76/1092312876.db2.gz CJAWHIRDDDLSLY-GCJKJVERSA-N 2 1 368.496 4.383 20 0 FIADMP CCOc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168012814 1092376924 /nfs/dbraw/zinc/37/69/24/1092376924.db2.gz FLXSPRXOSAYNJJ-ROUUACIJSA-N 2 1 353.510 4.012 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000432790272 1092380840 /nfs/dbraw/zinc/38/08/40/1092380840.db2.gz BOQAXJTYNGSEFG-NRFANRHFSA-N 2 1 368.569 4.145 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000432790272 1092380846 /nfs/dbraw/zinc/38/08/46/1092380846.db2.gz BOQAXJTYNGSEFG-NRFANRHFSA-N 2 1 368.569 4.145 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000665272000 1092408244 /nfs/dbraw/zinc/40/82/44/1092408244.db2.gz WHUDIIQLKRQAQH-XQUALCHDSA-N 2 1 361.533 4.289 20 0 FIADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000500759238 1092520063 /nfs/dbraw/zinc/52/00/63/1092520063.db2.gz QCEYZSYLISAPBO-UHFFFAOYSA-N 2 1 373.928 4.496 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000549711149 1092710448 /nfs/dbraw/zinc/71/04/48/1092710448.db2.gz JSNDUFCGBSOKLZ-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442782360 1092760374 /nfs/dbraw/zinc/76/03/74/1092760374.db2.gz PXBTWDHFFZQEPR-KHVVASAOSA-N 2 1 373.544 4.381 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000442787377 1092767084 /nfs/dbraw/zinc/76/70/84/1092767084.db2.gz VQIDRBVDAZHCNM-SJLPKXTDSA-N 2 1 370.459 4.042 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442790290 1092768874 /nfs/dbraw/zinc/76/88/74/1092768874.db2.gz LMGBPVAOOUVQFK-LPHOPBHVSA-N 2 1 370.459 4.042 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1)C(C)C ZINC000110171486 1092787040 /nfs/dbraw/zinc/78/70/40/1092787040.db2.gz GXMYKEQIQPMOLJ-UHFFFAOYSA-N 2 1 373.585 4.111 20 0 FIADMP c1cc2cc(CC[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2[nH]1 ZINC000442820258 1092788955 /nfs/dbraw/zinc/78/89/55/1092788955.db2.gz KFBODLBSQYMZQM-WMTXJRDZSA-N 2 1 359.517 4.211 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@H]1c1cccs1 ZINC000474040208 1092922139 /nfs/dbraw/zinc/92/21/39/1092922139.db2.gz ZTDMQPKMXKALMG-HZVKZAKPSA-N 2 1 362.583 4.316 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@H]1c1cccs1 ZINC000474040208 1092922140 /nfs/dbraw/zinc/92/21/40/1092922140.db2.gz ZTDMQPKMXKALMG-HZVKZAKPSA-N 2 1 362.583 4.316 20 0 FIADMP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512660442 1093096782 /nfs/dbraw/zinc/09/67/82/1093096782.db2.gz NGNBYEBUKUSXJH-BHDDXSALSA-N 2 1 358.570 4.066 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]CC3CCCCCC3)C3(C2)CCOCC3)cc1 ZINC000549867914 1093104527 /nfs/dbraw/zinc/10/45/27/1093104527.db2.gz HQZBXOGGMDJKOD-QHCPKHFHSA-N 2 1 370.581 4.475 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@@H]1C ZINC000512673411 1093121132 /nfs/dbraw/zinc/12/11/32/1093121132.db2.gz QMTNXSCQHGAOBH-DNVFCKCGSA-N 2 1 374.569 4.091 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049223 1093143393 /nfs/dbraw/zinc/14/33/93/1093143393.db2.gz WNYVNXBIXOIUJY-IRXDYDNUSA-N 2 1 366.496 4.211 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049223 1093143398 /nfs/dbraw/zinc/14/33/98/1093143398.db2.gz WNYVNXBIXOIUJY-IRXDYDNUSA-N 2 1 366.496 4.211 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049221 1093143532 /nfs/dbraw/zinc/14/35/32/1093143532.db2.gz WNYVNXBIXOIUJY-DLBZAZTESA-N 2 1 366.496 4.211 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049221 1093143536 /nfs/dbraw/zinc/14/35/36/1093143536.db2.gz WNYVNXBIXOIUJY-DLBZAZTESA-N 2 1 366.496 4.211 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)N(O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018834 1093173600 /nfs/dbraw/zinc/17/36/00/1093173600.db2.gz FLPXBCVMHYSHSA-HNJRGHQBSA-N 2 1 359.558 4.038 20 0 FIADMP C[C@H]1CC([NH2+][C@@H]2CCc3ccc(O)cc32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168020321 1093204764 /nfs/dbraw/zinc/20/47/64/1093204764.db2.gz LZCCJLLJARFPMN-HKARXFIJSA-N 2 1 350.506 4.411 20 0 FIADMP Cc1ccnc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020392 1093211873 /nfs/dbraw/zinc/21/18/73/1093211873.db2.gz MXWBVSYTRNDVBR-JHDGKUDLSA-N 2 1 351.538 4.354 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474085416 1093234344 /nfs/dbraw/zinc/23/43/44/1093234344.db2.gz WAOSMRYTOFQWOG-VLCRHTCISA-N 2 1 350.506 4.319 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474085416 1093234354 /nfs/dbraw/zinc/23/43/54/1093234354.db2.gz WAOSMRYTOFQWOG-VLCRHTCISA-N 2 1 350.506 4.319 20 0 FIADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443584874 1093285195 /nfs/dbraw/zinc/28/51/95/1093285195.db2.gz TXGNBUYMPFWZCA-BFUOFWGJSA-N 2 1 371.352 4.005 20 0 FIADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443597673 1093310804 /nfs/dbraw/zinc/31/08/04/1093310804.db2.gz DXCHUWLFNYLXMY-UHFFFAOYSA-N 2 1 372.532 4.283 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000191471240 1093395643 /nfs/dbraw/zinc/39/56/43/1093395643.db2.gz BMLVMCZUPQYTCT-CQSZACIVSA-N 2 1 359.499 4.030 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000191471240 1093395651 /nfs/dbraw/zinc/39/56/51/1093395651.db2.gz BMLVMCZUPQYTCT-CQSZACIVSA-N 2 1 359.499 4.030 20 0 FIADMP COc1cc(F)cc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168025246 1093419660 /nfs/dbraw/zinc/41/96/60/1093419660.db2.gz JEDFTNAXFQIROL-IAGOWNOFSA-N 2 1 356.485 4.366 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000191522154 1093438546 /nfs/dbraw/zinc/43/85/46/1093438546.db2.gz CKUISCNEUCTTCG-KRWDZBQOSA-N 2 1 367.497 4.277 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000191522154 1093438550 /nfs/dbraw/zinc/43/85/50/1093438550.db2.gz CKUISCNEUCTTCG-KRWDZBQOSA-N 2 1 367.497 4.277 20 0 FIADMP C[C@H](C[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168028055 1093529332 /nfs/dbraw/zinc/52/93/32/1093529332.db2.gz ODKYILOMBLEUOK-XUVXKRRUSA-N 2 1 359.602 4.419 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433322022 1093583697 /nfs/dbraw/zinc/58/36/97/1093583697.db2.gz OXKOXTVABFRDBX-KRWDZBQOSA-N 2 1 364.493 4.334 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433396339 1093667863 /nfs/dbraw/zinc/66/78/63/1093667863.db2.gz WCWKZSFXGHHGEY-MJGOQNOKSA-N 2 1 366.521 4.155 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433396339 1093667865 /nfs/dbraw/zinc/66/78/65/1093667865.db2.gz WCWKZSFXGHHGEY-MJGOQNOKSA-N 2 1 366.521 4.155 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513063792 1093715839 /nfs/dbraw/zinc/71/58/39/1093715839.db2.gz IPMSNMKPHANNDL-UWJYYQICSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000513063792 1093715843 /nfs/dbraw/zinc/71/58/43/1093715843.db2.gz IPMSNMKPHANNDL-UWJYYQICSA-N 2 1 365.496 4.492 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000513080902 1093783038 /nfs/dbraw/zinc/78/30/38/1093783038.db2.gz GNDZLEVDRDSSFH-XLIONFOSSA-N 2 1 356.485 4.020 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000513080902 1093783045 /nfs/dbraw/zinc/78/30/45/1093783045.db2.gz GNDZLEVDRDSSFH-XLIONFOSSA-N 2 1 356.485 4.020 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614389680 1093799753 /nfs/dbraw/zinc/79/97/53/1093799753.db2.gz XCYOZKCBDPXQRA-KDURUIRLSA-N 2 1 374.532 4.398 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614389680 1093799755 /nfs/dbraw/zinc/79/97/55/1093799755.db2.gz XCYOZKCBDPXQRA-KDURUIRLSA-N 2 1 374.532 4.398 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000474463728 1093809151 /nfs/dbraw/zinc/80/91/51/1093809151.db2.gz GBSQJJHWDXSHHU-QGZVFWFLSA-N 2 1 370.493 4.121 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000474463728 1093809156 /nfs/dbraw/zinc/80/91/56/1093809156.db2.gz GBSQJJHWDXSHHU-QGZVFWFLSA-N 2 1 370.493 4.121 20 0 FIADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@H]1C ZINC000474466923 1093813836 /nfs/dbraw/zinc/81/38/36/1093813836.db2.gz BKXVWPBLHUPFNT-GHDARCQNSA-N 2 1 372.553 4.128 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000474480205 1093826294 /nfs/dbraw/zinc/82/62/94/1093826294.db2.gz ZOMDBWKNXGJTCK-QRVBRYPASA-N 2 1 362.558 4.440 20 0 FIADMP CC(C)n1nccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000474484351 1093830927 /nfs/dbraw/zinc/83/09/27/1093830927.db2.gz IEVBKYZZPPGYLX-KDURUIRLSA-N 2 1 354.542 4.232 20 0 FIADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(CC3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036065 1093834990 /nfs/dbraw/zinc/83/49/90/1093834990.db2.gz TUVQIWCOYLGJNH-JHDGKUDLSA-N 3 1 369.597 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221840 1094018381 /nfs/dbraw/zinc/01/83/81/1094018381.db2.gz FIDILZLDNQIPQG-OIBXWCBGSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221840 1094018388 /nfs/dbraw/zinc/01/83/88/1094018388.db2.gz FIDILZLDNQIPQG-OIBXWCBGSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513346169 1094078199 /nfs/dbraw/zinc/07/81/99/1094078199.db2.gz RJLDXCIUHPZDIX-PSWRPDDJSA-N 2 1 352.526 4.010 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513346169 1094078203 /nfs/dbraw/zinc/07/82/03/1094078203.db2.gz RJLDXCIUHPZDIX-PSWRPDDJSA-N 2 1 352.526 4.010 20 0 FIADMP Cc1ccc2ncc(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)n2c1 ZINC000513500299 1094173097 /nfs/dbraw/zinc/17/30/97/1094173097.db2.gz LTEXZIYGTUBQON-PZJWPPBQSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2csc(C3CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000513500801 1094173913 /nfs/dbraw/zinc/17/39/13/1094173913.db2.gz OWWKLFCPPUTEMA-SJLPKXTDSA-N 2 1 355.551 4.411 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000513502231 1094174002 /nfs/dbraw/zinc/17/40/02/1094174002.db2.gz YGOQPOCPQVIIEX-TZIWHRDSSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]CC2=Cc3ccccc3OC2)C[N@H+]1Cc1ccccc1 ZINC000513513834 1094186309 /nfs/dbraw/zinc/18/63/09/1094186309.db2.gz UWKXZBBWDVQKNG-CTNGQTDRSA-N 2 1 362.517 4.353 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000513523826 1094197109 /nfs/dbraw/zinc/19/71/09/1094197109.db2.gz CLJKSDUQFJVJGA-DENIHFKCSA-N 2 1 352.526 4.005 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000513703683 1094411570 /nfs/dbraw/zinc/41/15/70/1094411570.db2.gz YTAFXKCLPSWFPR-BHIFYINESA-N 2 1 350.506 4.195 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039376 1094458759 /nfs/dbraw/zinc/45/87/59/1094458759.db2.gz DQJYVLTWMGEYQG-QZTJIDSGSA-N 2 1 362.521 4.174 20 0 FIADMP C[N@H+](Cc1csc(C(C)(C)C)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501033891 1094459291 /nfs/dbraw/zinc/45/92/91/1094459291.db2.gz SSYHNTNTZNEQIU-UHFFFAOYSA-N 2 1 358.555 4.184 20 0 FIADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501083882 1094497268 /nfs/dbraw/zinc/49/72/68/1094497268.db2.gz VPIDCDASHVHJHG-UHFFFAOYSA-N 2 1 363.427 4.449 20 0 FIADMP COc1ccc2c(c1)C[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168041113 1094532094 /nfs/dbraw/zinc/53/20/94/1094532094.db2.gz QUBFLJUBWBAGBN-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168041113 1094532100 /nfs/dbraw/zinc/53/21/00/1094532100.db2.gz QUBFLJUBWBAGBN-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168041113 1094532109 /nfs/dbraw/zinc/53/21/09/1094532109.db2.gz QUBFLJUBWBAGBN-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)C[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168041113 1094532114 /nfs/dbraw/zinc/53/21/14/1094532114.db2.gz QUBFLJUBWBAGBN-BBIADKPPSA-N 2 1 364.533 4.495 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000453405418 1094573873 /nfs/dbraw/zinc/57/38/73/1094573873.db2.gz SLMZJBPADPCBGG-AQKFKSFVSA-N 2 1 356.485 4.190 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000453405418 1094573874 /nfs/dbraw/zinc/57/38/74/1094573874.db2.gz SLMZJBPADPCBGG-AQKFKSFVSA-N 2 1 356.485 4.190 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000474814089 1094658953 /nfs/dbraw/zinc/65/89/53/1094658953.db2.gz XQZOOBRPGRLUSW-UWVAXJGDSA-N 2 1 360.542 4.050 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000474814089 1094658961 /nfs/dbraw/zinc/65/89/61/1094658961.db2.gz XQZOOBRPGRLUSW-UWVAXJGDSA-N 2 1 360.542 4.050 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000474817670 1094662896 /nfs/dbraw/zinc/66/28/96/1094662896.db2.gz PSSZYHIWPWRJJK-IDMYKUQPSA-N 2 1 369.509 4.343 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000501390336 1094676155 /nfs/dbraw/zinc/67/61/55/1094676155.db2.gz VRJYTFNWOFCKMZ-CQOQZXRMSA-N 2 1 363.549 4.262 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CCCC2)CC1 ZINC000501417604 1094696602 /nfs/dbraw/zinc/69/66/02/1094696602.db2.gz BMIPZVFNQNFEOB-TZIWHRDSSA-N 2 1 371.569 4.121 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446756 1094716598 /nfs/dbraw/zinc/71/65/98/1094716598.db2.gz UFMCUDFFOOCMDW-SZVBFZGTSA-N 2 1 372.475 4.491 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446756 1094716613 /nfs/dbraw/zinc/71/66/13/1094716613.db2.gz UFMCUDFFOOCMDW-SZVBFZGTSA-N 2 1 372.475 4.491 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2c1cccc2Cl ZINC000420312049 1094876391 /nfs/dbraw/zinc/87/63/91/1094876391.db2.gz OBPNVTPOXBQBOA-KSSFIOAISA-N 2 1 361.942 4.204 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2c1cccc2Cl ZINC000420312049 1094876409 /nfs/dbraw/zinc/87/64/09/1094876409.db2.gz OBPNVTPOXBQBOA-KSSFIOAISA-N 2 1 361.942 4.204 20 0 FIADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000420353596 1094896985 /nfs/dbraw/zinc/89/69/85/1094896985.db2.gz APQAQNLGHVTCFL-QFIPXVFZSA-N 2 1 365.521 4.179 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420366068 1094901216 /nfs/dbraw/zinc/90/12/16/1094901216.db2.gz JFCOOHGCLKYMAQ-WZONZLPQSA-N 2 1 363.505 4.075 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420366068 1094901221 /nfs/dbraw/zinc/90/12/21/1094901221.db2.gz JFCOOHGCLKYMAQ-WZONZLPQSA-N 2 1 363.505 4.075 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000501776514 1094920002 /nfs/dbraw/zinc/92/00/02/1094920002.db2.gz OMVUYOFXZJTXQQ-INIZCTEOSA-N 2 1 354.485 4.096 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000474923318 1094922979 /nfs/dbraw/zinc/92/29/79/1094922979.db2.gz GABBJTKOLCPADY-DOADOZAASA-N 2 1 374.569 4.438 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000501785175 1094923937 /nfs/dbraw/zinc/92/39/37/1094923937.db2.gz KLTCLLDLSBZQPY-MRXNPFEDSA-N 2 1 354.485 4.096 20 0 FIADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(Br)c(C)c1 ZINC000501918516 1095000813 /nfs/dbraw/zinc/00/08/13/1095000813.db2.gz QFLXQWVTWMLBOS-UHFFFAOYSA-N 2 1 364.331 4.429 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Br)c(C)c1 ZINC000501918516 1095000828 /nfs/dbraw/zinc/00/08/28/1095000828.db2.gz QFLXQWVTWMLBOS-UHFFFAOYSA-N 2 1 364.331 4.429 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Br)c(C)c1 ZINC000501918516 1095000843 /nfs/dbraw/zinc/00/08/43/1095000843.db2.gz QFLXQWVTWMLBOS-UHFFFAOYSA-N 2 1 364.331 4.429 20 0 FIADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000420962719 1095201414 /nfs/dbraw/zinc/20/14/14/1095201414.db2.gz KWVQPHYGDKCFHX-KDURUIRLSA-N 2 1 370.459 4.072 20 0 FIADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000420962719 1095201453 /nfs/dbraw/zinc/20/14/53/1095201453.db2.gz KWVQPHYGDKCFHX-KDURUIRLSA-N 2 1 370.459 4.072 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000502282636 1095304419 /nfs/dbraw/zinc/30/44/19/1095304419.db2.gz OJYBICSKGRBHDW-MJGOQNOKSA-N 2 1 362.558 4.045 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000280953138 1095463189 /nfs/dbraw/zinc/46/31/89/1095463189.db2.gz IWLADRHVKYSOJF-JRRMTSHWSA-N 2 1 374.594 4.074 20 0 FIADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359359 1095556317 /nfs/dbraw/zinc/55/63/17/1095556317.db2.gz WUHYPBWZHWTUPC-HSZRJFAPSA-N 2 1 364.537 4.193 20 0 FIADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359359 1095556330 /nfs/dbraw/zinc/55/63/30/1095556330.db2.gz WUHYPBWZHWTUPC-HSZRJFAPSA-N 2 1 364.537 4.193 20 0 FIADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359359 1095556344 /nfs/dbraw/zinc/55/63/44/1095556344.db2.gz WUHYPBWZHWTUPC-HSZRJFAPSA-N 2 1 364.537 4.193 20 0 FIADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359359 1095556359 /nfs/dbraw/zinc/55/63/59/1095556359.db2.gz WUHYPBWZHWTUPC-HSZRJFAPSA-N 2 1 364.537 4.193 20 0 FIADMP CO[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]21 ZINC001168050489 1095721512 /nfs/dbraw/zinc/72/15/12/1095721512.db2.gz BGGBUPCVJYQBFQ-NFVALVNTSA-N 2 1 356.554 4.175 20 0 FIADMP CO[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]21 ZINC001168050489 1095721523 /nfs/dbraw/zinc/72/15/23/1095721523.db2.gz BGGBUPCVJYQBFQ-NFVALVNTSA-N 2 1 356.554 4.175 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](c1ccccc1)C2 ZINC000503073703 1096050152 /nfs/dbraw/zinc/05/01/52/1096050152.db2.gz OSKLHWAYBDCTLQ-JTHBVZDNSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](c1ccccc1)C2 ZINC000503073703 1096050161 /nfs/dbraw/zinc/05/01/61/1096050161.db2.gz OSKLHWAYBDCTLQ-JTHBVZDNSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](c1ccccc1)C2 ZINC000503073703 1096050172 /nfs/dbraw/zinc/05/01/72/1096050172.db2.gz OSKLHWAYBDCTLQ-JTHBVZDNSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](c1ccccc1)C2 ZINC000503073703 1096050183 /nfs/dbraw/zinc/05/01/83/1096050183.db2.gz OSKLHWAYBDCTLQ-JTHBVZDNSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](c1ccccc1)C2 ZINC000503073700 1096050604 /nfs/dbraw/zinc/05/06/04/1096050604.db2.gz OSKLHWAYBDCTLQ-FYYLOGMGSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](c1ccccc1)C2 ZINC000503073700 1096050616 /nfs/dbraw/zinc/05/06/16/1096050616.db2.gz OSKLHWAYBDCTLQ-FYYLOGMGSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](c1ccccc1)C2 ZINC000503073700 1096050630 /nfs/dbraw/zinc/05/06/30/1096050630.db2.gz OSKLHWAYBDCTLQ-FYYLOGMGSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](c1ccccc1)C2 ZINC000503073700 1096050640 /nfs/dbraw/zinc/05/06/40/1096050640.db2.gz OSKLHWAYBDCTLQ-FYYLOGMGSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc(C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)c2ccc(OC)cc2)cc1 ZINC000503076960 1096054424 /nfs/dbraw/zinc/05/44/24/1096054424.db2.gz WOVQFOICAPMELG-REWPJTCUSA-N 2 1 368.521 4.062 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1C ZINC000272911135 1096221840 /nfs/dbraw/zinc/22/18/40/1096221840.db2.gz LOILMFOAGIAKPE-QGZVFWFLSA-N 2 1 371.525 4.171 20 0 FIADMP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1C ZINC000272911133 1096222272 /nfs/dbraw/zinc/22/22/72/1096222272.db2.gz LOILMFOAGIAKPE-KRWDZBQOSA-N 2 1 371.525 4.171 20 0 FIADMP Fc1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000273456932 1096263704 /nfs/dbraw/zinc/26/37/04/1096263704.db2.gz PSSGFOHIGHJPGL-XZOQPEGZSA-N 2 1 368.496 4.300 20 0 FIADMP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422695313 1096454064 /nfs/dbraw/zinc/45/40/64/1096454064.db2.gz PJUZAKDGMYEBLZ-LAUBAEHRSA-N 2 1 369.509 4.140 20 0 FIADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC000422723301 1096471272 /nfs/dbraw/zinc/47/12/72/1096471272.db2.gz QUXKHAZISRFMBS-ZWKOTPCHSA-N 2 1 372.394 4.126 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OCCCC(C)C)c1 ZINC000422875162 1096518127 /nfs/dbraw/zinc/51/81/27/1096518127.db2.gz OLKHQDDAOXDNME-YPAWHYETSA-N 2 1 374.569 4.057 20 0 FIADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893444 1096524988 /nfs/dbraw/zinc/52/49/88/1096524988.db2.gz QPOVVOJNPOSJAY-QJPTWQEYSA-N 2 1 368.344 4.349 20 0 FIADMP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422943473 1096534424 /nfs/dbraw/zinc/53/44/24/1096534424.db2.gz KIYXZQVDDRKYRS-RTBURBONSA-N 2 1 359.311 4.270 20 0 FIADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423021381 1096551683 /nfs/dbraw/zinc/55/16/83/1096551683.db2.gz BXNYJEZNXRUHKX-KUHUBIRLSA-N 2 1 367.320 4.058 20 0 FIADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423097918 1096574074 /nfs/dbraw/zinc/57/40/74/1096574074.db2.gz RMZDRZSRGQKPDM-HSCHXYMDSA-N 2 1 362.439 4.500 20 0 FIADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122104 1096579385 /nfs/dbraw/zinc/57/93/85/1096579385.db2.gz KESWBENDVBKENL-XUVXKRRUSA-N 2 1 362.439 4.491 20 0 FIADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000503950476 1096602755 /nfs/dbraw/zinc/60/27/55/1096602755.db2.gz UHFIVSARMDGUJI-OMQSBVIBSA-N 2 1 364.480 4.037 20 0 FIADMP FC(F)(F)c1cccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)c1 ZINC000423187134 1096609693 /nfs/dbraw/zinc/60/96/93/1096609693.db2.gz LXSKDEAGEVESOW-IBGZPJMESA-N 2 1 363.427 4.321 20 0 FIADMP COc1ccc(C[C@@H]([NH2+]CC2C[NH2+]C2)c2cc(Cl)ccc2Cl)cc1 ZINC000423308343 1096640364 /nfs/dbraw/zinc/64/03/64/1096640364.db2.gz XMVLDBMJBQWAFA-LJQANCHMSA-N 2 1 365.304 4.095 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423394956 1096664743 /nfs/dbraw/zinc/66/47/43/1096664743.db2.gz NACSSAVRLPZANE-HPEXNQPKSA-N 2 1 357.723 4.141 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423399103 1096667356 /nfs/dbraw/zinc/66/73/56/1096667356.db2.gz PJXFGAGBZMLTGT-BWACUDIHSA-N 2 1 367.324 4.136 20 0 FIADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000423540676 1096716134 /nfs/dbraw/zinc/71/61/34/1096716134.db2.gz ABVALXZRAIULTC-GOSISDBHSA-N 2 1 363.505 4.077 20 0 FIADMP C[C@H](CCO)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000515439748 1098578592 /nfs/dbraw/zinc/57/85/92/1098578592.db2.gz LNMSXCCWYGTFNZ-JSRJAPPDSA-N 2 1 358.570 4.208 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000533010332 1098685664 /nfs/dbraw/zinc/68/56/64/1098685664.db2.gz XBCVDXBMXFZCPO-UHFFFAOYSA-N 2 1 358.448 4.180 20 0 FIADMP Cc1ncsc1C[N@@H+](CCCc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000436058808 1098686214 /nfs/dbraw/zinc/68/62/14/1098686214.db2.gz ZPUZTAIOIJWUCQ-KRWDZBQOSA-N 2 1 363.958 4.149 20 0 FIADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)[N@@H+](C)Cc1ccccc1 ZINC000436241883 1098847383 /nfs/dbraw/zinc/84/73/83/1098847383.db2.gz LDPABSNTHJOYCT-MRXNPFEDSA-N 2 1 354.523 4.138 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)CCCC2)CC1 ZINC000436252263 1098866160 /nfs/dbraw/zinc/86/61/60/1098866160.db2.gz LCQACTFBICXWCV-RTWAWAEBSA-N 2 1 356.554 4.336 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309930 1098945983 /nfs/dbraw/zinc/94/59/83/1098945983.db2.gz GTOKMHSWBWKSFH-ZFWWWQNUSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309930 1098945984 /nfs/dbraw/zinc/94/59/84/1098945984.db2.gz GTOKMHSWBWKSFH-ZFWWWQNUSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309930 1098945991 /nfs/dbraw/zinc/94/59/91/1098945991.db2.gz GTOKMHSWBWKSFH-ZFWWWQNUSA-N 2 1 372.340 4.127 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000515900793 1099019582 /nfs/dbraw/zinc/01/95/82/1099019582.db2.gz YVBVXXIVKHIQHY-XZOQPEGZSA-N 2 1 368.496 4.023 20 0 FIADMP CC[NH+](CC)Cc1ccccc1Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001211996422 1099220476 /nfs/dbraw/zinc/22/04/76/1099220476.db2.gz YZKKLDBPHMRFRF-UHFFFAOYSA-N 2 1 366.553 4.019 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000247932326 1099394853 /nfs/dbraw/zinc/39/48/53/1099394853.db2.gz CDWMAEUUGCCMLZ-CUAXAMRHSA-N 2 1 370.562 4.300 20 0 FIADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccccc2)cc1OC ZINC000067667279 1099475200 /nfs/dbraw/zinc/47/52/00/1099475200.db2.gz XZBFNJRBQULPMZ-UHFFFAOYSA-N 2 1 366.505 4.087 20 0 FIADMP C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693516 1099824058 /nfs/dbraw/zinc/82/40/58/1099824058.db2.gz CVCMDXPYEWRFFT-NQIIRXRSSA-N 2 1 372.940 4.357 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508698000 1099830569 /nfs/dbraw/zinc/83/05/69/1099830569.db2.gz KPYCSKMQAGRMIZ-QNWVGRARSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698000 1099830579 /nfs/dbraw/zinc/83/05/79/1099830579.db2.gz KPYCSKMQAGRMIZ-QNWVGRARSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698000 1099830591 /nfs/dbraw/zinc/83/05/91/1099830591.db2.gz KPYCSKMQAGRMIZ-QNWVGRARSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508698000 1099830601 /nfs/dbraw/zinc/83/06/01/1099830601.db2.gz KPYCSKMQAGRMIZ-QNWVGRARSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508698000 1099830610 /nfs/dbraw/zinc/83/06/10/1099830610.db2.gz KPYCSKMQAGRMIZ-QNWVGRARSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702501 1099854919 /nfs/dbraw/zinc/85/49/19/1099854919.db2.gz ZILSBGHWGDQPLV-AOIWGVFYSA-N 2 1 374.475 4.232 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702684 1099857252 /nfs/dbraw/zinc/85/72/52/1099857252.db2.gz WHKNJEUQZNNMDK-RXVVDRJESA-N 2 1 367.537 4.259 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709833 1099899171 /nfs/dbraw/zinc/89/91/71/1099899171.db2.gz JWNLOLYUTWNSMH-GMHONNGPSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712669 1099903162 /nfs/dbraw/zinc/90/31/62/1099903162.db2.gz RMVOUBRDVSVNQI-MZKRTTBSSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000508712288 1099903752 /nfs/dbraw/zinc/90/37/52/1099903752.db2.gz QLRNQJPADKUIMM-LGVFNWMJSA-N 2 1 366.549 4.340 20 0 FIADMP C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722245 1099940116 /nfs/dbraw/zinc/94/01/16/1099940116.db2.gz WWZUFQXBUHBYPC-ICSRJNTNSA-N 2 1 352.497 4.358 20 0 FIADMP C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722670 1099942422 /nfs/dbraw/zinc/94/24/22/1099942422.db2.gz YJVDMFLEUXLQJB-FXAWDEMLSA-N 2 1 365.496 4.350 20 0 FIADMP C/C(=C/c1ccccc1)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000536665586 1100139207 /nfs/dbraw/zinc/13/92/07/1100139207.db2.gz RXBPCMQCBJQHID-VZCXRCSSSA-N 2 1 369.597 4.218 20 0 FIADMP C/C(=C/c1ccccc1)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536665586 1100139214 /nfs/dbraw/zinc/13/92/14/1100139214.db2.gz RXBPCMQCBJQHID-VZCXRCSSSA-N 3 1 369.597 4.218 20 0 FIADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536665586 1100139234 /nfs/dbraw/zinc/13/92/34/1100139234.db2.gz RXBPCMQCBJQHID-VZCXRCSSSA-N 3 1 369.597 4.218 20 0 FIADMP FC(F)(F)c1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000459421673 1100151227 /nfs/dbraw/zinc/15/12/27/1100151227.db2.gz MVEKOHBGGRFPEY-UHFFFAOYSA-N 2 1 352.444 4.344 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000536672704 1100160517 /nfs/dbraw/zinc/16/05/17/1100160517.db2.gz GWPALXHDMZOSFS-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000536672704 1100160528 /nfs/dbraw/zinc/16/05/28/1100160528.db2.gz GWPALXHDMZOSFS-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000536672704 1100160539 /nfs/dbraw/zinc/16/05/39/1100160539.db2.gz GWPALXHDMZOSFS-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000536672704 1100160545 /nfs/dbraw/zinc/16/05/45/1100160545.db2.gz GWPALXHDMZOSFS-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440423 1100174434 /nfs/dbraw/zinc/17/44/34/1100174434.db2.gz USMPOKPKQUUGBA-JXFKEZNVSA-N 2 1 360.523 4.025 20 0 FIADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440423 1100174440 /nfs/dbraw/zinc/17/44/40/1100174440.db2.gz USMPOKPKQUUGBA-JXFKEZNVSA-N 2 1 360.523 4.025 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000536704328 1100210558 /nfs/dbraw/zinc/21/05/58/1100210558.db2.gz ZSJGFCCOHKUVCA-LJQANCHMSA-N 2 1 351.538 4.376 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000191495625 1100234592 /nfs/dbraw/zinc/23/45/92/1100234592.db2.gz DFIVBDSSYPLPER-UHFFFAOYSA-N 2 1 350.304 4.120 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000191495625 1100234600 /nfs/dbraw/zinc/23/46/00/1100234600.db2.gz DFIVBDSSYPLPER-UHFFFAOYSA-N 2 1 350.304 4.120 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1)CC1CC1 ZINC000536737687 1100261219 /nfs/dbraw/zinc/26/12/19/1100261219.db2.gz QTEQYSMCFHUEET-INIZCTEOSA-N 2 1 365.587 4.185 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1)CC1CC1 ZINC000536737687 1100261231 /nfs/dbraw/zinc/26/12/31/1100261231.db2.gz QTEQYSMCFHUEET-INIZCTEOSA-N 2 1 365.587 4.185 20 0 FIADMP Cc1nc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459539950 1100287897 /nfs/dbraw/zinc/28/78/97/1100287897.db2.gz XGAIEMREJRFACJ-NRFANRHFSA-N 2 1 368.525 4.035 20 0 FIADMP Cc1nc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459539950 1100287908 /nfs/dbraw/zinc/28/79/08/1100287908.db2.gz XGAIEMREJRFACJ-NRFANRHFSA-N 2 1 368.525 4.035 20 0 FIADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000536824361 1100341021 /nfs/dbraw/zinc/34/10/21/1100341021.db2.gz BIZCMEUPTOKEJU-AUSIDOKSSA-N 2 1 368.569 4.382 20 0 FIADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000536824361 1100341031 /nfs/dbraw/zinc/34/10/31/1100341031.db2.gz BIZCMEUPTOKEJU-AUSIDOKSSA-N 2 1 368.569 4.382 20 0 FIADMP COc1ccc(Oc2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)cc1 ZINC000536824975 1100342376 /nfs/dbraw/zinc/34/23/76/1100342376.db2.gz DZUYQYPSVRWLJS-MJGOQNOKSA-N 2 1 354.494 4.102 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000536853096 1100368432 /nfs/dbraw/zinc/36/84/32/1100368432.db2.gz PRBDNBAURUGOMJ-YLJYHZDGSA-N 2 1 364.961 4.098 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2cccs2)C2CCCC2)C[C@H](C)O1 ZINC000536857258 1100373594 /nfs/dbraw/zinc/37/35/94/1100373594.db2.gz KRFVCJUJJSJAEA-FUHIMQAGSA-N 2 1 350.572 4.458 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000536857028 1100374023 /nfs/dbraw/zinc/37/40/23/1100374023.db2.gz IMJYBZNNVVNRFZ-GJZGRUSLSA-N 2 1 353.432 4.457 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000536869141 1100387962 /nfs/dbraw/zinc/38/79/62/1100387962.db2.gz KOCCFGDLNFISDV-ZIAGYGMSSA-N 2 1 355.404 4.120 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000459656320 1100401873 /nfs/dbraw/zinc/40/18/73/1100401873.db2.gz VUKXTQQBLLEGIM-LJQANCHMSA-N 2 1 369.528 4.229 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000536854643 1100402374 /nfs/dbraw/zinc/40/23/74/1100402374.db2.gz YMWSCRUOBLCZNI-DIFFPNOSSA-N 2 1 366.278 4.006 20 0 FIADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2csc3ccccc23)c2cccs2)CC1 ZINC000517525499 1100453093 /nfs/dbraw/zinc/45/30/93/1100453093.db2.gz QHJDJYFJIFHFFU-SFHVURJKSA-N 2 1 371.575 4.041 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)c1 ZINC000517629924 1100571934 /nfs/dbraw/zinc/57/19/34/1100571934.db2.gz BLGIRFPIEPKVSA-CVDCTZTESA-N 2 1 364.533 4.227 20 0 FIADMP Cc1cnccc1OC1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000425999505 1100643224 /nfs/dbraw/zinc/64/32/24/1100643224.db2.gz DGMNGWFWSHEPJM-UHFFFAOYSA-N 2 1 355.463 4.150 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000426036155 1100693661 /nfs/dbraw/zinc/69/36/61/1100693661.db2.gz OYKBQPWVKCRGTB-YUXAGFNASA-N 2 1 364.533 4.195 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000426036155 1100693663 /nfs/dbraw/zinc/69/36/63/1100693663.db2.gz OYKBQPWVKCRGTB-YUXAGFNASA-N 2 1 364.533 4.195 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccccc3)CC1)C2 ZINC000426052623 1100740419 /nfs/dbraw/zinc/74/04/19/1100740419.db2.gz YYDGENUXORSFGH-GCJKJVERSA-N 2 1 364.533 4.368 20 0 FIADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438829247 1100949110 /nfs/dbraw/zinc/94/91/10/1100949110.db2.gz ZJZTVZWMSMDEQF-SBOSXTITSA-N 2 1 358.570 4.470 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000438845537 1100952393 /nfs/dbraw/zinc/95/23/93/1100952393.db2.gz ZKEGRNHPIVCEMO-UHFFFAOYSA-N 3 1 357.586 4.328 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474823 1101110897 /nfs/dbraw/zinc/11/08/97/1101110897.db2.gz PXTYZQOUHOMEBV-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474823 1101110905 /nfs/dbraw/zinc/11/09/05/1101110905.db2.gz PXTYZQOUHOMEBV-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474823 1101110926 /nfs/dbraw/zinc/11/09/26/1101110926.db2.gz PXTYZQOUHOMEBV-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474823 1101110932 /nfs/dbraw/zinc/11/09/32/1101110932.db2.gz PXTYZQOUHOMEBV-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426327991 1101281009 /nfs/dbraw/zinc/28/10/09/1101281009.db2.gz WQRFKOFZJQXRDI-RKVPGOIHSA-N 2 1 365.359 4.189 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426327992 1101281240 /nfs/dbraw/zinc/28/12/40/1101281240.db2.gz WQRFKOFZJQXRDI-RVKKMQEKSA-N 2 1 365.359 4.189 20 0 FIADMP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000426331242 1101291197 /nfs/dbraw/zinc/29/11/97/1101291197.db2.gz NHACVWOOGJIICH-LBTNJELSSA-N 2 1 363.343 4.289 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000426345733 1101324081 /nfs/dbraw/zinc/32/40/81/1101324081.db2.gz NCDAAWIKHKPSAK-IIBYNOLFSA-N 2 1 356.535 4.005 20 0 FIADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000459733355 1101351056 /nfs/dbraw/zinc/35/10/56/1101351056.db2.gz NKEHUBOTYQRAQL-IBGZPJMESA-N 2 1 368.521 4.096 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000426355031 1101351708 /nfs/dbraw/zinc/35/17/08/1101351708.db2.gz XKWGKCOEHUQONI-ODULNIPZSA-N 2 1 370.562 4.251 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)cc1 ZINC000459713221 1101355057 /nfs/dbraw/zinc/35/50/57/1101355057.db2.gz OCYQKAZKAZYGSJ-UHFFFAOYSA-N 2 1 354.460 4.246 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000459741300 1101366373 /nfs/dbraw/zinc/36/63/73/1101366373.db2.gz VGSFALYDSREOSR-QGZVFWFLSA-N 2 1 373.928 4.136 20 0 FIADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)o1 ZINC000537173844 1101518388 /nfs/dbraw/zinc/51/83/88/1101518388.db2.gz LJODFTBNIVITGY-LSTHTHJFSA-N 2 1 366.505 4.481 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000178323843 1101530434 /nfs/dbraw/zinc/53/04/34/1101530434.db2.gz WNUFYYPFMNQJBE-DLBZAZTESA-N 2 1 372.476 4.173 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000183152873 1101621551 /nfs/dbraw/zinc/62/15/51/1101621551.db2.gz IQGONCUOLKZHAW-INIZCTEOSA-N 2 1 373.456 4.446 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000537306038 1101631446 /nfs/dbraw/zinc/63/14/46/1101631446.db2.gz BRPKJBGZDZIRBI-DQLDELGASA-N 2 1 370.537 4.414 20 0 FIADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000537308532 1101636267 /nfs/dbraw/zinc/63/62/67/1101636267.db2.gz RWKFQMCJLSHDHF-QGZVFWFLSA-N 2 1 354.469 4.317 20 0 FIADMP Clc1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000648452087 1101728607 /nfs/dbraw/zinc/72/86/07/1101728607.db2.gz FOTSNJWDUCBSPK-QMMLZNLJSA-N 2 1 362.945 4.209 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000392714823 1101849055 /nfs/dbraw/zinc/84/90/55/1101849055.db2.gz ZJPGLRAEIOMWMN-YGRLFVJLSA-N 2 1 354.338 4.297 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000392714823 1101849072 /nfs/dbraw/zinc/84/90/72/1101849072.db2.gz ZJPGLRAEIOMWMN-YGRLFVJLSA-N 2 1 354.338 4.297 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000519192337 1101988072 /nfs/dbraw/zinc/98/80/72/1101988072.db2.gz BPUJCUMYRFUFFR-FPOVZHCZSA-N 2 1 367.537 4.364 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000519192337 1101988074 /nfs/dbraw/zinc/98/80/74/1101988074.db2.gz BPUJCUMYRFUFFR-FPOVZHCZSA-N 2 1 367.537 4.364 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000519222205 1102019375 /nfs/dbraw/zinc/01/93/75/1102019375.db2.gz SFFBTFOBBXAMNJ-VQTJNVASSA-N 2 1 373.585 4.005 20 0 FIADMP FC(F)(F)c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(C(F)(F)F)c1 ZINC000327908478 1102025266 /nfs/dbraw/zinc/02/52/66/1102025266.db2.gz QILPENUJUKUMJV-BETUJISGSA-N 2 1 366.349 4.156 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000187833887 1102322195 /nfs/dbraw/zinc/32/21/95/1102322195.db2.gz PJFVJUOWVKYLQJ-VGOFRKELSA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000187833887 1102322209 /nfs/dbraw/zinc/32/22/09/1102322209.db2.gz PJFVJUOWVKYLQJ-VGOFRKELSA-N 2 1 356.485 4.287 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000532442824 1102332037 /nfs/dbraw/zinc/33/20/37/1102332037.db2.gz LQSPPTFXKTWPRM-QAPCUYQASA-N 2 1 363.958 4.041 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000532442570 1102332753 /nfs/dbraw/zinc/33/27/53/1102332753.db2.gz JZTWBOVUZLCYBM-RTBURBONSA-N 2 1 352.522 4.441 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000121239996 1102354902 /nfs/dbraw/zinc/35/49/02/1102354902.db2.gz PLYQQHPLSYKIIT-UHFFFAOYSA-N 2 1 370.324 4.163 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000121239996 1102354914 /nfs/dbraw/zinc/35/49/14/1102354914.db2.gz PLYQQHPLSYKIIT-UHFFFAOYSA-N 2 1 370.324 4.163 20 0 FIADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001168343043 1102360420 /nfs/dbraw/zinc/36/04/20/1102360420.db2.gz FHGMIMADXNBFTH-USXQIBFBSA-N 2 1 362.945 4.019 20 0 FIADMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001168343043 1102360434 /nfs/dbraw/zinc/36/04/34/1102360434.db2.gz FHGMIMADXNBFTH-USXQIBFBSA-N 2 1 362.945 4.019 20 0 FIADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001168343043 1102360448 /nfs/dbraw/zinc/36/04/48/1102360448.db2.gz FHGMIMADXNBFTH-USXQIBFBSA-N 2 1 362.945 4.019 20 0 FIADMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001168343043 1102360459 /nfs/dbraw/zinc/36/04/59/1102360459.db2.gz FHGMIMADXNBFTH-USXQIBFBSA-N 2 1 362.945 4.019 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cccc(Br)c2)[C@@H](C)C1 ZINC000537635827 1102382206 /nfs/dbraw/zinc/38/22/06/1102382206.db2.gz ZDQLHQXDHLTUPY-VKJFTORMSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2cccc(Br)c2)[C@@H](C)C1 ZINC000537635827 1102382210 /nfs/dbraw/zinc/38/22/10/1102382210.db2.gz ZDQLHQXDHLTUPY-VKJFTORMSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2cccc(Br)c2)[C@@H](C)C1 ZINC000537635827 1102382227 /nfs/dbraw/zinc/38/22/27/1102382227.db2.gz ZDQLHQXDHLTUPY-VKJFTORMSA-N 2 1 353.348 4.215 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)cc1 ZINC000121554463 1102415238 /nfs/dbraw/zinc/41/52/38/1102415238.db2.gz HGWMJJPMOPNKDP-FGSXEWAUSA-N 2 1 363.505 4.386 20 0 FIADMP c1cc2c(c3c1CC[C@H]3CC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167971211 1102438240 /nfs/dbraw/zinc/43/82/40/1102438240.db2.gz SPVBUUKWMMBTLL-UDEWTMQYSA-N 2 1 366.549 4.036 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000122264376 1102553513 /nfs/dbraw/zinc/55/35/13/1102553513.db2.gz RMOATJYQPLOLOK-GJYPPUQNSA-N 2 1 368.949 4.136 20 0 FIADMP Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664835374 1102643046 /nfs/dbraw/zinc/64/30/46/1102643046.db2.gz FBBRXSZRTCIMHE-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000664835376 1102644028 /nfs/dbraw/zinc/64/40/28/1102644028.db2.gz FBBRXSZRTCIMHE-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP COCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000550861099 1102644626 /nfs/dbraw/zinc/64/46/26/1102644626.db2.gz WETNHCIGGUAJLC-BHDDXSALSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881680 1102651354 /nfs/dbraw/zinc/65/13/54/1102651354.db2.gz BDYZAMNLLFVBIF-NFBKMPQASA-N 2 1 364.533 4.266 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccn1 ZINC000550886299 1102658011 /nfs/dbraw/zinc/65/80/11/1102658011.db2.gz GUSWWWNTEQTLHE-ROUUACIJSA-N 2 1 353.510 4.173 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000550886243 1102658473 /nfs/dbraw/zinc/65/84/73/1102658473.db2.gz NOKFQIKJNQAKAT-MOPGFXCFSA-N 2 1 362.521 4.417 20 0 FIADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168253021 1102660808 /nfs/dbraw/zinc/66/08/08/1102660808.db2.gz VFBOTMRJDWCHLC-YPAWHYETSA-N 2 1 368.496 4.074 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000127396411 1102726249 /nfs/dbraw/zinc/72/62/49/1102726249.db2.gz ADJHRTJKMGJBMN-HKUYNNGSSA-N 2 1 368.443 4.025 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000127396411 1102726257 /nfs/dbraw/zinc/72/62/57/1102726257.db2.gz ADJHRTJKMGJBMN-HKUYNNGSSA-N 2 1 368.443 4.025 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000550999180 1102762576 /nfs/dbraw/zinc/76/25/76/1102762576.db2.gz MCSJAZHHYWBVOP-AWEZNQCLSA-N 2 1 357.361 4.208 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012507 1102781966 /nfs/dbraw/zinc/78/19/66/1102781966.db2.gz RLIXMRKNMIAUIN-OALUTQOASA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012507 1102781981 /nfs/dbraw/zinc/78/19/81/1102781981.db2.gz RLIXMRKNMIAUIN-OALUTQOASA-N 2 1 359.311 4.374 20 0 FIADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000459358596 1102912702 /nfs/dbraw/zinc/91/27/02/1102912702.db2.gz BKTSKKLISONWFQ-FDQBOKQBSA-N 2 1 362.517 4.353 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000551176115 1102948772 /nfs/dbraw/zinc/94/87/72/1102948772.db2.gz UOJALELOZIIAHO-OUFMZXHOSA-N 2 1 351.538 4.103 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697495 1102980209 /nfs/dbraw/zinc/98/02/09/1102980209.db2.gz RTGKFDRUFLABQU-YJBOKZPZSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697495 1102980214 /nfs/dbraw/zinc/98/02/14/1102980214.db2.gz RTGKFDRUFLABQU-YJBOKZPZSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000537697495 1102980218 /nfs/dbraw/zinc/98/02/18/1102980218.db2.gz RTGKFDRUFLABQU-YJBOKZPZSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000537697495 1102980221 /nfs/dbraw/zinc/98/02/21/1102980221.db2.gz RTGKFDRUFLABQU-YJBOKZPZSA-N 2 1 354.416 4.034 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265306 1103024568 /nfs/dbraw/zinc/02/45/68/1103024568.db2.gz SRJUMNYDZMWURH-CTNGQTDRSA-N 2 1 368.521 4.167 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265306 1103024580 /nfs/dbraw/zinc/02/45/80/1103024580.db2.gz SRJUMNYDZMWURH-CTNGQTDRSA-N 2 1 368.521 4.167 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000507212937 1103218494 /nfs/dbraw/zinc/21/84/94/1103218494.db2.gz OGVPXKXZKFNROX-UHFFFAOYSA-N 2 1 354.542 4.031 20 0 FIADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)s2)cc1 ZINC000514693202 1103273134 /nfs/dbraw/zinc/27/31/34/1103273134.db2.gz KCVNMDDQTHJFFV-LJQANCHMSA-N 2 1 355.551 4.282 20 0 FIADMP CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000507377061 1103332437 /nfs/dbraw/zinc/33/24/37/1103332437.db2.gz HQQJRPNISWUVLE-GOSISDBHSA-N 2 1 362.477 4.112 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507459369 1103403090 /nfs/dbraw/zinc/40/30/90/1103403090.db2.gz FUGPYZVKESFTKZ-FJIJXJHWSA-N 2 1 359.517 4.211 20 0 FIADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000507481384 1103425100 /nfs/dbraw/zinc/42/51/00/1103425100.db2.gz CRUAUDXMGTYCMH-LMVRJCEZSA-N 2 1 351.538 4.451 20 0 FIADMP CCc1cccnc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000507481384 1103425106 /nfs/dbraw/zinc/42/51/06/1103425106.db2.gz CRUAUDXMGTYCMH-LMVRJCEZSA-N 2 1 351.538 4.451 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000507485673 1103433395 /nfs/dbraw/zinc/43/33/95/1103433395.db2.gz UZJXHYILLWOSRL-XFQXTVEOSA-N 2 1 355.551 4.329 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000507485673 1103433399 /nfs/dbraw/zinc/43/33/99/1103433399.db2.gz UZJXHYILLWOSRL-XFQXTVEOSA-N 2 1 355.551 4.329 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCc4ccc5ccccc5n4)[C@H]3C2)cc1 ZINC000507519019 1103463779 /nfs/dbraw/zinc/46/37/79/1103463779.db2.gz GQZBXBDWPMVYMT-RSEQLOHWSA-N 2 1 371.528 4.278 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1CCCOC1 ZINC000507530886 1103474506 /nfs/dbraw/zinc/47/45/06/1103474506.db2.gz QOTQJQAKXIYRHC-QPPBQGQZSA-N 2 1 366.549 4.484 20 0 FIADMP c1cc([C@@H]2CCCN2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694062 1103519023 /nfs/dbraw/zinc/51/90/23/1103519023.db2.gz MEHWZFHOXSPPQN-RTWAWAEBSA-N 2 1 356.535 4.176 20 0 FIADMP c1cc([C@@H]2CCCN2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694062 1103519039 /nfs/dbraw/zinc/51/90/39/1103519039.db2.gz MEHWZFHOXSPPQN-RTWAWAEBSA-N 2 1 356.535 4.176 20 0 FIADMP c1ccc2c(c1)CCC21CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167987609 1103719476 /nfs/dbraw/zinc/71/94/76/1103719476.db2.gz LWQQSUAWDRGHOT-CBQGHPETSA-N 2 1 350.550 4.372 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187996997 1103733914 /nfs/dbraw/zinc/73/39/14/1103733914.db2.gz QVUGGMKIAPWIIX-PBFPGSCMSA-N 2 1 358.423 4.194 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000514098535 1103782089 /nfs/dbraw/zinc/78/20/89/1103782089.db2.gz HQZAZVJBHQRQTH-UHFFFAOYSA-N 2 1 374.532 4.405 20 0 FIADMP CCC[N@H+](Cc1nc(C)c(C)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000477739851 1103841589 /nfs/dbraw/zinc/84/15/89/1103841589.db2.gz BTBBSNRBFVFVTH-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP CCC[N@@H+](Cc1nc(C)c(C)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000477739851 1103841613 /nfs/dbraw/zinc/84/16/13/1103841613.db2.gz BTBBSNRBFVFVTH-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@H](C)C1 ZINC000440688626 1103888603 /nfs/dbraw/zinc/88/86/03/1103888603.db2.gz GSRRJAVXKIBUAJ-QUCCMNQESA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@H](C)C1 ZINC000440688626 1103888611 /nfs/dbraw/zinc/88/86/11/1103888611.db2.gz GSRRJAVXKIBUAJ-QUCCMNQESA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@H](C)C1 ZINC000440688626 1103888613 /nfs/dbraw/zinc/88/86/13/1103888613.db2.gz GSRRJAVXKIBUAJ-QUCCMNQESA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000538274875 1104094643 /nfs/dbraw/zinc/09/46/43/1104094643.db2.gz LHMRDEFVAJUDST-HSZRJFAPSA-N 2 1 357.586 4.315 20 0 FIADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246885651 1104211215 /nfs/dbraw/zinc/21/12/15/1104211215.db2.gz FCVWDAWMIHZSOM-GIWBLDEGSA-N 2 1 368.496 4.335 20 0 FIADMP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394963 1104330650 /nfs/dbraw/zinc/33/06/50/1104330650.db2.gz QFBIAHQGEOXWAT-KKSFZXQISA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394963 1104330662 /nfs/dbraw/zinc/33/06/62/1104330662.db2.gz QFBIAHQGEOXWAT-KKSFZXQISA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394963 1104330671 /nfs/dbraw/zinc/33/06/71/1104330671.db2.gz QFBIAHQGEOXWAT-KKSFZXQISA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394963 1104330681 /nfs/dbraw/zinc/33/06/81/1104330681.db2.gz QFBIAHQGEOXWAT-KKSFZXQISA-N 2 1 371.912 4.444 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4ccccc43)CC2)oc1C ZINC000112547313 1104369858 /nfs/dbraw/zinc/36/98/58/1104369858.db2.gz CRWBBQQMXYDSFC-NRFANRHFSA-N 2 1 353.510 4.171 20 0 FIADMP c1ccc2c(c1)cccc2OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441419135 1104399341 /nfs/dbraw/zinc/39/93/41/1104399341.db2.gz JJURSYUUAFFQPX-UGKGYDQZSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419135 1104399353 /nfs/dbraw/zinc/39/93/53/1104399353.db2.gz JJURSYUUAFFQPX-UGKGYDQZSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441419135 1104399364 /nfs/dbraw/zinc/39/93/64/1104399364.db2.gz JJURSYUUAFFQPX-UGKGYDQZSA-N 2 1 350.506 4.167 20 0 FIADMP Cc1ccccc1O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995737 1104558228 /nfs/dbraw/zinc/55/82/28/1104558228.db2.gz PFPFKPVJLJTQKR-PJEZACDQSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1ccccc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995737 1104558236 /nfs/dbraw/zinc/55/82/36/1104558236.db2.gz PFPFKPVJLJTQKR-PJEZACDQSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000189274395 1104792574 /nfs/dbraw/zinc/79/25/74/1104792574.db2.gz DDSJVIPPFHBSPC-IRLDBZIGSA-N 2 1 364.537 4.063 20 0 FIADMP Fc1cccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168004336 1105033576 /nfs/dbraw/zinc/03/35/76/1105033576.db2.gz SYTRKYBQYNLFAF-AIZNXBIQSA-N 2 1 356.529 4.486 20 0 FIADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000507809873 1105175600 /nfs/dbraw/zinc/17/56/00/1105175600.db2.gz FQEQHJPFZFDARW-ODAXIHTASA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809873 1105175605 /nfs/dbraw/zinc/17/56/05/1105175605.db2.gz FQEQHJPFZFDARW-ODAXIHTASA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809873 1105175607 /nfs/dbraw/zinc/17/56/07/1105175607.db2.gz FQEQHJPFZFDARW-ODAXIHTASA-N 2 1 356.554 4.178 20 0 FIADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000474024436 1105348534 /nfs/dbraw/zinc/34/85/34/1105348534.db2.gz PUHAFKGHMGDFDI-NRFANRHFSA-N 2 1 365.521 4.380 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390877686 1106776622 /nfs/dbraw/zinc/77/66/22/1106776622.db2.gz UOKABMOOCMGKKN-JOCHJYFZSA-N 2 1 352.522 4.128 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390877686 1106776635 /nfs/dbraw/zinc/77/66/35/1106776635.db2.gz UOKABMOOCMGKKN-JOCHJYFZSA-N 2 1 352.522 4.128 20 0 FIADMP Brc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192922425 1106903162 /nfs/dbraw/zinc/90/31/62/1106903162.db2.gz GSNKYEJAHKIPEM-HNNXBMFYSA-N 2 1 365.340 4.122 20 0 FIADMP Brc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192922425 1106903164 /nfs/dbraw/zinc/90/31/64/1106903164.db2.gz GSNKYEJAHKIPEM-HNNXBMFYSA-N 2 1 365.340 4.122 20 0 FIADMP Brc1csc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192931632 1106905561 /nfs/dbraw/zinc/90/55/61/1106905561.db2.gz PLQAVYFXFSVDQH-HNNXBMFYSA-N 2 1 365.340 4.122 20 0 FIADMP CSc1cccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(F)c(F)c2)c1 ZINC000530460247 1107054312 /nfs/dbraw/zinc/05/43/12/1107054312.db2.gz CJIKAYLTOGQBTD-HXUWFJFHSA-N 2 1 373.472 4.342 20 0 FIADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301717555 1107121849 /nfs/dbraw/zinc/12/18/49/1107121849.db2.gz ODMBNSLSMVARSU-RDTXWAMCSA-N 2 1 361.436 4.065 20 0 FIADMP CC[NH+]1CCC([N@H+](C)CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000530666114 1107222393 /nfs/dbraw/zinc/22/23/93/1107222393.db2.gz NYTFCHGYJGNMIM-UHFFFAOYSA-N 2 1 352.522 4.209 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000530666114 1107222402 /nfs/dbraw/zinc/22/24/02/1107222402.db2.gz NYTFCHGYJGNMIM-UHFFFAOYSA-N 2 1 352.522 4.209 20 0 FIADMP CC[NH+]1CCC([N@H+](C)CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000530905428 1107391263 /nfs/dbraw/zinc/39/12/63/1107391263.db2.gz INZRUZPXHJHEOP-UHFFFAOYSA-N 2 1 358.448 4.281 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000530905428 1107391278 /nfs/dbraw/zinc/39/12/78/1107391278.db2.gz INZRUZPXHJHEOP-UHFFFAOYSA-N 2 1 358.448 4.281 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000530914432 1107408782 /nfs/dbraw/zinc/40/87/82/1107408782.db2.gz DOXMNDXFDOPWFH-RBUKOAKNSA-N 2 1 374.960 4.164 20 0 FIADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434274 1107454569 /nfs/dbraw/zinc/45/45/69/1107454569.db2.gz KZVGBAQAQQCUGX-WZONZLPQSA-N 2 1 368.496 4.192 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152444249 1107651317 /nfs/dbraw/zinc/65/13/17/1107651317.db2.gz LYQDGBCZYMSWEW-CRAIPNDOSA-N 2 1 355.551 4.177 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152444249 1107651328 /nfs/dbraw/zinc/65/13/28/1107651328.db2.gz LYQDGBCZYMSWEW-CRAIPNDOSA-N 2 1 355.551 4.177 20 0 FIADMP Cc1nc(COc2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)cs1 ZINC000475581577 1107800192 /nfs/dbraw/zinc/80/01/92/1107800192.db2.gz PENJXWWLWUMLBW-UHFFFAOYSA-N 2 1 371.550 4.137 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444640093 1108058550 /nfs/dbraw/zinc/05/85/50/1108058550.db2.gz MZVMTRBELFDHJM-GOSISDBHSA-N 2 1 365.587 4.124 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444640093 1108058566 /nfs/dbraw/zinc/05/85/66/1108058566.db2.gz MZVMTRBELFDHJM-GOSISDBHSA-N 2 1 365.587 4.124 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000531700367 1108080321 /nfs/dbraw/zinc/08/03/21/1108080321.db2.gz KOGJSCZMLYMQCD-QHCPKHFHSA-N 2 1 352.522 4.061 20 0 FIADMP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000531723995 1108115023 /nfs/dbraw/zinc/11/50/23/1108115023.db2.gz HSXVKCLQZBRPEF-BJKOFHAPSA-N 2 1 364.533 4.469 20 0 FIADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000531723998 1108115103 /nfs/dbraw/zinc/11/51/03/1108115103.db2.gz HSXVKCLQZBRPEF-ZEQRLZLVSA-N 2 1 364.533 4.469 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3csc(C)c3)cc2)CC1 ZINC000453060251 1108136769 /nfs/dbraw/zinc/13/67/69/1108136769.db2.gz JPSNATYXRQSTSV-GOSISDBHSA-N 2 1 357.567 4.045 20 0 FIADMP CCC(CC)(C[NH2+][C@H](C)C1(OC)CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000453106047 1108174894 /nfs/dbraw/zinc/17/48/94/1108174894.db2.gz CTSIYJZKPKIUPO-RBUKOAKNSA-N 2 1 362.558 4.070 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000523449043 1108232138 /nfs/dbraw/zinc/23/21/38/1108232138.db2.gz VCBDVQUFHACGBB-QGZVFWFLSA-N 2 1 356.432 4.035 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000523449043 1108232150 /nfs/dbraw/zinc/23/21/50/1108232150.db2.gz VCBDVQUFHACGBB-QGZVFWFLSA-N 2 1 356.432 4.035 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453194811 1108264435 /nfs/dbraw/zinc/26/44/35/1108264435.db2.gz IGLUSVHWENVHJE-QTEQDKRBSA-N 2 1 351.538 4.293 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2sccc21 ZINC000453198628 1108267776 /nfs/dbraw/zinc/26/77/76/1108267776.db2.gz QHUUNOIGCCPYCJ-MOXGXCLJSA-N 2 1 356.535 4.043 20 0 FIADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000531851015 1108268857 /nfs/dbraw/zinc/26/88/57/1108268857.db2.gz JGHZPNBSMUPFIV-UTKZUKDTSA-N 2 1 367.537 4.223 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncn1 ZINC000453231310 1108303735 /nfs/dbraw/zinc/30/37/35/1108303735.db2.gz XTVHCCYALQEPPH-QIOKEVSGSA-N 2 1 370.928 4.395 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH+]3CCC[C@H]3C2)CCCCC1 ZINC000714226702 1108402246 /nfs/dbraw/zinc/40/22/46/1108402246.db2.gz OAWUAYHBLAJUKD-VXKWHMMOSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000714226702 1108402249 /nfs/dbraw/zinc/40/22/49/1108402249.db2.gz OAWUAYHBLAJUKD-VXKWHMMOSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000714226702 1108402257 /nfs/dbraw/zinc/40/22/57/1108402257.db2.gz OAWUAYHBLAJUKD-VXKWHMMOSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939142 1108416351 /nfs/dbraw/zinc/41/63/51/1108416351.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939142 1108416353 /nfs/dbraw/zinc/41/63/53/1108416353.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939142 1108416359 /nfs/dbraw/zinc/41/63/59/1108416359.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939142 1108416369 /nfs/dbraw/zinc/41/63/69/1108416369.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939142 1108416380 /nfs/dbraw/zinc/41/63/80/1108416380.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939142 1108416389 /nfs/dbraw/zinc/41/63/89/1108416389.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939142 1108416395 /nfs/dbraw/zinc/41/63/95/1108416395.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939142 1108416398 /nfs/dbraw/zinc/41/63/98/1108416398.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939142 1108416406 /nfs/dbraw/zinc/41/64/06/1108416406.db2.gz XOKDIVRYBJYSGO-SELNLUPBSA-N 2 1 357.586 4.269 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@]4(CCSC4)C2)C3)cc1 ZINC000453353467 1108452818 /nfs/dbraw/zinc/45/28/18/1108452818.db2.gz JEPVYILWXPZJAY-LRSLUSHPSA-N 2 1 356.579 4.401 20 0 FIADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@]4(CCSC4)C2)C3)cc1 ZINC000453353467 1108452826 /nfs/dbraw/zinc/45/28/26/1108452826.db2.gz JEPVYILWXPZJAY-LRSLUSHPSA-N 2 1 356.579 4.401 20 0 FIADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@]4(CCSC4)C2)C3)cc1 ZINC000453353467 1108452830 /nfs/dbraw/zinc/45/28/30/1108452830.db2.gz JEPVYILWXPZJAY-LRSLUSHPSA-N 2 1 356.579 4.401 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21)C1CC1 ZINC000453389407 1108476600 /nfs/dbraw/zinc/47/66/00/1108476600.db2.gz CHUUDVNLRZFJNW-KRWDZBQOSA-N 2 1 367.331 4.127 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000531970130 1108478729 /nfs/dbraw/zinc/47/87/29/1108478729.db2.gz PDSFGTAXYKTHQE-QGZVFWFLSA-N 2 1 371.525 4.171 20 0 FIADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375608 1108494290 /nfs/dbraw/zinc/49/42/90/1108494290.db2.gz XYUFOVXBZZLOOD-ITQWMJHLSA-N 2 1 357.325 4.364 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000453395316 1108526607 /nfs/dbraw/zinc/52/66/07/1108526607.db2.gz HSFDQVGALDOKJV-MRXNPFEDSA-N 2 1 355.295 4.040 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000532119770 1108678468 /nfs/dbraw/zinc/67/84/68/1108678468.db2.gz GMDFKBJPVSYSNJ-HROJSSOGSA-N 2 1 362.517 4.209 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000532193763 1108701584 /nfs/dbraw/zinc/70/15/84/1108701584.db2.gz ZNAYFBQWQDFPTE-GCJKJVERSA-N 2 1 362.521 4.004 20 0 FIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000532362001 1108770660 /nfs/dbraw/zinc/77/06/60/1108770660.db2.gz FSTSVABCRICRGS-UHFFFAOYSA-N 2 1 372.557 4.134 20 0 FIADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000532362001 1108770670 /nfs/dbraw/zinc/77/06/70/1108770670.db2.gz FSTSVABCRICRGS-UHFFFAOYSA-N 2 1 372.557 4.134 20 0 FIADMP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000524114676 1108834862 /nfs/dbraw/zinc/83/48/62/1108834862.db2.gz KQRJHGDBSFTAHI-UHFFFAOYSA-N 2 1 353.554 4.331 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1OC ZINC000469988902 1109295053 /nfs/dbraw/zinc/29/50/53/1109295053.db2.gz ARGNZLWZCBAKEO-UHFFFAOYSA-N 2 1 354.922 4.101 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000525267301 1109324832 /nfs/dbraw/zinc/32/48/32/1109324832.db2.gz NGQUMVROUFAXFK-AUSIDOKSSA-N 2 1 351.538 4.001 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749916 1109328252 /nfs/dbraw/zinc/32/82/52/1109328252.db2.gz CYJLHOQYDVBQMX-PXAZEXFGSA-N 2 1 371.750 4.485 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749916 1109328258 /nfs/dbraw/zinc/32/82/58/1109328258.db2.gz CYJLHOQYDVBQMX-PXAZEXFGSA-N 2 1 371.750 4.485 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000446752328 1109330066 /nfs/dbraw/zinc/33/00/66/1109330066.db2.gz HBMHMOSYAPYVSR-UHFFFAOYSA-N 2 1 363.493 4.496 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@@H+]1C ZINC000525708909 1109488206 /nfs/dbraw/zinc/48/82/06/1109488206.db2.gz SFSROETWGKZTBH-DOTOQJQBSA-N 2 1 371.912 4.165 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@H+]1C ZINC000525708909 1109488210 /nfs/dbraw/zinc/48/82/10/1109488210.db2.gz SFSROETWGKZTBH-DOTOQJQBSA-N 2 1 371.912 4.165 20 0 FIADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586195 1109587706 /nfs/dbraw/zinc/58/77/06/1109587706.db2.gz MSMRKFPBCWOCBI-BXXSPATCSA-N 2 1 368.496 4.298 20 0 FIADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586195 1109587708 /nfs/dbraw/zinc/58/77/08/1109587708.db2.gz MSMRKFPBCWOCBI-BXXSPATCSA-N 2 1 368.496 4.298 20 0 FIADMP Fc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1F ZINC000447590413 1109589794 /nfs/dbraw/zinc/58/97/94/1109589794.db2.gz CLPYMHGCBIZNTP-REPLKXPHSA-N 2 1 374.450 4.432 20 0 FIADMP COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)cn1 ZINC000528044119 1109897617 /nfs/dbraw/zinc/89/76/17/1109897617.db2.gz RDSIZRRGCCKJGQ-QRQCRPRQSA-N 2 1 362.477 4.386 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049880 1109968600 /nfs/dbraw/zinc/96/86/00/1109968600.db2.gz SNAGKKZNCHSUSC-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049880 1109968601 /nfs/dbraw/zinc/96/86/01/1109968601.db2.gz SNAGKKZNCHSUSC-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049880 1109968605 /nfs/dbraw/zinc/96/86/05/1109968605.db2.gz SNAGKKZNCHSUSC-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049880 1109968607 /nfs/dbraw/zinc/96/86/07/1109968607.db2.gz SNAGKKZNCHSUSC-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449073096 1109972851 /nfs/dbraw/zinc/97/28/51/1109972851.db2.gz MJBMGFDMNQPNCZ-GFCCVEGCSA-N 2 1 362.449 4.019 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449082255 1109974916 /nfs/dbraw/zinc/97/49/16/1109974916.db2.gz LWULMNILMPENIN-IBGZPJMESA-N 2 1 367.537 4.054 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000449083407 1109975624 /nfs/dbraw/zinc/97/56/24/1109975624.db2.gz UALXJZWLCPYCFU-JOCHJYFZSA-N 2 1 371.613 4.184 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000449137648 1109983807 /nfs/dbraw/zinc/98/38/07/1109983807.db2.gz YVLBEAMKXGJMCV-JTSKRJEESA-N 2 1 350.506 4.065 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000449137647 1109983922 /nfs/dbraw/zinc/98/39/22/1109983922.db2.gz YVLBEAMKXGJMCV-HTAPYJJXSA-N 2 1 350.506 4.065 20 0 FIADMP COCC1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000449156488 1109986861 /nfs/dbraw/zinc/98/68/61/1109986861.db2.gz DNEUUCKJIMHAGR-UHFFFAOYSA-N 2 1 356.510 4.206 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449165436 1109990371 /nfs/dbraw/zinc/99/03/71/1109990371.db2.gz WAJVLOAIPKZTBN-UHFFFAOYSA-N 2 1 354.523 4.003 20 0 FIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)CC1 ZINC000449325910 1110026619 /nfs/dbraw/zinc/02/66/19/1110026619.db2.gz QKYUKXHGODEGBM-HXUWFJFHSA-N 2 1 369.578 4.092 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC[C@@H]3CCc4ccccc43)sc2C1 ZINC000449375871 1110043162 /nfs/dbraw/zinc/04/31/62/1110043162.db2.gz JQSQVWBYJPIXGN-KRWDZBQOSA-N 2 1 355.551 4.119 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH+]2CCC(OCCOC(C)C)CC2)cc1 ZINC000449730762 1110154672 /nfs/dbraw/zinc/15/46/72/1110154672.db2.gz RYKBSQLSWMDMPW-GOSISDBHSA-N 2 1 371.525 4.148 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000120368886 1110242672 /nfs/dbraw/zinc/24/26/72/1110242672.db2.gz QTMIEQRZZCUNLC-UHFFFAOYSA-N 2 1 352.482 4.191 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000120368886 1110242674 /nfs/dbraw/zinc/24/26/74/1110242674.db2.gz QTMIEQRZZCUNLC-UHFFFAOYSA-N 2 1 352.482 4.191 20 0 FIADMP CCC[N@H+](C[C@H]1CCC(F)(F)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450566786 1110314873 /nfs/dbraw/zinc/31/48/73/1110314873.db2.gz SHMLVPGZRRIUAU-KRWDZBQOSA-N 2 1 366.500 4.210 20 0 FIADMP CCC[N@@H+](C[C@H]1CCC(F)(F)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450566786 1110314875 /nfs/dbraw/zinc/31/48/75/1110314875.db2.gz SHMLVPGZRRIUAU-KRWDZBQOSA-N 2 1 366.500 4.210 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCCC1(F)F ZINC000450644137 1110322145 /nfs/dbraw/zinc/32/21/45/1110322145.db2.gz BBCWLUFYNXBTPK-SFHVURJKSA-N 2 1 351.485 4.445 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1)CC(C)C ZINC000450651328 1110324850 /nfs/dbraw/zinc/32/48/50/1110324850.db2.gz OZRQJKYSROAOQF-UHFFFAOYSA-N 2 1 374.495 4.025 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1)CC(C)C ZINC000450651328 1110324852 /nfs/dbraw/zinc/32/48/52/1110324852.db2.gz OZRQJKYSROAOQF-UHFFFAOYSA-N 2 1 374.495 4.025 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@@H+]1C ZINC000538717850 1111260231 /nfs/dbraw/zinc/26/02/31/1111260231.db2.gz DQFBPLBMSVJXRB-XLIONFOSSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000538717850 1111260235 /nfs/dbraw/zinc/26/02/35/1111260235.db2.gz DQFBPLBMSVJXRB-XLIONFOSSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717850 1111260240 /nfs/dbraw/zinc/26/02/40/1111260240.db2.gz DQFBPLBMSVJXRB-XLIONFOSSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717850 1111260243 /nfs/dbraw/zinc/26/02/43/1111260243.db2.gz DQFBPLBMSVJXRB-XLIONFOSSA-N 2 1 356.485 4.319 20 0 FIADMP CC[C@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000538723583 1111262862 /nfs/dbraw/zinc/26/28/62/1111262862.db2.gz NOMYXARHLGRDIG-JOCHJYFZSA-N 2 1 371.613 4.308 20 0 FIADMP CC[C@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000538723583 1111262865 /nfs/dbraw/zinc/26/28/65/1111262865.db2.gz NOMYXARHLGRDIG-JOCHJYFZSA-N 3 1 371.613 4.308 20 0 FIADMP CC[C@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000538723583 1111262866 /nfs/dbraw/zinc/26/28/66/1111262866.db2.gz NOMYXARHLGRDIG-JOCHJYFZSA-N 3 1 371.613 4.308 20 0 FIADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000538733505 1111269474 /nfs/dbraw/zinc/26/94/74/1111269474.db2.gz YODXIXGUJCREMX-HSZRJFAPSA-N 2 1 360.505 4.051 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000538733505 1111269477 /nfs/dbraw/zinc/26/94/77/1111269477.db2.gz YODXIXGUJCREMX-HSZRJFAPSA-N 2 1 360.505 4.051 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000538733505 1111269479 /nfs/dbraw/zinc/26/94/79/1111269479.db2.gz YODXIXGUJCREMX-HSZRJFAPSA-N 2 1 360.505 4.051 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000538750945 1111281829 /nfs/dbraw/zinc/28/18/29/1111281829.db2.gz HLUUPZUBYLMSHX-HXUWFJFHSA-N 2 1 373.566 4.051 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000538750945 1111281836 /nfs/dbraw/zinc/28/18/36/1111281836.db2.gz HLUUPZUBYLMSHX-HXUWFJFHSA-N 2 1 373.566 4.051 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000539037793 1111398391 /nfs/dbraw/zinc/39/83/91/1111398391.db2.gz SMIOCYQFEFUFDN-CDIGIKMISA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000539037793 1111398396 /nfs/dbraw/zinc/39/83/96/1111398396.db2.gz SMIOCYQFEFUFDN-CDIGIKMISA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000539062130 1111408274 /nfs/dbraw/zinc/40/82/74/1111408274.db2.gz SXRXXFPVHANDKL-MAUKXSAKSA-N 2 1 365.359 4.191 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000539065352 1111416195 /nfs/dbraw/zinc/41/61/95/1111416195.db2.gz GWZGSLDUKCPZRH-NWDGAFQWSA-N 2 1 354.267 4.080 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000539075834 1111420713 /nfs/dbraw/zinc/42/07/13/1111420713.db2.gz MPEIJHVRAPDZOP-CVDCTZTESA-N 2 1 354.538 4.109 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552056385 1111559852 /nfs/dbraw/zinc/55/98/52/1111559852.db2.gz ATHUTBIDRCTHCC-XFUTXVRSSA-N 2 1 352.444 4.414 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000552053590 1111568410 /nfs/dbraw/zinc/56/84/10/1111568410.db2.gz MVVMVRJQXQWEHG-CSODTCANSA-N 2 1 352.469 4.180 20 0 FIADMP COC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000477921195 1111609881 /nfs/dbraw/zinc/60/98/81/1111609881.db2.gz WHGGJGFBSJXPGB-QGZVFWFLSA-N 2 1 358.448 4.105 20 0 FIADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC000552273259 1111654298 /nfs/dbraw/zinc/65/42/98/1111654298.db2.gz AUWLPDMXIMZCIB-FCHUYYIVSA-N 2 1 356.554 4.180 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000552588377 1111754348 /nfs/dbraw/zinc/75/43/48/1111754348.db2.gz XEEQKJDUORHAAR-GBESFXJTSA-N 2 1 371.352 4.412 20 0 FIADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000478549401 1111807037 /nfs/dbraw/zinc/80/70/37/1111807037.db2.gz NCATYKZOZVNPHK-NRFANRHFSA-N 2 1 360.505 4.113 20 0 FIADMP Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000097287794 1111935897 /nfs/dbraw/zinc/93/58/97/1111935897.db2.gz HWRCDAXXTNGMMA-SFHVURJKSA-N 2 1 370.924 4.493 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334877 1111998661 /nfs/dbraw/zinc/99/86/61/1111998661.db2.gz JVOYLKPCTVKWTG-RXVVDRJESA-N 2 1 352.526 4.104 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334877 1111998664 /nfs/dbraw/zinc/99/86/64/1111998664.db2.gz JVOYLKPCTVKWTG-RXVVDRJESA-N 2 1 352.526 4.104 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384672 1112005766 /nfs/dbraw/zinc/00/57/66/1112005766.db2.gz BWLMAXKJCAYHOX-KNQAVFIVSA-N 2 1 366.553 4.207 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384672 1112005772 /nfs/dbraw/zinc/00/57/72/1112005772.db2.gz BWLMAXKJCAYHOX-KNQAVFIVSA-N 2 1 366.553 4.207 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479397833 1112012958 /nfs/dbraw/zinc/01/29/58/1112012958.db2.gz XPSCVOLOIDEVAW-HXUWFJFHSA-N 2 1 352.526 4.102 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464293 1112034425 /nfs/dbraw/zinc/03/44/25/1112034425.db2.gz LPCSBUDWUKUGQD-PZJWPPBQSA-N 2 1 360.505 4.045 20 0 FIADMP Brc1cccc2c1CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479544891 1112063881 /nfs/dbraw/zinc/06/38/81/1112063881.db2.gz NNEYQNNPRMQNIT-JFIBYHEFSA-N 2 1 363.343 4.433 20 0 FIADMP COc1c(Br)cccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000479553113 1112069573 /nfs/dbraw/zinc/06/95/73/1112069573.db2.gz PLCSRWOEPWTKDM-OAHLLOKOSA-N 2 1 369.347 4.202 20 0 FIADMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000479678935 1112111665 /nfs/dbraw/zinc/11/16/65/1112111665.db2.gz VQNQDBACOBCPRA-UHFFFAOYSA-N 2 1 372.340 4.034 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000479765604 1112135182 /nfs/dbraw/zinc/13/51/82/1112135182.db2.gz DIDHZRUVWPDPEY-DNVCBOLYSA-N 2 1 373.368 4.263 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000479879635 1112175741 /nfs/dbraw/zinc/17/57/41/1112175741.db2.gz AIDLYJLFAMJHIT-LJQANCHMSA-N 2 1 364.533 4.248 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000479899249 1112181156 /nfs/dbraw/zinc/18/11/56/1112181156.db2.gz ILOSLDXVNNFBSI-RTBURBONSA-N 2 1 374.573 4.475 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c(F)cn1 ZINC000554073259 1112183898 /nfs/dbraw/zinc/18/38/98/1112183898.db2.gz WXOBEAZWWUYNIN-KRWDZBQOSA-N 2 1 371.500 4.456 20 0 FIADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479889562 1112187040 /nfs/dbraw/zinc/18/70/40/1112187040.db2.gz VRHCHULXRYRVIA-GAJHUEQPSA-N 2 1 368.496 4.071 20 0 FIADMP CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479891728 1112187738 /nfs/dbraw/zinc/18/77/38/1112187738.db2.gz YIIJGLZHOPPUOG-HSZRJFAPSA-N 2 1 352.522 4.322 20 0 FIADMP Brc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000480159864 1112308707 /nfs/dbraw/zinc/30/87/07/1112308707.db2.gz FBRPDBAALHLCHU-OAHLLOKOSA-N 2 1 355.345 4.062 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000480171368 1112315265 /nfs/dbraw/zinc/31/52/65/1112315265.db2.gz KLRDBDHBRIILAY-KRWDZBQOSA-N 2 1 355.295 4.040 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000480173297 1112315932 /nfs/dbraw/zinc/31/59/32/1112315932.db2.gz VSDSKHSUEONXQM-QGZVFWFLSA-N 2 1 367.331 4.127 20 0 FIADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000480222592 1112337486 /nfs/dbraw/zinc/33/74/86/1112337486.db2.gz BIZRUUVFNBCPEQ-GOSISDBHSA-N 2 1 355.551 4.121 20 0 FIADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000480222592 1112337492 /nfs/dbraw/zinc/33/74/92/1112337492.db2.gz BIZRUUVFNBCPEQ-GOSISDBHSA-N 2 1 355.551 4.121 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000480225876 1112339118 /nfs/dbraw/zinc/33/91/18/1112339118.db2.gz NEDWHCCVWBIGLX-MRXNPFEDSA-N 2 1 361.917 4.306 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)cc(F)c1 ZINC000480229363 1112340424 /nfs/dbraw/zinc/34/04/24/1112340424.db2.gz PXPPJKWEGHDLHZ-IXDOHACOSA-N 2 1 374.475 4.425 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000480241364 1112345715 /nfs/dbraw/zinc/34/57/15/1112345715.db2.gz MVPITPLIZVICAJ-ZCNNSNEGSA-N 2 1 352.522 4.455 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000554552854 1112397046 /nfs/dbraw/zinc/39/70/46/1112397046.db2.gz NCEDPKGIEUOPTJ-QGZVFWFLSA-N 2 1 358.476 4.417 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccsc3Cl)CC2)cs1 ZINC000480361904 1112401949 /nfs/dbraw/zinc/40/19/49/1112401949.db2.gz XZVHWPCVHKEZDG-UHFFFAOYSA-N 2 1 369.987 4.422 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000480369854 1112408173 /nfs/dbraw/zinc/40/81/73/1112408173.db2.gz JJGZCEGZMWIBRO-HSZRJFAPSA-N 2 1 364.533 4.130 20 0 FIADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000030907189 1112464910 /nfs/dbraw/zinc/46/49/10/1112464910.db2.gz QPMWXZKGXZCNJF-AWEZNQCLSA-N 2 1 353.491 4.130 20 0 FIADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000030907189 1112464913 /nfs/dbraw/zinc/46/49/13/1112464913.db2.gz QPMWXZKGXZCNJF-AWEZNQCLSA-N 2 1 353.491 4.130 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000480643854 1112518740 /nfs/dbraw/zinc/51/87/40/1112518740.db2.gz SYHKYGRDOOUQCB-ROUUACIJSA-N 2 1 372.532 4.483 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480636649 1112523417 /nfs/dbraw/zinc/52/34/17/1112523417.db2.gz CVSUNBKZMJXRTP-MSOLQXFVSA-N 2 1 366.505 4.498 20 0 FIADMP CCC[N@@H+](C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccc(Cl)cc1 ZINC000667733358 1112564124 /nfs/dbraw/zinc/56/41/24/1112564124.db2.gz AURPDBLQYVJZPU-IBGZPJMESA-N 2 1 374.916 4.003 20 0 FIADMP Fc1cccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccc(F)c2)c1 ZINC000480742152 1112581247 /nfs/dbraw/zinc/58/12/47/1112581247.db2.gz BLDKFABCCZHPOP-VGOFRKELSA-N 2 1 356.460 4.323 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745816 1112583274 /nfs/dbraw/zinc/58/32/74/1112583274.db2.gz OWNJKWRUYOTLID-SXLOBPIMSA-N 2 1 352.526 4.075 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745816 1112583280 /nfs/dbraw/zinc/58/32/80/1112583280.db2.gz OWNJKWRUYOTLID-SXLOBPIMSA-N 2 1 352.526 4.075 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000480779415 1112594233 /nfs/dbraw/zinc/59/42/33/1112594233.db2.gz KMOBGTBTWLPHQO-HXUWFJFHSA-N 2 1 371.594 4.286 20 0 FIADMP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000480770603 1112596948 /nfs/dbraw/zinc/59/69/48/1112596948.db2.gz PBIPCTNFYYYSGF-GOSISDBHSA-N 2 1 369.528 4.249 20 0 FIADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000554972303 1112599921 /nfs/dbraw/zinc/59/99/21/1112599921.db2.gz JCJRYGSLLDEXEN-QGZVFWFLSA-N 2 1 370.459 4.282 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000481330979 1112903556 /nfs/dbraw/zinc/90/35/56/1112903556.db2.gz FHCIRRRIOJUFPD-KRWDZBQOSA-N 2 1 352.478 4.039 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536835 1112913656 /nfs/dbraw/zinc/91/36/56/1112913656.db2.gz ABJGDEPZEZCZIM-NVXWUHKLSA-N 2 1 365.359 4.016 20 0 FIADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481420535 1112937555 /nfs/dbraw/zinc/93/75/55/1112937555.db2.gz CQUIKRBYJBTROP-SFHVURJKSA-N 2 1 367.306 4.182 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1C ZINC000481549258 1112974819 /nfs/dbraw/zinc/97/48/19/1112974819.db2.gz WRVPYQSHAQPDMW-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1C ZINC000481549258 1112974823 /nfs/dbraw/zinc/97/48/23/1112974823.db2.gz WRVPYQSHAQPDMW-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000481555072 1112980412 /nfs/dbraw/zinc/98/04/12/1112980412.db2.gz CUSOUIJJYSKNHM-QZMQVMSPSA-N 2 1 368.496 4.070 20 0 FIADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000481555072 1112980417 /nfs/dbraw/zinc/98/04/17/1112980417.db2.gz CUSOUIJJYSKNHM-QZMQVMSPSA-N 2 1 368.496 4.070 20 0 FIADMP C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)CC1 ZINC000481911133 1113135168 /nfs/dbraw/zinc/13/51/68/1113135168.db2.gz DHBSCWWXWDEPKF-KRWDZBQOSA-N 2 1 351.332 4.245 20 0 FIADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCO2)cc1 ZINC000481951862 1113140483 /nfs/dbraw/zinc/14/04/83/1113140483.db2.gz IJRAUFBRZCIAQJ-FGZHOGPDSA-N 2 1 360.517 4.433 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992126 1113146531 /nfs/dbraw/zinc/14/65/31/1113146531.db2.gz PPDNWBVJKQGDHC-IAGOWNOFSA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992126 1113146533 /nfs/dbraw/zinc/14/65/33/1113146533.db2.gz PPDNWBVJKQGDHC-IAGOWNOFSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992126 1113146535 /nfs/dbraw/zinc/14/65/35/1113146535.db2.gz PPDNWBVJKQGDHC-IAGOWNOFSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992126 1113146538 /nfs/dbraw/zinc/14/65/38/1113146538.db2.gz PPDNWBVJKQGDHC-IAGOWNOFSA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992127 1113146682 /nfs/dbraw/zinc/14/66/82/1113146682.db2.gz PPDNWBVJKQGDHC-IRXDYDNUSA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992127 1113146684 /nfs/dbraw/zinc/14/66/84/1113146684.db2.gz PPDNWBVJKQGDHC-IRXDYDNUSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992127 1113146686 /nfs/dbraw/zinc/14/66/86/1113146686.db2.gz PPDNWBVJKQGDHC-IRXDYDNUSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992127 1113146688 /nfs/dbraw/zinc/14/66/88/1113146688.db2.gz PPDNWBVJKQGDHC-IRXDYDNUSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000482132203 1113178570 /nfs/dbraw/zinc/17/85/70/1113178570.db2.gz HMZAAXOADXVOQN-VQTJNVASSA-N 2 1 359.558 4.041 20 0 FIADMP CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482120131 1113181189 /nfs/dbraw/zinc/18/11/89/1113181189.db2.gz AHMDKGGKLWEMRN-LEWJYISDSA-N 2 1 373.585 4.240 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123226 1113181802 /nfs/dbraw/zinc/18/18/02/1113181802.db2.gz VGAFPJDQDZWOEU-XUZZJYLKSA-N 2 1 366.549 4.484 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123226 1113181803 /nfs/dbraw/zinc/18/18/03/1113181803.db2.gz VGAFPJDQDZWOEU-XUZZJYLKSA-N 2 1 366.549 4.484 20 0 FIADMP C[N@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000482146014 1113189549 /nfs/dbraw/zinc/18/95/49/1113189549.db2.gz FMBFYAVCJUFNEB-UHFFFAOYSA-N 2 1 364.533 4.151 20 0 FIADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000482146014 1113189550 /nfs/dbraw/zinc/18/95/50/1113189550.db2.gz FMBFYAVCJUFNEB-UHFFFAOYSA-N 2 1 364.533 4.151 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000482231229 1113204672 /nfs/dbraw/zinc/20/46/72/1113204672.db2.gz VKJNMCBAUSHMGL-LJQANCHMSA-N 2 1 364.533 4.369 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000482340825 1113229950 /nfs/dbraw/zinc/22/99/50/1113229950.db2.gz BWKLDFTVEVIRCZ-KBPBESRZSA-N 2 1 357.311 4.359 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456634 1113260491 /nfs/dbraw/zinc/26/04/91/1113260491.db2.gz IFFUYPRODZXAIA-MJGOQNOKSA-N 2 1 356.485 4.050 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456634 1113260497 /nfs/dbraw/zinc/26/04/97/1113260497.db2.gz IFFUYPRODZXAIA-MJGOQNOKSA-N 2 1 356.485 4.050 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2cccs2)cc1 ZINC000482898711 1113395188 /nfs/dbraw/zinc/39/51/88/1113395188.db2.gz ZLAPUQWUVSUCBJ-FXAWDEMLSA-N 2 1 358.551 4.303 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000483137039 1113446327 /nfs/dbraw/zinc/44/63/27/1113446327.db2.gz SZXDMYGEAAPVQU-SCTDSRPQSA-N 2 1 364.599 4.415 20 0 FIADMP CCCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000483157791 1113457130 /nfs/dbraw/zinc/45/71/30/1113457130.db2.gz MVDITEHNQHSBFC-SFHVURJKSA-N 2 1 353.510 4.498 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1cccc(Br)c1 ZINC000483220414 1113467961 /nfs/dbraw/zinc/46/79/61/1113467961.db2.gz WUEXXPPPWAGLJF-RLFYNMQTSA-N 2 1 353.348 4.090 20 0 FIADMP C[C@@H](NCc1csc(-c2ccco2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514876 1113585527 /nfs/dbraw/zinc/58/55/27/1113585527.db2.gz FKAZJYGKBUNHNM-SJLPKXTDSA-N 2 1 367.518 4.403 20 0 FIADMP Clc1ccc(CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000668692264 1113655762 /nfs/dbraw/zinc/65/57/62/1113655762.db2.gz HLIMKUXTPQMLSW-QGZVFWFLSA-N 2 1 371.352 4.159 20 0 FIADMP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1)c1ccccc1 ZINC000488105749 1113855873 /nfs/dbraw/zinc/85/58/73/1113855873.db2.gz CXWCNSXYVJRYRQ-OYNPSCLESA-N 2 1 354.538 4.197 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000489508280 1114126191 /nfs/dbraw/zinc/12/61/91/1114126191.db2.gz JPYADKNGDJMXEJ-NRFANRHFSA-N 2 1 353.510 4.354 20 0 FIADMP C[C@H]1[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489912908 1114191706 /nfs/dbraw/zinc/19/17/06/1114191706.db2.gz XLDZSBFDLPZACK-CVDCTZTESA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000489912908 1114191710 /nfs/dbraw/zinc/19/17/10/1114191710.db2.gz XLDZSBFDLPZACK-CVDCTZTESA-N 2 1 355.570 4.036 20 0 FIADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000490031011 1114204602 /nfs/dbraw/zinc/20/46/02/1114204602.db2.gz NBFLWTOZXCAVAR-GOSISDBHSA-N 2 1 371.912 4.296 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168591 1114228612 /nfs/dbraw/zinc/22/86/12/1114228612.db2.gz XROWYGDDJJTBRX-JTSKRJEESA-N 2 1 356.485 4.245 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168591 1114228618 /nfs/dbraw/zinc/22/86/18/1114228618.db2.gz XROWYGDDJJTBRX-JTSKRJEESA-N 2 1 356.485 4.245 20 0 FIADMP COc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043183 1114366724 /nfs/dbraw/zinc/36/67/24/1114366724.db2.gz ZTBFAGWHSWHYLD-CVDCTZTESA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043183 1114366728 /nfs/dbraw/zinc/36/67/28/1114366728.db2.gz ZTBFAGWHSWHYLD-CVDCTZTESA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043183 1114366730 /nfs/dbraw/zinc/36/67/30/1114366730.db2.gz ZTBFAGWHSWHYLD-CVDCTZTESA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043184 1114366756 /nfs/dbraw/zinc/36/67/56/1114366756.db2.gz ZTBFAGWHSWHYLD-WMZHIEFXSA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043184 1114366759 /nfs/dbraw/zinc/36/67/59/1114366759.db2.gz ZTBFAGWHSWHYLD-WMZHIEFXSA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043184 1114366761 /nfs/dbraw/zinc/36/67/61/1114366761.db2.gz ZTBFAGWHSWHYLD-WMZHIEFXSA-N 2 1 352.522 4.495 20 0 FIADMP Cc1ccc(C(F)(F)F)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145559 1114433589 /nfs/dbraw/zinc/43/35/89/1114433589.db2.gz WYJAQVRDUUBLFQ-HNNXBMFYSA-N 2 1 370.419 4.232 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1c1ccccc1 ZINC000572370808 1114638123 /nfs/dbraw/zinc/63/81/23/1114638123.db2.gz APHQHDBWHPSVPP-DNQXCXABSA-N 3 1 363.549 4.208 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1c1ccccc1 ZINC000572370808 1114638127 /nfs/dbraw/zinc/63/81/27/1114638127.db2.gz APHQHDBWHPSVPP-DNQXCXABSA-N 3 1 363.549 4.208 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000589836086 1114847036 /nfs/dbraw/zinc/84/70/36/1114847036.db2.gz GJFRILFOCNBEFR-CQSZACIVSA-N 2 1 357.311 4.190 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc(Br)c2)C1 ZINC000589837390 1114847503 /nfs/dbraw/zinc/84/75/03/1114847503.db2.gz SPVJRGCBGUEEFD-IYBDPMFKSA-N 2 1 353.348 4.297 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000589950679 1114866779 /nfs/dbraw/zinc/86/67/79/1114866779.db2.gz BIGFOYBXRHEPBD-QFIPXVFZSA-N 2 1 371.569 4.009 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000589998834 1114873395 /nfs/dbraw/zinc/87/33/95/1114873395.db2.gz UOXYVBJMVKPDKO-UHFFFAOYSA-N 2 1 352.522 4.300 20 0 FIADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168397521 1114889919 /nfs/dbraw/zinc/88/99/19/1114889919.db2.gz OZERCSHWRCGONI-AWEZNQCLSA-N 2 1 351.332 4.316 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)cc1 ZINC000093947695 1115026935 /nfs/dbraw/zinc/02/69/35/1115026935.db2.gz JOIGCYFOSDHJET-GOSISDBHSA-N 2 1 368.569 4.382 20 0 FIADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000573366141 1115094061 /nfs/dbraw/zinc/09/40/61/1115094061.db2.gz FXRXYYGBBHQEFO-QRGRWYIGSA-N 2 1 370.487 4.365 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841882 1115108010 /nfs/dbraw/zinc/10/80/10/1115108010.db2.gz BJGSFYBEOLHHCO-LPHOPBHVSA-N 2 1 361.530 4.338 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841882 1115108011 /nfs/dbraw/zinc/10/80/11/1115108011.db2.gz BJGSFYBEOLHHCO-LPHOPBHVSA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841882 1115108012 /nfs/dbraw/zinc/10/80/12/1115108012.db2.gz BJGSFYBEOLHHCO-LPHOPBHVSA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841882 1115108013 /nfs/dbraw/zinc/10/80/13/1115108013.db2.gz BJGSFYBEOLHHCO-LPHOPBHVSA-N 2 1 361.530 4.338 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cncc(Br)c1 ZINC000573863332 1115192188 /nfs/dbraw/zinc/19/21/88/1115192188.db2.gz OLEKCDCUCDVEPO-SOUVJXGZSA-N 2 1 366.347 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cncc(Br)c1 ZINC000573863332 1115192190 /nfs/dbraw/zinc/19/21/90/1115192190.db2.gz OLEKCDCUCDVEPO-SOUVJXGZSA-N 2 1 366.347 4.148 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC000574062429 1115288267 /nfs/dbraw/zinc/28/82/67/1115288267.db2.gz TZZIUVHSOJESPB-WWMYMODYSA-N 2 1 368.512 4.013 20 0 FIADMP CS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000593654147 1115337396 /nfs/dbraw/zinc/33/73/96/1115337396.db2.gz QYHYRZMTTMYEFB-WOJBJXKFSA-N 2 1 350.547 4.096 20 0 FIADMP C[C@H](c1nc2ccccc2o1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000574996873 1115528458 /nfs/dbraw/zinc/52/84/58/1115528458.db2.gz SVNBSMPZBBLPPH-HOJAQTOUSA-N 2 1 361.489 4.343 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1C ZINC000597052044 1115638482 /nfs/dbraw/zinc/63/84/82/1115638482.db2.gz ZCICYXXWDNHJFU-QGZVFWFLSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1C ZINC000597052044 1115638484 /nfs/dbraw/zinc/63/84/84/1115638484.db2.gz ZCICYXXWDNHJFU-QGZVFWFLSA-N 2 1 370.493 4.039 20 0 FIADMP COc1cccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000669683284 1115778929 /nfs/dbraw/zinc/77/89/29/1115778929.db2.gz OTJUDYMITVBZSF-YPGOJHLTSA-N 2 1 356.485 4.081 20 0 FIADMP COc1cccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000669683284 1115778932 /nfs/dbraw/zinc/77/89/32/1115778932.db2.gz OTJUDYMITVBZSF-YPGOJHLTSA-N 2 1 356.485 4.081 20 0 FIADMP Clc1cccc(Oc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1Cl ZINC000607753504 1116060197 /nfs/dbraw/zinc/06/01/97/1116060197.db2.gz ZDEVQPSRDFHMTL-GJZGRUSLSA-N 2 1 363.288 4.437 20 0 FIADMP CC[N@@H+](Cc1nc2ccccc2nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000608510883 1116113487 /nfs/dbraw/zinc/11/34/87/1116113487.db2.gz QROFYUZXANTJNS-OAQYLSRUSA-N 2 1 374.532 4.282 20 0 FIADMP CC[N@H+](Cc1nc2ccccc2nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000608510883 1116113489 /nfs/dbraw/zinc/11/34/89/1116113489.db2.gz QROFYUZXANTJNS-OAQYLSRUSA-N 2 1 374.532 4.282 20 0 FIADMP CC[NH+](Cc1nc2ccccc2nc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000608510883 1116113490 /nfs/dbraw/zinc/11/34/90/1116113490.db2.gz QROFYUZXANTJNS-OAQYLSRUSA-N 2 1 374.532 4.282 20 0 FIADMP CC[NH+](Cc1nc2ccccc2nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000608510883 1116113492 /nfs/dbraw/zinc/11/34/92/1116113492.db2.gz QROFYUZXANTJNS-OAQYLSRUSA-N 2 1 374.532 4.282 20 0 FIADMP C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000456291085 1116174669 /nfs/dbraw/zinc/17/46/69/1116174669.db2.gz YRRDKOKWAJUVCL-WOJBJXKFSA-N 2 1 371.912 4.130 20 0 FIADMP COc1nc2ccccc2cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000534272810 1116180835 /nfs/dbraw/zinc/18/08/35/1116180835.db2.gz GEROGVVLIAGTBS-UHFFFAOYSA-N 2 1 363.505 4.373 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000534347197 1116186872 /nfs/dbraw/zinc/18/68/72/1116186872.db2.gz XMUAEXOSZREVPM-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP CC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862869 1116392616 /nfs/dbraw/zinc/39/26/16/1116392616.db2.gz MXLYVTMMFGLLES-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862869 1116392618 /nfs/dbraw/zinc/39/26/18/1116392618.db2.gz MXLYVTMMFGLLES-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539862869 1116392620 /nfs/dbraw/zinc/39/26/20/1116392620.db2.gz MXLYVTMMFGLLES-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cc(OC)cc(OC)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539862869 1116392622 /nfs/dbraw/zinc/39/26/22/1116392622.db2.gz MXLYVTMMFGLLES-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000462689166 1116393433 /nfs/dbraw/zinc/39/34/33/1116393433.db2.gz VBAMNLAIPITMMW-KRWDZBQOSA-N 2 1 374.960 4.436 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000462748144 1117750238 /nfs/dbraw/zinc/75/02/38/1117750238.db2.gz GYUNDBDNYGXNKM-CYBMUJFWSA-N 2 1 359.739 4.313 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000462748144 1117750243 /nfs/dbraw/zinc/75/02/43/1117750243.db2.gz GYUNDBDNYGXNKM-CYBMUJFWSA-N 2 1 359.739 4.313 20 0 FIADMP Cc1[nH+]c2ccc(Br)cc2c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000462784365 1117762603 /nfs/dbraw/zinc/76/26/03/1117762603.db2.gz DZHZBQHUJSJJMX-CVEARBPZSA-N 2 1 374.326 4.075 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000462820292 1117795981 /nfs/dbraw/zinc/79/59/81/1117795981.db2.gz VCATYQCAXUEJJG-XFUTXVRSSA-N 2 1 363.343 4.158 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000462884564 1117839614 /nfs/dbraw/zinc/83/96/14/1117839614.db2.gz QVVQPMWQIJZQRN-JOCHJYFZSA-N 2 1 350.506 4.332 20 0 FIADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896312 1117844550 /nfs/dbraw/zinc/84/45/50/1117844550.db2.gz NFOFTYTZCXRCME-JXFKEZNVSA-N 2 1 356.535 4.333 20 0 FIADMP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896312 1117844558 /nfs/dbraw/zinc/84/45/58/1117844558.db2.gz NFOFTYTZCXRCME-JXFKEZNVSA-N 2 1 356.535 4.333 20 0 FIADMP CCc1nc2ccccc2n1C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000540056388 1117845983 /nfs/dbraw/zinc/84/59/83/1117845983.db2.gz RMTHCXBXIVDKEV-GOSISDBHSA-N 2 1 354.542 4.110 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000540159630 1117903939 /nfs/dbraw/zinc/90/39/39/1117903939.db2.gz BFEDEZYJKKXGHY-RBBKRZOGSA-N 2 1 358.570 4.126 20 0 FIADMP COc1ccc2cc([C@H](C)[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000540171554 1117912879 /nfs/dbraw/zinc/91/28/79/1117912879.db2.gz RJOFTMNOKVAVGV-OTWHNJEPSA-N 2 1 370.537 4.388 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000540172693 1117913603 /nfs/dbraw/zinc/91/36/03/1117913603.db2.gz SBTCVUCLFZKZSR-JZXOWHBKSA-N 2 1 370.484 4.218 20 0 FIADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000463026487 1117921273 /nfs/dbraw/zinc/92/12/73/1117921273.db2.gz YTJRCGJXDCTHOA-BHIYHBOVSA-N 2 1 350.572 4.142 20 0 FIADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000463026487 1117921275 /nfs/dbraw/zinc/92/12/75/1117921275.db2.gz YTJRCGJXDCTHOA-BHIYHBOVSA-N 2 1 350.572 4.142 20 0 FIADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073882 1117957733 /nfs/dbraw/zinc/95/77/33/1117957733.db2.gz KQAYJKPFBZPHMU-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073882 1117957736 /nfs/dbraw/zinc/95/77/36/1117957736.db2.gz KQAYJKPFBZPHMU-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)C[C@H]1C ZINC000463105738 1117966694 /nfs/dbraw/zinc/96/66/94/1117966694.db2.gz HCRAKCGXIWYQQO-UYAOXDASSA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@H]1C ZINC000463105738 1117966695 /nfs/dbraw/zinc/96/66/95/1117966695.db2.gz HCRAKCGXIWYQQO-UYAOXDASSA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@H]1C ZINC000463105738 1117966696 /nfs/dbraw/zinc/96/66/96/1117966696.db2.gz HCRAKCGXIWYQQO-UYAOXDASSA-N 2 1 356.558 4.320 20 0 FIADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463106914 1117967442 /nfs/dbraw/zinc/96/74/42/1117967442.db2.gz BSMMNISVBZKMKQ-HXUWFJFHSA-N 2 1 366.549 4.313 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C2CC2)cc1 ZINC000540302123 1117975821 /nfs/dbraw/zinc/97/58/21/1117975821.db2.gz QMPVIDGCHGEKDG-CYFREDJKSA-N 2 1 364.533 4.457 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C2CC2)cc1 ZINC000540302123 1117975822 /nfs/dbraw/zinc/97/58/22/1117975822.db2.gz QMPVIDGCHGEKDG-CYFREDJKSA-N 2 1 364.533 4.457 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000463142193 1117980335 /nfs/dbraw/zinc/98/03/35/1117980335.db2.gz DWHFFMAMVBQIOO-ROUUACIJSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCCC[C@@H]1C ZINC000463142193 1117980338 /nfs/dbraw/zinc/98/03/38/1117980338.db2.gz DWHFFMAMVBQIOO-ROUUACIJSA-N 2 1 363.977 4.157 20 0 FIADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463144902 1117982394 /nfs/dbraw/zinc/98/23/94/1117982394.db2.gz CCVDBGALLCVCRP-RXVVDRJESA-N 2 1 353.510 4.013 20 0 FIADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463144902 1117982396 /nfs/dbraw/zinc/98/23/96/1117982396.db2.gz CCVDBGALLCVCRP-RXVVDRJESA-N 2 1 353.510 4.013 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000540321248 1117983015 /nfs/dbraw/zinc/98/30/15/1117983015.db2.gz RGALMZUNJHIULW-UGSOOPFHSA-N 2 1 362.315 4.331 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132482 1117983587 /nfs/dbraw/zinc/98/35/87/1117983587.db2.gz PFEYZVWFMJUXIX-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132482 1117983590 /nfs/dbraw/zinc/98/35/90/1117983590.db2.gz PFEYZVWFMJUXIX-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136514 1117984618 /nfs/dbraw/zinc/98/46/18/1117984618.db2.gz KKLSOFYAZZKSBP-GBAAUQCPSA-N 2 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136514 1117984622 /nfs/dbraw/zinc/98/46/22/1117984622.db2.gz KKLSOFYAZZKSBP-GBAAUQCPSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136514 1117984623 /nfs/dbraw/zinc/98/46/23/1117984623.db2.gz KKLSOFYAZZKSBP-GBAAUQCPSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136514 1117984628 /nfs/dbraw/zinc/98/46/28/1117984628.db2.gz KKLSOFYAZZKSBP-GBAAUQCPSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463136514 1117984630 /nfs/dbraw/zinc/98/46/30/1117984630.db2.gz KKLSOFYAZZKSBP-GBAAUQCPSA-N 3 1 371.613 4.387 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147897 1117991922 /nfs/dbraw/zinc/99/19/22/1117991922.db2.gz REZNAWDKNMGREZ-AUSIDOKSSA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147897 1117991926 /nfs/dbraw/zinc/99/19/26/1117991926.db2.gz REZNAWDKNMGREZ-AUSIDOKSSA-N 2 1 352.522 4.366 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463155472 1117994567 /nfs/dbraw/zinc/99/45/67/1117994567.db2.gz IVVARILOIVDNTJ-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463155472 1117994569 /nfs/dbraw/zinc/99/45/69/1117994569.db2.gz IVVARILOIVDNTJ-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463188632 1118006167 /nfs/dbraw/zinc/00/61/67/1118006167.db2.gz DUEKASXZCKIKEF-QKNQBKEWSA-N 2 1 368.521 4.105 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463188632 1118006176 /nfs/dbraw/zinc/00/61/76/1118006176.db2.gz DUEKASXZCKIKEF-QKNQBKEWSA-N 2 1 368.521 4.105 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463192818 1118009734 /nfs/dbraw/zinc/00/97/34/1118009734.db2.gz QGTBRWSWIHBZDH-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463192818 1118009739 /nfs/dbraw/zinc/00/97/39/1118009739.db2.gz QGTBRWSWIHBZDH-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463204028 1118019346 /nfs/dbraw/zinc/01/93/46/1118019346.db2.gz IDCIGBCOQZDPIU-QKNQBKEWSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463204028 1118019356 /nfs/dbraw/zinc/01/93/56/1118019356.db2.gz IDCIGBCOQZDPIU-QKNQBKEWSA-N 2 1 368.521 4.105 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208940 1118022693 /nfs/dbraw/zinc/02/26/93/1118022693.db2.gz ZSWMGKOWXJBBCI-LZNRXBQRSA-N 2 1 350.506 4.325 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208940 1118022701 /nfs/dbraw/zinc/02/27/01/1118022701.db2.gz ZSWMGKOWXJBBCI-LZNRXBQRSA-N 2 1 350.506 4.325 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000540415742 1118043138 /nfs/dbraw/zinc/04/31/38/1118043138.db2.gz FTXQIYCYCKAFAK-BZNIZROVSA-N 2 1 366.328 4.027 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000463284509 1118070779 /nfs/dbraw/zinc/07/07/79/1118070779.db2.gz DQQIZGOVLZBOJA-XLIONFOSSA-N 2 1 355.551 4.336 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000463284509 1118070786 /nfs/dbraw/zinc/07/07/86/1118070786.db2.gz DQQIZGOVLZBOJA-XLIONFOSSA-N 2 1 355.551 4.336 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000463291126 1118086244 /nfs/dbraw/zinc/08/62/44/1118086244.db2.gz WAXNSURLYBTVQS-JVODISISSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1C(C)(C)C ZINC000540989824 1118340027 /nfs/dbraw/zinc/34/00/27/1118340027.db2.gz XEKBIARIFZMRBR-NQIIRXRSSA-N 2 1 366.549 4.402 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000540988116 1118340155 /nfs/dbraw/zinc/34/01/55/1118340155.db2.gz GKEMNGJJZGSXCX-DNQXCXABSA-N 2 1 364.533 4.274 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)c1 ZINC000541741258 1118628420 /nfs/dbraw/zinc/62/84/20/1118628420.db2.gz KYJKLQXQCYGGDA-HSZRJFAPSA-N 2 1 360.505 4.196 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)c1 ZINC000541741258 1118628423 /nfs/dbraw/zinc/62/84/23/1118628423.db2.gz KYJKLQXQCYGGDA-HSZRJFAPSA-N 2 1 360.505 4.196 20 0 FIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000541913873 1118699250 /nfs/dbraw/zinc/69/92/50/1118699250.db2.gz ATIINYFGIMHEOC-DNQXCXABSA-N 2 1 364.533 4.274 20 0 FIADMP CCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000541956662 1118721498 /nfs/dbraw/zinc/72/14/98/1118721498.db2.gz VDULJQLHIAPAAI-MRXNPFEDSA-N 2 1 362.477 4.032 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542320375 1118904354 /nfs/dbraw/zinc/90/43/54/1118904354.db2.gz QCTOEJDXQCLFSG-ZDUSSCGKSA-N 2 1 354.317 4.243 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542320375 1118904356 /nfs/dbraw/zinc/90/43/56/1118904356.db2.gz QCTOEJDXQCLFSG-ZDUSSCGKSA-N 2 1 354.317 4.243 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)cc1 ZINC000465351809 1118926074 /nfs/dbraw/zinc/92/60/74/1118926074.db2.gz AEXPAZKMGHSZCU-YADHBBJMSA-N 2 1 371.569 4.006 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000465351809 1118926075 /nfs/dbraw/zinc/92/60/75/1118926075.db2.gz AEXPAZKMGHSZCU-YADHBBJMSA-N 2 1 371.569 4.006 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000465351809 1118926077 /nfs/dbraw/zinc/92/60/77/1118926077.db2.gz AEXPAZKMGHSZCU-YADHBBJMSA-N 2 1 371.569 4.006 20 0 FIADMP FC1(F)CCCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000491600217 1118967428 /nfs/dbraw/zinc/96/74/28/1118967428.db2.gz ZWWGGLQRDIFIMG-LJQANCHMSA-N 2 1 350.497 4.499 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492044279 1119006993 /nfs/dbraw/zinc/00/69/93/1119006993.db2.gz KIOVEDSHXWDICX-HLAWJBBLSA-N 2 1 367.512 4.047 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000492044279 1119006998 /nfs/dbraw/zinc/00/69/98/1119006998.db2.gz KIOVEDSHXWDICX-HLAWJBBLSA-N 2 1 367.512 4.047 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(Br)c3)CC2)[nH+]c1 ZINC000173440582 1119040774 /nfs/dbraw/zinc/04/07/74/1119040774.db2.gz AHHCLPRXLGPMKU-OAHLLOKOSA-N 2 1 374.326 4.472 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195735 1119044138 /nfs/dbraw/zinc/04/41/38/1119044138.db2.gz XBTMHHZLEYEKBP-PKICCIJUSA-N 2 1 370.562 4.393 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195735 1119044141 /nfs/dbraw/zinc/04/41/41/1119044141.db2.gz XBTMHHZLEYEKBP-PKICCIJUSA-N 2 1 370.562 4.393 20 0 FIADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173867546 1119076607 /nfs/dbraw/zinc/07/66/07/1119076607.db2.gz ZKTZFIVUVOIKKK-OAHLLOKOSA-N 2 1 374.916 4.259 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493655 1119377117 /nfs/dbraw/zinc/37/71/17/1119377117.db2.gz KDEPGAVFBZOWDW-WMZHIEFXSA-N 2 1 350.506 4.184 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311491847 1119377165 /nfs/dbraw/zinc/37/71/65/1119377165.db2.gz CFPPSZIMPIFVME-XTQVGHSUSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178414334 1119388948 /nfs/dbraw/zinc/38/89/48/1119388948.db2.gz LQYOJUDXKHEQSE-LBPRGKRZSA-N 2 1 364.383 4.026 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311854341 1119392279 /nfs/dbraw/zinc/39/22/79/1119392279.db2.gz TVASLKLSYJPDBQ-UGKGYDQZSA-N 2 1 352.522 4.474 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311854341 1119392286 /nfs/dbraw/zinc/39/22/86/1119392286.db2.gz TVASLKLSYJPDBQ-UGKGYDQZSA-N 2 1 352.522 4.474 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311994847 1119396874 /nfs/dbraw/zinc/39/68/74/1119396874.db2.gz SSARSCPBBXKVOU-APWZRJJASA-N 2 1 360.448 4.288 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311994853 1119396993 /nfs/dbraw/zinc/39/69/93/1119396993.db2.gz SSARSCPBBXKVOU-QFBILLFUSA-N 2 1 360.448 4.288 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493884485 1119503098 /nfs/dbraw/zinc/50/30/98/1119503098.db2.gz YEJCEYWWTCUQKI-HLRQEUIKSA-N 2 1 354.538 4.108 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000493895566 1119507721 /nfs/dbraw/zinc/50/77/21/1119507721.db2.gz YHSOUJPOOXFFFS-YRLHULLVSA-N 2 1 358.551 4.497 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000493895566 1119507726 /nfs/dbraw/zinc/50/77/26/1119507726.db2.gz YHSOUJPOOXFFFS-YRLHULLVSA-N 2 1 358.551 4.497 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CC(OCc4ccccc4)C3)C2)c1 ZINC000493938614 1119512434 /nfs/dbraw/zinc/51/24/34/1119512434.db2.gz ZXACTGAFZDZMBB-QNGMFEMESA-N 2 1 370.562 4.298 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC(OCc4ccccc4)C3)C2)c1 ZINC000493938614 1119512439 /nfs/dbraw/zinc/51/24/39/1119512439.db2.gz ZXACTGAFZDZMBB-QNGMFEMESA-N 2 1 370.562 4.298 20 0 FIADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183183349 1119568384 /nfs/dbraw/zinc/56/83/84/1119568384.db2.gz OBDOUBSSFBSIHD-NLWGTHIKSA-N 2 1 360.542 4.015 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000187135795 1119768940 /nfs/dbraw/zinc/76/89/40/1119768940.db2.gz YXZXBMBQTLERHE-UHFFFAOYSA-N 2 1 353.510 4.110 20 0 FIADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)[C@H]2C ZINC000542485527 1119932962 /nfs/dbraw/zinc/93/29/62/1119932962.db2.gz POURVGZGJQXGKM-WBVHZDCISA-N 2 1 362.477 4.092 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190075 1119964285 /nfs/dbraw/zinc/96/42/85/1119964285.db2.gz XSPFLSJGHYMVPU-RXVVDRJESA-N 2 1 372.582 4.160 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190075 1119964287 /nfs/dbraw/zinc/96/42/87/1119964287.db2.gz XSPFLSJGHYMVPU-RXVVDRJESA-N 2 1 372.582 4.160 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132564 1120119273 /nfs/dbraw/zinc/11/92/73/1120119273.db2.gz JRXJOOUDBYLEMS-FXAWDEMLSA-N 2 1 354.542 4.119 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3sccc3Cl)CC2)C[C@H](C)O1 ZINC000494985581 1120411979 /nfs/dbraw/zinc/41/19/79/1120411979.db2.gz LGEZONBEELVOLY-GASCZTMLSA-N 2 1 356.963 4.113 20 0 FIADMP Clc1sc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000227907716 1120413786 /nfs/dbraw/zinc/41/37/86/1120413786.db2.gz MVKBIGPNZWLMLO-CYBMUJFWSA-N 2 1 363.752 4.128 20 0 FIADMP C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534259 1120435691 /nfs/dbraw/zinc/43/56/91/1120435691.db2.gz RNHNTTUBGLLMTL-DLBZAZTESA-N 2 1 350.934 4.352 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000495089046 1120468938 /nfs/dbraw/zinc/46/89/38/1120468938.db2.gz XBZOKMYZHXXRHF-JQVVWYNYSA-N 2 1 362.533 4.251 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495369276 1120752606 /nfs/dbraw/zinc/75/26/06/1120752606.db2.gz PQJGRPMITISMKM-ZIFCJYIRSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369276 1120752610 /nfs/dbraw/zinc/75/26/10/1120752610.db2.gz PQJGRPMITISMKM-ZIFCJYIRSA-N 2 1 356.485 4.396 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000495415653 1120792661 /nfs/dbraw/zinc/79/26/61/1120792661.db2.gz SCQIBWVTUMQCPE-NMNUPHIUSA-N 2 1 374.544 4.488 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1F ZINC000495548482 1120882323 /nfs/dbraw/zinc/88/23/23/1120882323.db2.gz QKTSKVNBZAVJOM-BBWFWOEESA-N 2 1 374.475 4.425 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(Br)ncc1F ZINC000762736728 1120957058 /nfs/dbraw/zinc/95/70/58/1120957058.db2.gz RRFLNDBMTBEWCX-KBPBESRZSA-N 2 1 372.326 4.288 20 0 FIADMP c1ccc(CCCOc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000236738807 1120969472 /nfs/dbraw/zinc/96/94/72/1120969472.db2.gz GZVFDGSOIVFTGP-JOCHJYFZSA-N 2 1 364.533 4.272 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000236823808 1120970460 /nfs/dbraw/zinc/97/04/60/1120970460.db2.gz VDKYHNWTRLLCTD-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000236823808 1120970461 /nfs/dbraw/zinc/97/04/61/1120970461.db2.gz VDKYHNWTRLLCTD-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP CCN(CC)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1Cl ZINC000236840198 1120970521 /nfs/dbraw/zinc/97/05/21/1120970521.db2.gz UPDXYVVQIKNCMF-FQEVSTJZSA-N 2 1 351.966 4.185 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2Cl)C[C@H](C)O1 ZINC000237623660 1120980433 /nfs/dbraw/zinc/98/04/33/1120980433.db2.gz UJULBFIMMGEXOV-CALCHBBNSA-N 2 1 358.913 4.239 20 0 FIADMP C[C@@H](Cc1cccc(F)c1)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001168498033 1121035154 /nfs/dbraw/zinc/03/51/54/1121035154.db2.gz DXKHAJCWYOFDHO-KRWDZBQOSA-N 2 1 358.476 4.492 20 0 FIADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(N(C)Cc2cccc(F)c2)CC1 ZINC001168498033 1121035164 /nfs/dbraw/zinc/03/51/64/1121035164.db2.gz DXKHAJCWYOFDHO-KRWDZBQOSA-N 2 1 358.476 4.492 20 0 FIADMP C[C@H](Cc1cccc(F)c1)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001168498035 1121035683 /nfs/dbraw/zinc/03/56/83/1121035683.db2.gz DXKHAJCWYOFDHO-QGZVFWFLSA-N 2 1 358.476 4.492 20 0 FIADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC(N(C)Cc2cccc(F)c2)CC1 ZINC001168498035 1121035692 /nfs/dbraw/zinc/03/56/92/1121035692.db2.gz DXKHAJCWYOFDHO-QGZVFWFLSA-N 2 1 358.476 4.492 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000123948666 1121649266 /nfs/dbraw/zinc/64/92/66/1121649266.db2.gz PVQNJSLXMBTFFJ-SFHVURJKSA-N 2 1 365.521 4.116 20 0 FIADMP CC(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccnn1C ZINC000671762008 1121794186 /nfs/dbraw/zinc/79/41/86/1121794186.db2.gz QSHWXAWDWMDGOS-HRTMPFAESA-N 2 1 368.569 4.193 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805926 1121842909 /nfs/dbraw/zinc/84/29/09/1121842909.db2.gz DOAJZNVWHSFBDK-FUHWJXTLSA-N 2 1 358.505 4.091 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805926 1121842923 /nfs/dbraw/zinc/84/29/23/1121842923.db2.gz DOAJZNVWHSFBDK-FUHWJXTLSA-N 2 1 358.505 4.091 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000125957045 1121884663 /nfs/dbraw/zinc/88/46/63/1121884663.db2.gz CIYGYAFTVCSEPY-UHFFFAOYSA-N 2 1 369.484 4.042 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000125955305 1121885651 /nfs/dbraw/zinc/88/56/51/1121885651.db2.gz YPCMHCYZHQJFGJ-GJZGRUSLSA-N 2 1 354.922 4.128 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000125955305 1121885663 /nfs/dbraw/zinc/88/56/63/1121885663.db2.gz YPCMHCYZHQJFGJ-GJZGRUSLSA-N 2 1 354.922 4.128 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000126120071 1121921125 /nfs/dbraw/zinc/92/11/25/1121921125.db2.gz XSFXLOZOKARNDL-UHFFFAOYSA-N 2 1 369.484 4.040 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3cc(F)ccc3F)cc2)C1 ZINC000917007715 1121999579 /nfs/dbraw/zinc/99/95/79/1121999579.db2.gz AUISTQCXZGVBRZ-AOMKIAJQSA-N 2 1 374.475 4.020 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000066594204 1122078330 /nfs/dbraw/zinc/07/83/30/1122078330.db2.gz CTJWJCCUUIJQNS-INIZCTEOSA-N 2 1 374.960 4.390 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000127364498 1122085037 /nfs/dbraw/zinc/08/50/37/1122085037.db2.gz POJMAWBXGWWZHD-QFIPXVFZSA-N 2 1 356.554 4.165 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168623444 1122179302 /nfs/dbraw/zinc/17/93/02/1122179302.db2.gz IUXGZRCWBYXNPQ-LPOZWGFCSA-N 2 1 372.553 4.430 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccccc3Br)CC2)[nH+]1 ZINC000128108971 1122191760 /nfs/dbraw/zinc/19/17/60/1122191760.db2.gz NHLOHUYIXNAXHY-OAHLLOKOSA-N 2 1 374.326 4.472 20 0 FIADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3cccc(C)[nH+]3)CC1)CCC2 ZINC000128157167 1122197976 /nfs/dbraw/zinc/19/79/76/1122197976.db2.gz LDSWCNDQWHLDLW-INIZCTEOSA-N 2 1 356.539 4.045 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)[nH+]1 ZINC000497403684 1122211730 /nfs/dbraw/zinc/21/17/30/1122211730.db2.gz KLVZNGCHDFBRAT-SIKLNZKXSA-N 2 1 365.521 4.116 20 0 FIADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000497525399 1122265422 /nfs/dbraw/zinc/26/54/22/1122265422.db2.gz RZAMYCRCXRCBJU-IBGZPJMESA-N 2 1 354.542 4.216 20 0 FIADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497853954 1122441253 /nfs/dbraw/zinc/44/12/53/1122441253.db2.gz RFXLCRIMOBHQTH-OAQYLSRUSA-N 2 1 357.542 4.137 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000130064024 1122738083 /nfs/dbraw/zinc/73/80/83/1122738083.db2.gz XFRXPBDQKQSURS-NRFANRHFSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000556228699 1122745510 /nfs/dbraw/zinc/74/55/10/1122745510.db2.gz DJEOUPBNTXESJZ-TZMCWYRMSA-N 2 1 373.766 4.452 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236158 1122751967 /nfs/dbraw/zinc/75/19/67/1122751967.db2.gz ONWQEHOPELPTHD-JOQOYGCGSA-N 2 1 366.431 4.162 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236158 1122751972 /nfs/dbraw/zinc/75/19/72/1122751972.db2.gz ONWQEHOPELPTHD-JOQOYGCGSA-N 2 1 366.431 4.162 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130563538 1122871834 /nfs/dbraw/zinc/87/18/34/1122871834.db2.gz XEFOIQBSRNPTFH-DLBZAZTESA-N 2 1 356.514 4.054 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130563538 1122871837 /nfs/dbraw/zinc/87/18/37/1122871837.db2.gz XEFOIQBSRNPTFH-DLBZAZTESA-N 2 1 356.514 4.054 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000499049141 1123160435 /nfs/dbraw/zinc/16/04/35/1123160435.db2.gz WSPHLDLLTFPHQT-UHFFFAOYSA-N 2 1 352.482 4.191 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000499049141 1123160441 /nfs/dbraw/zinc/16/04/41/1123160441.db2.gz WSPHLDLLTFPHQT-UHFFFAOYSA-N 2 1 352.482 4.191 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000556887498 1123164357 /nfs/dbraw/zinc/16/43/57/1123164357.db2.gz YKBVIFKIDPXNGC-QTJGBDASSA-N 2 1 363.549 4.295 20 0 FIADMP CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556891906 1123179490 /nfs/dbraw/zinc/17/94/90/1123179490.db2.gz HHVRNECLRFAXGC-RJGXRXQPSA-N 2 1 358.570 4.472 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000556909974 1123209658 /nfs/dbraw/zinc/20/96/58/1123209658.db2.gz QAUBRHSBUSBPMJ-QGZVFWFLSA-N 2 1 352.869 4.219 20 0 FIADMP Fc1ccc(OCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499143827 1123286481 /nfs/dbraw/zinc/28/64/81/1123286481.db2.gz BHSNAPQNHHQWTP-DKUWSORSSA-N 2 1 368.496 4.380 20 0 FIADMP CCC(CC)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000499146319 1123288237 /nfs/dbraw/zinc/28/82/37/1123288237.db2.gz KUOQYSVYUBGFKU-GPJHCHHRSA-N 2 1 357.586 4.138 20 0 FIADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499152534 1123294809 /nfs/dbraw/zinc/29/48/09/1123294809.db2.gz OWMDJYOIAWOYHL-ZDOXGEDHSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499152534 1123294812 /nfs/dbraw/zinc/29/48/12/1123294812.db2.gz OWMDJYOIAWOYHL-ZDOXGEDHSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152534 1123294813 /nfs/dbraw/zinc/29/48/13/1123294813.db2.gz OWMDJYOIAWOYHL-ZDOXGEDHSA-N 2 1 355.570 4.035 20 0 FIADMP CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499160981 1123300341 /nfs/dbraw/zinc/30/03/41/1123300341.db2.gz JZPZQVCDLWUCRD-DKUWSORSSA-N 2 1 350.506 4.371 20 0 FIADMP CCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499160982 1123300464 /nfs/dbraw/zinc/30/04/64/1123300464.db2.gz JZPZQVCDLWUCRD-KOUNCHBCSA-N 2 1 350.506 4.371 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000499221351 1123335273 /nfs/dbraw/zinc/33/52/73/1123335273.db2.gz YVPPHYQGSVHOBB-LILSUDLASA-N 2 1 354.538 4.119 20 0 FIADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(C)nn(C)c1C ZINC000499245968 1123363489 /nfs/dbraw/zinc/36/34/89/1123363489.db2.gz BQVRPDHXXTYRTJ-KJJMTIBFSA-N 2 1 366.553 4.273 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133402907 1123484271 /nfs/dbraw/zinc/48/42/71/1123484271.db2.gz DESMLMRUPYGOMJ-IMWIBFENSA-N 3 1 365.565 4.234 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133402907 1123484275 /nfs/dbraw/zinc/48/42/75/1123484275.db2.gz DESMLMRUPYGOMJ-IMWIBFENSA-N 2 1 365.565 4.234 20 0 FIADMP CCCCCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000236783544 1123564118 /nfs/dbraw/zinc/56/41/18/1123564118.db2.gz WZPZJHTZVLWOMG-IHWFROFDSA-N 2 1 360.542 4.369 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000237052160 1123592407 /nfs/dbraw/zinc/59/24/07/1123592407.db2.gz XZOCEAYNDRXMJZ-RTWAWAEBSA-N 2 1 366.553 4.188 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983802 1123826566 /nfs/dbraw/zinc/82/65/66/1123826566.db2.gz CZEBZGWTIBVGIZ-JXHRLWIKSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983802 1123826572 /nfs/dbraw/zinc/82/65/72/1123826572.db2.gz CZEBZGWTIBVGIZ-JXHRLWIKSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983803 1123827011 /nfs/dbraw/zinc/82/70/11/1123827011.db2.gz CZEBZGWTIBVGIZ-LEDOBFOHSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983803 1123827017 /nfs/dbraw/zinc/82/70/17/1123827017.db2.gz CZEBZGWTIBVGIZ-LEDOBFOHSA-N 2 1 360.505 4.358 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000136047994 1123827995 /nfs/dbraw/zinc/82/79/95/1123827995.db2.gz LJHFYGFFTPERNY-NSHDSACASA-N 2 1 356.695 4.033 20 0 FIADMP CC(C)N(C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000615316369 1123989253 /nfs/dbraw/zinc/98/92/53/1123989253.db2.gz RQGABZBZJNXPRF-VQTJNVASSA-N 2 1 373.585 4.185 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179501674 1123990262 /nfs/dbraw/zinc/99/02/62/1123990262.db2.gz ZMDIMWVCJFAEMT-ZUOKHONESA-N 2 1 373.859 4.357 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(CO)c1 ZINC000245549865 1124118080 /nfs/dbraw/zinc/11/80/80/1124118080.db2.gz GYZATURYCFVEKU-RBUKOAKNSA-N 2 1 352.522 4.262 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677431 1124187357 /nfs/dbraw/zinc/18/73/57/1124187357.db2.gz IGNLUJIJNRJWKI-SNJCGAMXSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677431 1124187359 /nfs/dbraw/zinc/18/73/59/1124187359.db2.gz IGNLUJIJNRJWKI-SNJCGAMXSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677431 1124187363 /nfs/dbraw/zinc/18/73/63/1124187363.db2.gz IGNLUJIJNRJWKI-SNJCGAMXSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000245738047 1124231472 /nfs/dbraw/zinc/23/14/72/1124231472.db2.gz RCPYBGDKNOFTEY-BYGOBXPBSA-N 2 1 362.517 4.336 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245750744 1124239425 /nfs/dbraw/zinc/23/94/25/1124239425.db2.gz TZHHCWDQVWYPKN-BUZMGHMJSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245750744 1124239431 /nfs/dbraw/zinc/23/94/31/1124239431.db2.gz TZHHCWDQVWYPKN-BUZMGHMJSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245750744 1124239433 /nfs/dbraw/zinc/23/94/33/1124239433.db2.gz TZHHCWDQVWYPKN-BUZMGHMJSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750744 1124239440 /nfs/dbraw/zinc/23/94/40/1124239440.db2.gz TZHHCWDQVWYPKN-BUZMGHMJSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750744 1124239446 /nfs/dbraw/zinc/23/94/46/1124239446.db2.gz TZHHCWDQVWYPKN-BUZMGHMJSA-N 2 1 369.597 4.284 20 0 FIADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750867 1124239488 /nfs/dbraw/zinc/23/94/88/1124239488.db2.gz UBMYHFBZHNPFMH-KAOXLYBCSA-N 2 1 350.506 4.159 20 0 FIADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750867 1124239498 /nfs/dbraw/zinc/23/94/98/1124239498.db2.gz UBMYHFBZHNPFMH-KAOXLYBCSA-N 2 1 350.506 4.159 20 0 FIADMP CCCn1nc(C)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764053 1124244152 /nfs/dbraw/zinc/24/41/52/1124244152.db2.gz QHPBZPLPDLXQFF-PGRDOPGGSA-N 2 1 368.569 4.395 20 0 FIADMP CCCn1nc(C)c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764053 1124244157 /nfs/dbraw/zinc/24/41/57/1124244157.db2.gz QHPBZPLPDLXQFF-PGRDOPGGSA-N 2 1 368.569 4.395 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245787513 1124249201 /nfs/dbraw/zinc/24/92/01/1124249201.db2.gz ZTFCWXHYBCZSPS-XBYSBRQOSA-N 3 1 357.586 4.282 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245787513 1124249209 /nfs/dbraw/zinc/24/92/09/1124249209.db2.gz ZTFCWXHYBCZSPS-XBYSBRQOSA-N 2 1 357.586 4.282 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000518575424 1124370656 /nfs/dbraw/zinc/37/06/56/1124370656.db2.gz WCZLWLYQOHCVPH-DHIUTWEWSA-N 2 1 352.522 4.061 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000518575424 1124370662 /nfs/dbraw/zinc/37/06/62/1124370662.db2.gz WCZLWLYQOHCVPH-DHIUTWEWSA-N 2 1 352.522 4.061 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000542841637 1124435531 /nfs/dbraw/zinc/43/55/31/1124435531.db2.gz MDRZBOBGOLEZQJ-DUXKGJEZSA-N 2 1 354.542 4.150 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000542841637 1124435534 /nfs/dbraw/zinc/43/55/34/1124435534.db2.gz MDRZBOBGOLEZQJ-DUXKGJEZSA-N 2 1 354.542 4.150 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000542840222 1124435754 /nfs/dbraw/zinc/43/57/54/1124435754.db2.gz SOKZINXZRHTIGP-QFIPXVFZSA-N 2 1 352.522 4.082 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000542840222 1124435781 /nfs/dbraw/zinc/43/57/81/1124435781.db2.gz SOKZINXZRHTIGP-QFIPXVFZSA-N 2 1 352.522 4.082 20 0 FIADMP c1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563746 1124534060 /nfs/dbraw/zinc/53/40/60/1124534060.db2.gz LAXNWMHQZQUJOA-PKOBYXMFSA-N 2 1 353.535 4.259 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(Cl)c1 ZINC000246916532 1124572904 /nfs/dbraw/zinc/57/29/04/1124572904.db2.gz GMZMQQUWBHFYQX-IAGOWNOFSA-N 2 1 358.913 4.412 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(Cl)c1 ZINC000246916532 1124572909 /nfs/dbraw/zinc/57/29/09/1124572909.db2.gz GMZMQQUWBHFYQX-IAGOWNOFSA-N 2 1 358.913 4.412 20 0 FIADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000246950694 1124576045 /nfs/dbraw/zinc/57/60/45/1124576045.db2.gz IBRCMLDKZVQWKM-RBUKOAKNSA-N 2 1 368.521 4.075 20 0 FIADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000246950694 1124576052 /nfs/dbraw/zinc/57/60/52/1124576052.db2.gz IBRCMLDKZVQWKM-RBUKOAKNSA-N 2 1 368.521 4.075 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000246979028 1124577779 /nfs/dbraw/zinc/57/77/79/1124577779.db2.gz JXXDUMYNKKYPDB-HUUCEWRRSA-N 2 1 356.457 4.068 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000246976566 1124578731 /nfs/dbraw/zinc/57/87/31/1124578731.db2.gz JWANQCBYVJEQTM-SNRMKQJTSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000246976566 1124578733 /nfs/dbraw/zinc/57/87/33/1124578733.db2.gz JWANQCBYVJEQTM-SNRMKQJTSA-N 2 1 366.546 4.089 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc(F)cc(F)c1 ZINC000247090926 1124590357 /nfs/dbraw/zinc/59/03/57/1124590357.db2.gz PJUDUEMESNDZSF-JKSUJKDBSA-N 2 1 360.448 4.036 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc(F)cc(F)c1 ZINC000247090926 1124590365 /nfs/dbraw/zinc/59/03/65/1124590365.db2.gz PJUDUEMESNDZSF-JKSUJKDBSA-N 2 1 360.448 4.036 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(OC)cc1 ZINC000247127535 1124592242 /nfs/dbraw/zinc/59/22/42/1124592242.db2.gz RNFGIGRISJYMHY-MBSDFSHPSA-N 2 1 368.521 4.157 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(OC)cc1 ZINC000247127535 1124592247 /nfs/dbraw/zinc/59/22/47/1124592247.db2.gz RNFGIGRISJYMHY-MBSDFSHPSA-N 2 1 368.521 4.157 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(SC)c(F)c2)[C@@H](C)C1 ZINC000247969030 1124734537 /nfs/dbraw/zinc/73/45/37/1124734537.db2.gz HBUJSOUOFGADAX-FCEWJHQRSA-N 2 1 368.562 4.335 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000248014072 1124738307 /nfs/dbraw/zinc/73/83/07/1124738307.db2.gz SCZOAGCHQQXZIO-HXUWFJFHSA-N 2 1 373.585 4.301 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000248014072 1124738311 /nfs/dbraw/zinc/73/83/11/1124738311.db2.gz SCZOAGCHQQXZIO-HXUWFJFHSA-N 2 1 373.585 4.301 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000248014072 1124738317 /nfs/dbraw/zinc/73/83/17/1124738317.db2.gz SCZOAGCHQQXZIO-HXUWFJFHSA-N 2 1 373.585 4.301 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1 ZINC000248434732 1124768003 /nfs/dbraw/zinc/76/80/03/1124768003.db2.gz DZJLDZQZRWAAAJ-XZOQPEGZSA-N 2 1 352.522 4.193 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1Cl ZINC000248443514 1124769675 /nfs/dbraw/zinc/76/96/75/1124769675.db2.gz LLDYYKSQSGDVTQ-APWZRJJASA-N 2 1 358.913 4.148 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1csc(Cl)c1 ZINC000248694605 1124801786 /nfs/dbraw/zinc/80/17/86/1124801786.db2.gz KMYJSBDABYLXBM-LSDHHAIUSA-N 2 1 364.942 4.473 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1csc(Cl)c1 ZINC000248694605 1124801797 /nfs/dbraw/zinc/80/17/97/1124801797.db2.gz KMYJSBDABYLXBM-LSDHHAIUSA-N 2 1 364.942 4.473 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000521917912 1124827787 /nfs/dbraw/zinc/82/77/87/1124827787.db2.gz LKBQGEKZKMENIQ-WDTLCOQZSA-N 3 1 369.597 4.455 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000521917912 1124827797 /nfs/dbraw/zinc/82/77/97/1124827797.db2.gz LKBQGEKZKMENIQ-WDTLCOQZSA-N 3 1 369.597 4.455 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000515880455 1124828972 /nfs/dbraw/zinc/82/89/72/1124828972.db2.gz QZFRCNDZCYUNPK-SBOSXTITSA-N 2 1 350.506 4.159 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000515880455 1124828991 /nfs/dbraw/zinc/82/89/91/1124828991.db2.gz QZFRCNDZCYUNPK-SBOSXTITSA-N 2 1 350.506 4.159 20 0 FIADMP CC(C)c1nc([C@@H](C)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cs1 ZINC000249033970 1124836726 /nfs/dbraw/zinc/83/67/26/1124836726.db2.gz SZLLWKLNWFMRTQ-IAGOWNOFSA-N 2 1 373.566 4.338 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3occc32)C[C@H](C)O1 ZINC000249056664 1124839830 /nfs/dbraw/zinc/83/98/30/1124839830.db2.gz YTGGMVWXUQBVIS-FVJLSDCUSA-N 2 1 354.494 4.056 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000249087081 1124843053 /nfs/dbraw/zinc/84/30/53/1124843053.db2.gz JHHSCCURISSMBP-BKULYWANSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000249087081 1124843058 /nfs/dbraw/zinc/84/30/58/1124843058.db2.gz JHHSCCURISSMBP-BKULYWANSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000249087081 1124843062 /nfs/dbraw/zinc/84/30/62/1124843062.db2.gz JHHSCCURISSMBP-BKULYWANSA-N 3 1 369.597 4.141 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C2CCC2)cc1 ZINC000249875581 1124883795 /nfs/dbraw/zinc/88/37/95/1124883795.db2.gz GVKGZISPZPPPQK-DNQXCXABSA-N 2 1 364.533 4.193 20 0 FIADMP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089594364 1124916463 /nfs/dbraw/zinc/91/64/63/1124916463.db2.gz HGOIUNJCQHIJJD-YADHBBJMSA-N 2 1 356.554 4.023 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522827 1125000475 /nfs/dbraw/zinc/00/04/75/1125000475.db2.gz CTIHQGANNQOVFK-DBVUQKKJSA-N 2 1 362.583 4.217 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090524220 1125000673 /nfs/dbraw/zinc/00/06/73/1125000673.db2.gz JXFBYJMUEAABCV-VDGAXYAQSA-N 2 1 356.510 4.160 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)oc2cc1C ZINC000090524830 1125001115 /nfs/dbraw/zinc/00/11/15/1125001115.db2.gz SOADPUBJPVQBDF-WMQCIHAUSA-N 2 1 370.537 4.468 20 0 FIADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000310897687 1125078859 /nfs/dbraw/zinc/07/88/59/1125078859.db2.gz MDKUPGTUWCQAHO-LJQANCHMSA-N 2 1 358.913 4.350 20 0 FIADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821146 1125244684 /nfs/dbraw/zinc/24/46/84/1125244684.db2.gz OVXLFALABMEYCX-MRXNPFEDSA-N 2 1 371.529 4.062 20 0 FIADMP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821146 1125244692 /nfs/dbraw/zinc/24/46/92/1125244692.db2.gz OVXLFALABMEYCX-MRXNPFEDSA-N 2 1 371.529 4.062 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccnc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522756809 568050063 /nfs/dbraw/zinc/05/00/63/568050063.db2.gz IEYLGQUFUMRHEN-IEBWSBKVSA-N 2 1 363.427 4.273 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccnc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522756809 568050064 /nfs/dbraw/zinc/05/00/64/568050064.db2.gz IEYLGQUFUMRHEN-IEBWSBKVSA-N 2 1 363.427 4.273 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1Br ZINC000262356726 1125721116 /nfs/dbraw/zinc/72/11/16/1125721116.db2.gz VWGBZRBBQDORFU-MZPVMMEZSA-N 2 1 361.283 4.253 20 0 FIADMP CCc1cnc(C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)s1 ZINC000183046756 1125733240 /nfs/dbraw/zinc/73/32/40/1125733240.db2.gz LRPHEUFVERPXBI-HNNXBMFYSA-N 2 1 361.555 4.407 20 0 FIADMP Cc1ccc2cc[nH+]c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)c2c1 ZINC000579707662 1079563200 /nfs/dbraw/zinc/56/32/00/1079563200.db2.gz PHPNFHQTBFHGCL-UHFFFAOYSA-N 2 1 361.489 4.112 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407533 1125789385 /nfs/dbraw/zinc/78/93/85/1125789385.db2.gz GASYZKZHMGLLHU-HZPDHXFCSA-N 2 1 362.514 4.459 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407533 1125789390 /nfs/dbraw/zinc/78/93/90/1125789390.db2.gz GASYZKZHMGLLHU-HZPDHXFCSA-N 2 1 362.514 4.459 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001167077675 1080063039 /nfs/dbraw/zinc/06/30/39/1080063039.db2.gz MCFIXPNTHMYUOP-IBGZPJMESA-N 2 1 373.368 4.471 20 0 FIADMP C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155001673 1080552316 /nfs/dbraw/zinc/55/23/16/1080552316.db2.gz DNQQCEKCBDVLAW-HNNXBMFYSA-N 2 1 371.506 4.194 20 0 FIADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cncs4)CC3)C2)cc1 ZINC001209546626 1080759714 /nfs/dbraw/zinc/75/97/14/1080759714.db2.gz LIOLFXLMYCIPOX-UHFFFAOYSA-N 2 1 355.551 4.330 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000247070684 1080762032 /nfs/dbraw/zinc/76/20/32/1080762032.db2.gz OGWZSXYFKSUPNQ-CEXWTWQISA-N 2 1 373.541 4.052 20 0 FIADMP CNc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001648808043 1081107986 /nfs/dbraw/zinc/10/79/86/1081107986.db2.gz APZRSRMUNMYLAX-KDURUIRLSA-N 2 1 351.538 4.496 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(F)c2N)C1 ZINC001648808571 1081113239 /nfs/dbraw/zinc/11/32/39/1081113239.db2.gz UWQDGHVJKAMTSG-CALCHBBNSA-N 2 1 355.501 4.176 20 0 FIADMP Cc1ccc([C@@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703821 1081125131 /nfs/dbraw/zinc/12/51/31/1081125131.db2.gz LURRSRRLPPAJLY-VWNXMTODSA-N 2 1 364.533 4.236 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655704310 1081125357 /nfs/dbraw/zinc/12/53/57/1081125357.db2.gz AICDSLSVWJBDEP-KBXCAEBGSA-N 2 1 371.352 4.157 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC001648811399 1081126816 /nfs/dbraw/zinc/12/68/16/1081126816.db2.gz MEEJUZDLTZKMIQ-KDURUIRLSA-N 2 1 360.542 4.086 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000655728070 1081145781 /nfs/dbraw/zinc/14/57/81/1081145781.db2.gz ULRATENSEZUISK-OAHLLOKOSA-N 2 1 371.352 4.114 20 0 FIADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655731760 1081150438 /nfs/dbraw/zinc/15/04/38/1081150438.db2.gz ZBSCOHXNWOBJJA-PSOYPTMXSA-N 2 1 362.945 4.270 20 0 FIADMP C[N@@H+](Cc1ccccc1NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655746810 1081166845 /nfs/dbraw/zinc/16/68/45/1081166845.db2.gz GVFPQMVULDSKJL-QFIPXVFZSA-N 2 1 371.569 4.116 20 0 FIADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000579952825 1081243801 /nfs/dbraw/zinc/24/38/01/1081243801.db2.gz QXRHEGYUMAYUKX-SFHVURJKSA-N 2 1 374.912 4.098 20 0 FIADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000579952825 1081243807 /nfs/dbraw/zinc/24/38/07/1081243807.db2.gz QXRHEGYUMAYUKX-SFHVURJKSA-N 2 1 374.912 4.098 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000655850003 1081259519 /nfs/dbraw/zinc/25/95/19/1081259519.db2.gz AYPLYTVRUJWKQM-LSTHTHJFSA-N 2 1 358.526 4.152 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2Oc2ccc(C)cc2OC)C1 ZINC001648828594 1081265843 /nfs/dbraw/zinc/26/58/43/1081265843.db2.gz KLWOYPVKMRSUBG-GOSISDBHSA-N 2 1 354.494 4.227 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2Oc2ccc(C)cc2OC)C1 ZINC001648828594 1081265846 /nfs/dbraw/zinc/26/58/46/1081265846.db2.gz KLWOYPVKMRSUBG-GOSISDBHSA-N 2 1 354.494 4.227 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC4(CCCC4)O2)C3)cc1 ZINC000655853723 1081266077 /nfs/dbraw/zinc/26/60/77/1081266077.db2.gz YBNKJZLNIKMXEM-CIAFKFPVSA-N 2 1 354.538 4.263 20 0 FIADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc2ccccc21)C1CCCC1 ZINC001167318437 1081357596 /nfs/dbraw/zinc/35/75/96/1081357596.db2.gz MCAPXTAXJRFMME-JOCHJYFZSA-N 2 1 354.538 4.286 20 0 FIADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001167318437 1081357604 /nfs/dbraw/zinc/35/76/04/1081357604.db2.gz MCAPXTAXJRFMME-JOCHJYFZSA-N 2 1 354.538 4.286 20 0 FIADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc2ccccc21)C1CCCC1 ZINC001167318438 1081358355 /nfs/dbraw/zinc/35/83/55/1081358355.db2.gz MCAPXTAXJRFMME-QFIPXVFZSA-N 2 1 354.538 4.286 20 0 FIADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001167318438 1081358363 /nfs/dbraw/zinc/35/83/63/1081358363.db2.gz MCAPXTAXJRFMME-QFIPXVFZSA-N 2 1 354.538 4.286 20 0 FIADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000579982263 1081361212 /nfs/dbraw/zinc/36/12/12/1081361212.db2.gz VFYKTFRDTNDJFM-SJLPKXTDSA-N 2 1 368.949 4.015 20 0 FIADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000579986270 1081371556 /nfs/dbraw/zinc/37/15/56/1081371556.db2.gz XNFHXIZNXJDNHG-VSYWRSJOSA-N 2 1 365.565 4.411 20 0 FIADMP C[N@@H+]1CC[C@H](NCc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174939 1081732874 /nfs/dbraw/zinc/73/28/74/1081732874.db2.gz WYSXDTOWVFCAGJ-RDJZCZTQSA-N 2 1 365.340 4.436 20 0 FIADMP C[N@H+]1CC[C@H](NCc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174939 1081732878 /nfs/dbraw/zinc/73/28/78/1081732878.db2.gz WYSXDTOWVFCAGJ-RDJZCZTQSA-N 2 1 365.340 4.436 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398024981 1081914646 /nfs/dbraw/zinc/91/46/46/1081914646.db2.gz BWQMAKLQTYBNBI-DXIQSLLYSA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398024981 1081914648 /nfs/dbraw/zinc/91/46/48/1081914648.db2.gz BWQMAKLQTYBNBI-DXIQSLLYSA-N 2 1 352.522 4.126 20 0 FIADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483653 1081970906 /nfs/dbraw/zinc/97/09/06/1081970906.db2.gz OPBCYJSMHOUWQX-PZJWPPBQSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483653 1081970909 /nfs/dbraw/zinc/97/09/09/1081970909.db2.gz OPBCYJSMHOUWQX-PZJWPPBQSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483653 1081970911 /nfs/dbraw/zinc/97/09/11/1081970911.db2.gz OPBCYJSMHOUWQX-PZJWPPBQSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1ccc2ncc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2c1 ZINC000580588420 1082031828 /nfs/dbraw/zinc/03/18/28/1082031828.db2.gz PKTXAJWJEKHAJO-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)c1 ZINC000126839940 1082179673 /nfs/dbraw/zinc/17/96/73/1082179673.db2.gz DYFYRVIDJRUNTL-IBGZPJMESA-N 2 1 369.578 4.219 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)c1 ZINC000126839940 1082179676 /nfs/dbraw/zinc/17/96/76/1082179676.db2.gz DYFYRVIDJRUNTL-IBGZPJMESA-N 2 1 369.578 4.219 20 0 FIADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(n2)CCC4)CC3)cc1 ZINC000656449880 1082410636 /nfs/dbraw/zinc/41/06/36/1082410636.db2.gz SYJSYUIVCOWKEU-UHFFFAOYSA-N 2 1 361.533 4.058 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+]1CCCCCC1 ZINC000510389114 1082470744 /nfs/dbraw/zinc/47/07/44/1082470744.db2.gz NUKMAMBTSNPFIZ-RBUKOAKNSA-N 2 1 357.542 4.122 20 0 FIADMP CCCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581384496 1082507257 /nfs/dbraw/zinc/50/72/57/1082507257.db2.gz YQJXNHNRMSTLIS-YADHBBJMSA-N 2 1 358.570 4.474 20 0 FIADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000430602580 1082572119 /nfs/dbraw/zinc/57/21/19/1082572119.db2.gz WLSQMHQMFAXAAO-UTKZUKDTSA-N 2 1 353.510 4.305 20 0 FIADMP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000090176701 1082675054 /nfs/dbraw/zinc/67/50/54/1082675054.db2.gz MTRSMNZIUXIKHI-QVKFZJNVSA-N 2 1 353.441 4.358 20 0 FIADMP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157269951 1082688111 /nfs/dbraw/zinc/68/81/11/1082688111.db2.gz NWSALEMNNQVPAH-KRWDZBQOSA-N 2 1 356.432 4.078 20 0 FIADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157269951 1082688115 /nfs/dbraw/zinc/68/81/15/1082688115.db2.gz NWSALEMNNQVPAH-KRWDZBQOSA-N 2 1 356.432 4.078 20 0 FIADMP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157389704 1082768631 /nfs/dbraw/zinc/76/86/31/1082768631.db2.gz LPLSUMKAJDXVIU-QGZVFWFLSA-N 2 1 356.432 4.078 20 0 FIADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157389704 1082768634 /nfs/dbraw/zinc/76/86/34/1082768634.db2.gz LPLSUMKAJDXVIU-QGZVFWFLSA-N 2 1 356.432 4.078 20 0 FIADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000656787823 1082772290 /nfs/dbraw/zinc/77/22/90/1082772290.db2.gz WVODTTOOZMSHHO-QFUCXCTJSA-N 2 1 369.940 4.249 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000581681773 1082796659 /nfs/dbraw/zinc/79/66/59/1082796659.db2.gz HTVVTVBJLZIPHV-QZTJIDSGSA-N 2 1 370.459 4.042 20 0 FIADMP Cc1[nH+]ccn1CCCS[C@H](C)[C@@H](C)SCCCn1cc[nH+]c1C ZINC000276536263 1082860469 /nfs/dbraw/zinc/86/04/69/1082860469.db2.gz GSQGUEIZZLZRRH-HZPDHXFCSA-N 2 1 366.600 4.420 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755902 1082872704 /nfs/dbraw/zinc/87/27/04/1082872704.db2.gz KRLPLTAAIWRVSC-ZWCUEREDSA-N 2 1 370.562 4.179 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755902 1082872709 /nfs/dbraw/zinc/87/27/09/1082872709.db2.gz KRLPLTAAIWRVSC-ZWCUEREDSA-N 2 1 370.562 4.179 20 0 FIADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000471763227 1082961356 /nfs/dbraw/zinc/96/13/56/1082961356.db2.gz YHBRMISRMFDVRC-GFCCVEGCSA-N 2 1 360.914 4.399 20 0 FIADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(OCCC)c1 ZINC000510533171 1083143630 /nfs/dbraw/zinc/14/36/30/1083143630.db2.gz JIVAMAGUHCIUKV-GOSISDBHSA-N 2 1 357.498 4.367 20 0 FIADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430926428 1083235868 /nfs/dbraw/zinc/23/58/68/1083235868.db2.gz GCZVYLHJPAWDPM-QHCPKHFHSA-N 2 1 357.586 4.266 20 0 FIADMP CC[C@@H](c1ccccc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430926428 1083235869 /nfs/dbraw/zinc/23/58/69/1083235869.db2.gz GCZVYLHJPAWDPM-QHCPKHFHSA-N 3 1 357.586 4.266 20 0 FIADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430926428 1083235870 /nfs/dbraw/zinc/23/58/70/1083235870.db2.gz GCZVYLHJPAWDPM-QHCPKHFHSA-N 3 1 357.586 4.266 20 0 FIADMP Cc1cccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cccc(F)c2)c1 ZINC000510716030 1083259178 /nfs/dbraw/zinc/25/91/78/1083259178.db2.gz OFPIXZMNUYPZSK-XZOQPEGZSA-N 2 1 370.512 4.050 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(OC)c(OCC)c2)CC1 ZINC000092165292 1083358325 /nfs/dbraw/zinc/35/83/25/1083358325.db2.gz ANXABXOYQROHMU-UHFFFAOYSA-N 2 1 354.922 4.054 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(OC)c(OCC)c2)CC1 ZINC000092165292 1083358331 /nfs/dbraw/zinc/35/83/31/1083358331.db2.gz ANXABXOYQROHMU-UHFFFAOYSA-N 2 1 354.922 4.054 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658319913 1083407042 /nfs/dbraw/zinc/40/70/42/1083407042.db2.gz JSEDNDRBDVPYFL-VXKWHMMOSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)c1nccn1C ZINC000658336115 1083412408 /nfs/dbraw/zinc/41/24/08/1083412408.db2.gz NQPBFHUVHRZNFK-NQIIRXRSSA-N 2 1 372.532 4.463 20 0 FIADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000093061923 1083437092 /nfs/dbraw/zinc/43/70/92/1083437092.db2.gz SMJBVPOCNMTSND-UHFFFAOYSA-N 2 1 355.551 4.154 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000092565106 1083440382 /nfs/dbraw/zinc/44/03/82/1083440382.db2.gz QPCJLSABDMBQQX-UHFFFAOYSA-N 2 1 360.542 4.128 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548488143 1083491342 /nfs/dbraw/zinc/49/13/42/1083491342.db2.gz AMTARPWGBCWAEL-WMZHIEFXSA-N 2 1 352.522 4.128 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548488143 1083491351 /nfs/dbraw/zinc/49/13/51/1083491351.db2.gz AMTARPWGBCWAEL-WMZHIEFXSA-N 2 1 352.522 4.128 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000535668947 1083566626 /nfs/dbraw/zinc/56/66/26/1083566626.db2.gz UIWGOZLTWRIHMJ-UHFFFAOYSA-N 2 1 351.416 4.480 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000277106184 1083741726 /nfs/dbraw/zinc/74/17/26/1083741726.db2.gz PCZZAESJQSGUIP-UHFFFAOYSA-N 2 1 374.554 4.131 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000277106184 1083741734 /nfs/dbraw/zinc/74/17/34/1083741734.db2.gz PCZZAESJQSGUIP-UHFFFAOYSA-N 2 1 374.554 4.131 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000525708988 1083750898 /nfs/dbraw/zinc/75/08/98/1083750898.db2.gz APKHJHHBYBCRQT-LPHOPBHVSA-N 2 1 364.493 4.013 20 0 FIADMP Clc1cccc(Cl)c1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684614518 1083783561 /nfs/dbraw/zinc/78/35/61/1083783561.db2.gz YJNBMMDJMGRGHP-MRXNPFEDSA-N 2 1 371.352 4.159 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000535839054 1083796649 /nfs/dbraw/zinc/79/66/49/1083796649.db2.gz LBXGCRNDPFFVNN-GGAORHGYSA-N 2 1 352.522 4.396 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000065976544 1083904478 /nfs/dbraw/zinc/90/44/78/1083904478.db2.gz SKGKUQDJGOCUIR-UHFFFAOYSA-N 2 1 366.484 4.346 20 0 FIADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000510995840 1084028469 /nfs/dbraw/zinc/02/84/69/1084028469.db2.gz RLIRPHFJDJCZPH-JOCHJYFZSA-N 2 1 367.468 4.303 20 0 FIADMP Brc1ccccc1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380918081 1084292736 /nfs/dbraw/zinc/29/27/36/1084292736.db2.gz VFXUYZIIHFGPIV-GOSISDBHSA-N 2 1 373.338 4.451 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000685837926 1084306487 /nfs/dbraw/zinc/30/64/87/1084306487.db2.gz FGUXDVJAZMKGEE-WBILKINKSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000685837926 1084306494 /nfs/dbraw/zinc/30/64/94/1084306494.db2.gz FGUXDVJAZMKGEE-WBILKINKSA-N 2 1 350.453 4.109 20 0 FIADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537969586 1084319782 /nfs/dbraw/zinc/31/97/82/1084319782.db2.gz GYNFNZWWFGOFQR-HRCADAONSA-N 2 1 358.979 4.202 20 0 FIADMP CC1CC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431730527 1084322733 /nfs/dbraw/zinc/32/27/33/1084322733.db2.gz VQUJZRQDXJTLJA-OAQYLSRUSA-N 2 1 357.542 4.122 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1NC(C)=O ZINC000157544751 1084399601 /nfs/dbraw/zinc/39/96/01/1084399601.db2.gz AVMZZFKDOJKPHW-MRXNPFEDSA-N 2 1 373.541 4.101 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414066601 1084412826 /nfs/dbraw/zinc/41/28/26/1084412826.db2.gz IHGIZHURMILQJZ-GUDVDZBRSA-N 2 1 366.553 4.158 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1)C1CCCCC1 ZINC000657323431 1084568482 /nfs/dbraw/zinc/56/84/82/1084568482.db2.gz BCTSELOBPIRKDT-UHFFFAOYSA-N 2 1 366.553 4.347 20 0 FIADMP C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156913 1084714579 /nfs/dbraw/zinc/71/45/79/1084714579.db2.gz VOKDCMKQYFTFFG-VLCCKYJDSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccn(C)n1 ZINC000414156913 1084714581 /nfs/dbraw/zinc/71/45/81/1084714581.db2.gz VOKDCMKQYFTFFG-VLCCKYJDSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156913 1084714586 /nfs/dbraw/zinc/71/45/86/1084714586.db2.gz VOKDCMKQYFTFFG-VLCCKYJDSA-N 2 1 372.944 4.338 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000548712099 1084792556 /nfs/dbraw/zinc/79/25/56/1084792556.db2.gz SJZUKOCZNGLQHV-KSEOMHKRSA-N 2 1 369.578 4.274 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1cccc(Cl)c1 ZINC000414202364 1084799248 /nfs/dbraw/zinc/79/92/48/1084799248.db2.gz ZCDNGXYTROYBRL-WBVHZDCISA-N 2 1 360.933 4.217 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318339 1084928332 /nfs/dbraw/zinc/92/83/32/1084928332.db2.gz FURRLHNUUQGLKB-QTGUNEKASA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318339 1084928334 /nfs/dbraw/zinc/92/83/34/1084928334.db2.gz FURRLHNUUQGLKB-QTGUNEKASA-N 2 1 360.505 4.358 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c(C3CCC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415906 1084952896 /nfs/dbraw/zinc/95/28/96/1084952896.db2.gz OVQYVYXLJVCZOL-QUCCMNQESA-N 2 1 366.553 4.078 20 0 FIADMP COCc1csc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000657415574 1084957971 /nfs/dbraw/zinc/95/79/71/1084957971.db2.gz LAFINQVDDKSEHK-MJGOQNOKSA-N 2 1 358.551 4.285 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCc3c[nH+]cn3C)s2)cc1 ZINC000563352212 1084984001 /nfs/dbraw/zinc/98/40/01/1084984001.db2.gz BBCYCRLVNDOYOH-AWEZNQCLSA-N 2 1 370.522 4.144 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167572900 1084985392 /nfs/dbraw/zinc/98/53/92/1084985392.db2.gz RBXYNYQPXKJPCL-ZJSXRUAMSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167572900 1084985395 /nfs/dbraw/zinc/98/53/95/1084985395.db2.gz RBXYNYQPXKJPCL-ZJSXRUAMSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572900 1084985396 /nfs/dbraw/zinc/98/53/96/1084985396.db2.gz RBXYNYQPXKJPCL-ZJSXRUAMSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572900 1084985399 /nfs/dbraw/zinc/98/53/99/1084985399.db2.gz RBXYNYQPXKJPCL-ZJSXRUAMSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582438744 1084999426 /nfs/dbraw/zinc/99/94/26/1084999426.db2.gz BBPHOFHFLGNGJW-LGVFNWMJSA-N 2 1 366.549 4.482 20 0 FIADMP COCC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486969 1085063616 /nfs/dbraw/zinc/06/36/16/1085063616.db2.gz UOVFVNVFTKNFAY-WOJBJXKFSA-N 2 1 354.494 4.144 20 0 FIADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653651 1085202595 /nfs/dbraw/zinc/20/25/95/1085202595.db2.gz UCFFJHWSTKETGI-XMMPIXPASA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653651 1085202612 /nfs/dbraw/zinc/20/26/12/1085202612.db2.gz UCFFJHWSTKETGI-XMMPIXPASA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653651 1085202620 /nfs/dbraw/zinc/20/26/20/1085202620.db2.gz UCFFJHWSTKETGI-XMMPIXPASA-N 2 1 364.533 4.210 20 0 FIADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001167587420 1085206153 /nfs/dbraw/zinc/20/61/53/1085206153.db2.gz ZEIWNRFVEMSQFS-UHFFFAOYSA-N 2 1 374.475 4.460 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001167587420 1085206164 /nfs/dbraw/zinc/20/61/64/1085206164.db2.gz ZEIWNRFVEMSQFS-UHFFFAOYSA-N 2 1 374.475 4.460 20 0 FIADMP CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062762 1085275013 /nfs/dbraw/zinc/27/50/13/1085275013.db2.gz FPTBZJFCSNSZGS-UHFFFAOYSA-N 2 1 367.537 4.134 20 0 FIADMP CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062762 1085275029 /nfs/dbraw/zinc/27/50/29/1085275029.db2.gz FPTBZJFCSNSZGS-UHFFFAOYSA-N 2 1 367.537 4.134 20 0 FIADMP Fc1cncc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000684955564 1085301185 /nfs/dbraw/zinc/30/11/85/1085301185.db2.gz QABUXRGNORKVOL-PGRDOPGGSA-N 2 1 353.485 4.174 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955954 1085311799 /nfs/dbraw/zinc/31/17/99/1085311799.db2.gz UAAIAXGHOHIOMK-UNMCSNQZSA-N 2 1 374.532 4.435 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955954 1085311806 /nfs/dbraw/zinc/31/18/06/1085311806.db2.gz UAAIAXGHOHIOMK-UNMCSNQZSA-N 2 1 374.532 4.435 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000657590115 1085644362 /nfs/dbraw/zinc/64/43/62/1085644362.db2.gz PJTVHLAVLMVVQT-KNQAVFIVSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000657590115 1085644364 /nfs/dbraw/zinc/64/43/64/1085644364.db2.gz PJTVHLAVLMVVQT-KNQAVFIVSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237526870 1085710476 /nfs/dbraw/zinc/71/04/76/1085710476.db2.gz KUKFMOXPYXAXCX-NPPFBWRTSA-N 2 1 365.521 4.336 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)C1 ZINC000652348694 1085924465 /nfs/dbraw/zinc/92/44/65/1085924465.db2.gz NVZVQCSMMNRVLT-DNVJHFABSA-N 2 1 356.554 4.453 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000582927146 1085929550 /nfs/dbraw/zinc/92/95/50/1085929550.db2.gz STEYOLCBUXAFST-XNFNUYLZSA-N 2 1 351.966 4.041 20 0 FIADMP CSc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000582934113 1085938077 /nfs/dbraw/zinc/93/80/77/1085938077.db2.gz BAVGPZHTINAWQW-UHFFFAOYSA-N 2 1 365.568 4.077 20 0 FIADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663097534 1085989969 /nfs/dbraw/zinc/98/99/69/1085989969.db2.gz YRSQGVWJRRFIFW-JOCHJYFZSA-N 2 1 352.526 4.052 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)s1 ZINC000511926265 1085991140 /nfs/dbraw/zinc/99/11/40/1085991140.db2.gz ITHKCOYWOCVSBI-UHFFFAOYSA-N 2 1 365.493 4.085 20 0 FIADMP Fc1ccccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648675 1086033795 /nfs/dbraw/zinc/03/37/95/1086033795.db2.gz WKMYBUQSKPHJDD-JTHBVZDNSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001167648675 1086033806 /nfs/dbraw/zinc/03/38/06/1086033806.db2.gz WKMYBUQSKPHJDD-JTHBVZDNSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167648675 1086033819 /nfs/dbraw/zinc/03/38/19/1086033819.db2.gz WKMYBUQSKPHJDD-JTHBVZDNSA-N 2 1 352.497 4.355 20 0 FIADMP Fc1ccccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167648675 1086033830 /nfs/dbraw/zinc/03/38/30/1086033830.db2.gz WKMYBUQSKPHJDD-JTHBVZDNSA-N 2 1 352.497 4.355 20 0 FIADMP Cc1cnn(CCCCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990333 1086145817 /nfs/dbraw/zinc/14/58/17/1086145817.db2.gz HXFMWMOBUHTCNT-JTHBVZDNSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990333 1086145831 /nfs/dbraw/zinc/14/58/31/1086145831.db2.gz HXFMWMOBUHTCNT-JTHBVZDNSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990333 1086145841 /nfs/dbraw/zinc/14/58/41/1086145841.db2.gz HXFMWMOBUHTCNT-JTHBVZDNSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990333 1086145847 /nfs/dbraw/zinc/14/58/47/1086145847.db2.gz HXFMWMOBUHTCNT-JTHBVZDNSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990333 1086145862 /nfs/dbraw/zinc/14/58/62/1086145862.db2.gz HXFMWMOBUHTCNT-JTHBVZDNSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cc(N2CCC([NH2+]C[C@H](C)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000188271087 1086290148 /nfs/dbraw/zinc/29/01/48/1086290148.db2.gz UQXOOOFYSFLBPF-AWEZNQCLSA-N 2 1 358.917 4.109 20 0 FIADMP COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000188470913 1086358391 /nfs/dbraw/zinc/35/83/91/1086358391.db2.gz ZPXIMIVTNBQJOG-HNNXBMFYSA-N 2 1 362.901 4.140 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000511234446 1086392498 /nfs/dbraw/zinc/39/24/98/1086392498.db2.gz LWLKRVFTNXQOHE-SFHVURJKSA-N 2 1 364.489 4.338 20 0 FIADMP CC(C)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000663323976 1086413169 /nfs/dbraw/zinc/41/31/69/1086413169.db2.gz LNHUPCRNVBFHPX-QHCPKHFHSA-N 2 1 352.522 4.057 20 0 FIADMP Cc1cc(C)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(C)c1 ZINC000662327971 1086417878 /nfs/dbraw/zinc/41/78/78/1086417878.db2.gz MZZWGZIFBKSZDC-UHFFFAOYSA-N 2 1 366.553 4.182 20 0 FIADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327513 1086417909 /nfs/dbraw/zinc/41/79/09/1086417909.db2.gz QEJNVBJENCAIBY-JOCHJYFZSA-N 2 1 370.516 4.347 20 0 FIADMP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327975 1086418543 /nfs/dbraw/zinc/41/85/43/1086418543.db2.gz WWRPAGHLKHQBBD-AWEZNQCLSA-N 2 1 374.479 4.096 20 0 FIADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344070 1086442998 /nfs/dbraw/zinc/44/29/98/1086442998.db2.gz NIZATNXYBHVZNG-HXUWFJFHSA-N 2 1 369.578 4.140 20 0 FIADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344070 1086443007 /nfs/dbraw/zinc/44/30/07/1086443007.db2.gz NIZATNXYBHVZNG-HXUWFJFHSA-N 2 1 369.578 4.140 20 0 FIADMP Cc1ccc(-c2nc(CNC[C@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663345527 1086446593 /nfs/dbraw/zinc/44/65/93/1086446593.db2.gz KJAAZBAITNFWIR-GOSISDBHSA-N 2 1 355.551 4.330 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](Cc3ccccc3)C3CC3)CC2)oc1C ZINC000162723735 1086447633 /nfs/dbraw/zinc/44/76/33/1086447633.db2.gz GSIAOATWKZUTOA-JOCHJYFZSA-N 2 1 367.537 4.114 20 0 FIADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468203 1086572440 /nfs/dbraw/zinc/57/24/40/1086572440.db2.gz KEXYRMCICPRMFR-ZFWWWQNUSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468203 1086572451 /nfs/dbraw/zinc/57/24/51/1086572451.db2.gz KEXYRMCICPRMFR-ZFWWWQNUSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468203 1086572462 /nfs/dbraw/zinc/57/24/62/1086572462.db2.gz KEXYRMCICPRMFR-ZFWWWQNUSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472822 1086579840 /nfs/dbraw/zinc/57/98/40/1086579840.db2.gz ARNDYDLSNKWHDS-DNVCBOLYSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472822 1086579847 /nfs/dbraw/zinc/57/98/47/1086579847.db2.gz ARNDYDLSNKWHDS-DNVCBOLYSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472822 1086579852 /nfs/dbraw/zinc/57/98/52/1086579852.db2.gz ARNDYDLSNKWHDS-DNVCBOLYSA-N 2 1 363.427 4.101 20 0 FIADMP CC(C)(C)[N@H+]1CC[C@@](F)(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000583351592 1086596554 /nfs/dbraw/zinc/59/65/54/1086596554.db2.gz HDMMSSOGQRWJGA-NRFANRHFSA-N 2 1 372.488 4.001 20 0 FIADMP CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167839578 1086716318 /nfs/dbraw/zinc/71/63/18/1086716318.db2.gz ALTOXBWLAANDAZ-RBUKOAKNSA-N 2 1 369.594 4.218 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000166685935 1086723848 /nfs/dbraw/zinc/72/38/48/1086723848.db2.gz RWJYXECUKKQGNZ-YPUXHCPYSA-N 2 1 367.518 4.330 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167841370 1086735836 /nfs/dbraw/zinc/73/58/36/1086735836.db2.gz LMOCSOPUWNDZIS-VWNXMTODSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167841370 1086735837 /nfs/dbraw/zinc/73/58/37/1086735837.db2.gz LMOCSOPUWNDZIS-VWNXMTODSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167841370 1086735845 /nfs/dbraw/zinc/73/58/45/1086735845.db2.gz LMOCSOPUWNDZIS-VWNXMTODSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841370 1086735851 /nfs/dbraw/zinc/73/58/51/1086735851.db2.gz LMOCSOPUWNDZIS-VWNXMTODSA-N 2 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841370 1086735857 /nfs/dbraw/zinc/73/58/57/1086735857.db2.gz LMOCSOPUWNDZIS-VWNXMTODSA-N 2 1 371.613 4.485 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512081843 1086743433 /nfs/dbraw/zinc/74/34/33/1086743433.db2.gz BRNDUZKTLDVPRJ-LLVKDONJSA-N 2 1 358.338 4.232 20 0 FIADMP Brc1cccc(C2CC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000432420260 1086744625 /nfs/dbraw/zinc/74/46/25/1086744625.db2.gz AJIOUJPQMWKDPT-NXYGQSRBSA-N 2 1 363.343 4.302 20 0 FIADMP Brc1cccc(C2CC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000432420260 1086744627 /nfs/dbraw/zinc/74/46/27/1086744627.db2.gz AJIOUJPQMWKDPT-NXYGQSRBSA-N 2 1 363.343 4.302 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422391 1086747352 /nfs/dbraw/zinc/74/73/52/1086747352.db2.gz SXRYRPBMZNVWMJ-TZIWHRDSSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422391 1086747359 /nfs/dbraw/zinc/74/73/59/1086747359.db2.gz SXRYRPBMZNVWMJ-TZIWHRDSSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422559 1086747716 /nfs/dbraw/zinc/74/77/16/1086747716.db2.gz FUVMRCOJSCPNJG-DYVFJYSZSA-N 2 1 357.325 4.071 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000512088001 1086753386 /nfs/dbraw/zinc/75/33/86/1086753386.db2.gz NCDODAIKNLMGSL-SFHVURJKSA-N 2 1 368.521 4.368 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000512088001 1086753388 /nfs/dbraw/zinc/75/33/88/1086753388.db2.gz NCDODAIKNLMGSL-SFHVURJKSA-N 2 1 368.521 4.368 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449330 1086781003 /nfs/dbraw/zinc/78/10/03/1086781003.db2.gz VEBHWGPQDFNSLN-UXPWSPDFSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449330 1086781011 /nfs/dbraw/zinc/78/10/11/1086781011.db2.gz VEBHWGPQDFNSLN-UXPWSPDFSA-N 2 1 350.934 4.067 20 0 FIADMP CC1CC[NH+](Cc2ccc(NCc3ncc(C[NH+](C)C)s3)cc2)CC1 ZINC000512131936 1086804690 /nfs/dbraw/zinc/80/46/90/1086804690.db2.gz SXNYDVWOWAWZAP-UHFFFAOYSA-N 2 1 358.555 4.049 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000512178739 1086896329 /nfs/dbraw/zinc/89/63/29/1086896329.db2.gz JPDWGJXGPQBALH-IBGZPJMESA-N 2 1 352.526 4.021 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000512178739 1086896346 /nfs/dbraw/zinc/89/63/46/1086896346.db2.gz JPDWGJXGPQBALH-IBGZPJMESA-N 2 1 352.526 4.021 20 0 FIADMP c1ccc(COc2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000247064234 1086980360 /nfs/dbraw/zinc/98/03/60/1086980360.db2.gz VOEXDOOKSFIQEU-YADHBBJMSA-N 2 1 350.506 4.025 20 0 FIADMP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000564529783 1086996387 /nfs/dbraw/zinc/99/63/87/1086996387.db2.gz XCZPKVWKKCUFTG-SFHVURJKSA-N 2 1 360.904 4.176 20 0 FIADMP Cc1c(Br)cccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279639934 1087013260 /nfs/dbraw/zinc/01/32/60/1087013260.db2.gz SQTXTDYUGKEPDJ-UHFFFAOYSA-N 2 1 351.332 4.065 20 0 FIADMP CSCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536204891 1087133647 /nfs/dbraw/zinc/13/36/47/1087133647.db2.gz RYFWFEPDEWYIJH-UHFFFAOYSA-N 2 1 360.489 4.355 20 0 FIADMP CSCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536204891 1087133659 /nfs/dbraw/zinc/13/36/59/1087133659.db2.gz RYFWFEPDEWYIJH-UHFFFAOYSA-N 2 1 360.489 4.355 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)CC(C)C ZINC000584080786 1087161749 /nfs/dbraw/zinc/16/17/49/1087161749.db2.gz SQKQIVYONAVQAH-UHFFFAOYSA-N 2 1 359.558 4.225 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)c(Cl)c1 ZINC000657830206 1087189027 /nfs/dbraw/zinc/18/90/27/1087189027.db2.gz NJLASHBTKHDVSQ-LLVKDONJSA-N 2 1 357.723 4.380 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000657836568 1087226212 /nfs/dbraw/zinc/22/62/12/1087226212.db2.gz WIGNQCNXYSZIDF-NWDGAFQWSA-N 2 1 357.723 4.237 20 0 FIADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636030 1087329361 /nfs/dbraw/zinc/32/93/61/1087329361.db2.gz ALPRFZCEXYXGOF-FQEVSTJZSA-N 2 1 374.532 4.165 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636030 1087329366 /nfs/dbraw/zinc/32/93/66/1087329366.db2.gz ALPRFZCEXYXGOF-FQEVSTJZSA-N 2 1 374.532 4.165 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636030 1087329369 /nfs/dbraw/zinc/32/93/69/1087329369.db2.gz ALPRFZCEXYXGOF-FQEVSTJZSA-N 2 1 374.532 4.165 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636030 1087329375 /nfs/dbraw/zinc/32/93/75/1087329375.db2.gz ALPRFZCEXYXGOF-FQEVSTJZSA-N 2 1 374.532 4.165 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)(C)C(F)F)CC2)cs1 ZINC000657880667 1087522786 /nfs/dbraw/zinc/52/27/86/1087522786.db2.gz QYYWPVWVPFDERA-CYBMUJFWSA-N 2 1 359.530 4.187 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cn3c(cccc3C)n2)cc1 ZINC000647363715 1087594328 /nfs/dbraw/zinc/59/43/28/1087594328.db2.gz IEIIFIWJRCXPQO-KRWDZBQOSA-N 2 1 359.477 4.030 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720456 1087622417 /nfs/dbraw/zinc/62/24/17/1087622417.db2.gz MSZNWCUQRTZMQK-DENIHFKCSA-N 2 1 352.522 4.128 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658136604 1087729715 /nfs/dbraw/zinc/72/97/15/1087729715.db2.gz HNVLBGJQJZODEZ-FGCOXFRFSA-N 2 1 364.533 4.227 20 0 FIADMP CCCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658141734 1087733247 /nfs/dbraw/zinc/73/32/47/1087733247.db2.gz UKWXQBOTAHKLDG-DHIUTWEWSA-N 2 1 352.522 4.274 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(s1)CCCC2 ZINC000658142527 1087735333 /nfs/dbraw/zinc/73/53/33/1087735333.db2.gz YMMKNYMCNWKEOG-OXJNMPFZSA-N 2 1 370.562 4.044 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(s1)CCCC2 ZINC000658142524 1087735587 /nfs/dbraw/zinc/73/55/87/1087735587.db2.gz YMMKNYMCNWKEOG-JXFKEZNVSA-N 2 1 370.562 4.044 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2ccccc2s1 ZINC000658139964 1087745100 /nfs/dbraw/zinc/74/51/00/1087745100.db2.gz RLAYZEHHEBWTTM-UZLBHIALSA-N 2 1 366.530 4.319 20 0 FIADMP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(OC)c1 ZINC000658165952 1087760850 /nfs/dbraw/zinc/76/08/50/1087760850.db2.gz TWWLLEFESBKBLX-KSFYIVLOSA-N 2 1 365.477 4.228 20 0 FIADMP COCc1csc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000658210722 1087797067 /nfs/dbraw/zinc/79/70/67/1087797067.db2.gz WAOJPWFEPWGYCL-KRWDZBQOSA-N 2 1 358.551 4.080 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000424317916 1087917399 /nfs/dbraw/zinc/91/73/99/1087917399.db2.gz RGSRURMKEYTDFJ-YRNRMSPPSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000424317916 1087917404 /nfs/dbraw/zinc/91/74/04/1087917404.db2.gz RGSRURMKEYTDFJ-YRNRMSPPSA-N 2 1 368.949 4.136 20 0 FIADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1Oc1cccnc1 ZINC000424372401 1087961436 /nfs/dbraw/zinc/96/14/36/1087961436.db2.gz FNOUXPVWBVFKAH-GOSISDBHSA-N 2 1 351.494 4.146 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424375781 1087962933 /nfs/dbraw/zinc/96/29/33/1087962933.db2.gz KCFIUUBTTOLCRZ-HNNXBMFYSA-N 2 1 372.944 4.107 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414787659 1087987226 /nfs/dbraw/zinc/98/72/26/1087987226.db2.gz VSFQMCXWUGXRRC-LEWJYISDSA-N 2 1 350.506 4.184 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@@H]1c1ccccc1 ZINC000423443158 1088233780 /nfs/dbraw/zinc/23/37/80/1088233780.db2.gz QHEDCPQYFDJWCR-CEWLAPEOSA-N 2 1 365.521 4.296 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@@H]1c1ccccc1 ZINC000423443158 1088233794 /nfs/dbraw/zinc/23/37/94/1088233794.db2.gz QHEDCPQYFDJWCR-CEWLAPEOSA-N 2 1 365.521 4.296 20 0 FIADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C(F)(F)F)c1 ZINC000414841269 1088469076 /nfs/dbraw/zinc/46/90/76/1088469076.db2.gz ZCDWQGQEUHQNJK-PBWFPOADSA-N 2 1 352.322 4.097 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715093 /nfs/dbraw/zinc/71/50/93/1088715093.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715108 /nfs/dbraw/zinc/71/51/08/1088715108.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715117 /nfs/dbraw/zinc/71/51/17/1088715117.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715131 /nfs/dbraw/zinc/71/51/31/1088715131.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715145 /nfs/dbraw/zinc/71/51/45/1088715145.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715159 /nfs/dbraw/zinc/71/51/59/1088715159.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715169 /nfs/dbraw/zinc/71/51/69/1088715169.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715178 /nfs/dbraw/zinc/71/51/78/1088715178.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514095661 1088715187 /nfs/dbraw/zinc/71/51/87/1088715187.db2.gz SFAOXJNFKAJOOO-RLLPEYFOSA-N 2 1 355.570 4.023 20 0 FIADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000514249492 1088929016 /nfs/dbraw/zinc/92/90/16/1088929016.db2.gz GUQOJAXHWFJOFI-YAECTWJJSA-N 2 1 370.924 4.100 20 0 FIADMP COc1ccc(CN2CC[C@@H](Oc3ccncc3C)C2)c(C(F)(F)F)c1 ZINC001143485526 1088966948 /nfs/dbraw/zinc/96/69/48/1088966948.db2.gz BBSRUALLGLWHFE-MRXNPFEDSA-N 2 1 366.383 4.071 20 0 FIADMP COc1cccc(Cl)c1C[N@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000549139553 1089001181 /nfs/dbraw/zinc/00/11/81/1089001181.db2.gz ZFOKOHZTUZZIEX-HNNXBMFYSA-N 2 1 359.901 4.179 20 0 FIADMP COc1cccc(Cl)c1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000549139553 1089001196 /nfs/dbraw/zinc/00/11/96/1089001196.db2.gz ZFOKOHZTUZZIEX-HNNXBMFYSA-N 2 1 359.901 4.179 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000415062075 1089112783 /nfs/dbraw/zinc/11/27/83/1089112783.db2.gz ZNXKLBFGBYEXTJ-WTIAFYNJSA-N 3 1 351.538 4.109 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000415062075 1089112790 /nfs/dbraw/zinc/11/27/90/1089112790.db2.gz ZNXKLBFGBYEXTJ-WTIAFYNJSA-N 3 1 351.538 4.109 20 0 FIADMP Cc1ccccc1C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505607789 1089288417 /nfs/dbraw/zinc/28/84/17/1089288417.db2.gz KHMXSAQMSJYVJL-UHFFFAOYSA-N 2 1 351.538 4.157 20 0 FIADMP C[N@H+](Cc1ccc(-c2nc3ccccc3s2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435375267 1089569705 /nfs/dbraw/zinc/56/97/05/1089569705.db2.gz LGUXMRYRGMKOQV-YIONKMFJSA-N 2 1 353.491 4.271 20 0 FIADMP C[N@@H+](Cc1ccc(-c2nc3ccccc3s2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435375267 1089569724 /nfs/dbraw/zinc/56/97/24/1089569724.db2.gz LGUXMRYRGMKOQV-YIONKMFJSA-N 2 1 353.491 4.271 20 0 FIADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435388568 1089594912 /nfs/dbraw/zinc/59/49/12/1089594912.db2.gz GNRKNYBHRZAORW-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435388568 1089594931 /nfs/dbraw/zinc/59/49/31/1089594931.db2.gz GNRKNYBHRZAORW-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000515067270 1089752890 /nfs/dbraw/zinc/75/28/90/1089752890.db2.gz AIXTZGALKFQGAO-KRWDZBQOSA-N 2 1 359.341 4.269 20 0 FIADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1)CC(C)C ZINC000415898911 1089982535 /nfs/dbraw/zinc/98/25/35/1089982535.db2.gz IEVQZFIGHZBYNY-UHFFFAOYSA-N 2 1 374.573 4.018 20 0 FIADMP CO[C@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000549392955 1090018597 /nfs/dbraw/zinc/01/85/97/1090018597.db2.gz FUBBJGNKRPTJHF-VNHKHXMHSA-N 2 1 352.522 4.120 20 0 FIADMP CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000312148361 1090320094 /nfs/dbraw/zinc/32/00/94/1090320094.db2.gz DCBKYDQGTJQECS-HBFSDRIKSA-N 2 1 371.525 4.237 20 0 FIADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000236853226 1090714959 /nfs/dbraw/zinc/71/49/59/1090714959.db2.gz KBNNEEJMTRRCLD-UHFFFAOYSA-N 2 1 362.949 4.023 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000584860190 1090954500 /nfs/dbraw/zinc/95/45/00/1090954500.db2.gz ONWOCACRCVJBFG-CYBMUJFWSA-N 2 1 368.294 4.094 20 0 FIADMP Cc1cccc(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)Cc2ccco2)c1 ZINC000500132080 1091058289 /nfs/dbraw/zinc/05/82/89/1091058289.db2.gz LFZHMIWUQIOEDF-UHFFFAOYSA-N 2 1 369.553 4.006 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390685386 1091399324 /nfs/dbraw/zinc/39/93/24/1091399324.db2.gz XPVVBLFSSASETL-AVRDEDQJSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390685386 1091399327 /nfs/dbraw/zinc/39/93/27/1091399327.db2.gz XPVVBLFSSASETL-AVRDEDQJSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511772552 1091656985 /nfs/dbraw/zinc/65/69/85/1091656985.db2.gz MPIMTXJENRGRTE-DXIQSLLYSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511772558 1091657027 /nfs/dbraw/zinc/65/70/27/1091657027.db2.gz MPIMTXJENRGRTE-XQBPLPMBSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c(F)ccc(O)c2F)C[N@H+]1Cc1ccccc1 ZINC000511778320 1091668127 /nfs/dbraw/zinc/66/81/27/1091668127.db2.gz ZIZDGZGORDPEGW-DOTOQJQBSA-N 2 1 360.448 4.061 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(F)c3F)CCCC2)s1 ZINC000511779484 1091669496 /nfs/dbraw/zinc/66/94/96/1091669496.db2.gz VAYAWRXMFAASGC-UHFFFAOYSA-N 2 1 365.493 4.085 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213461 1091917612 /nfs/dbraw/zinc/91/76/12/1091917612.db2.gz OIJXIBKKFRMNHK-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213461 1091917613 /nfs/dbraw/zinc/91/76/13/1091917613.db2.gz OIJXIBKKFRMNHK-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213461 1091917614 /nfs/dbraw/zinc/91/76/14/1091917614.db2.gz OIJXIBKKFRMNHK-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213461 1091917615 /nfs/dbraw/zinc/91/76/15/1091917615.db2.gz OIJXIBKKFRMNHK-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP CCC1(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCOCC1 ZINC000512383099 1092201691 /nfs/dbraw/zinc/20/16/91/1092201691.db2.gz SXSKGYMXEMPILS-UHFFFAOYSA-N 2 1 356.510 4.208 20 0 FIADMP Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428227633 1092260318 /nfs/dbraw/zinc/26/03/18/1092260318.db2.gz SNNVQCYBTUAVDE-KSEOMHKRSA-N 2 1 353.510 4.072 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012210 1092346020 /nfs/dbraw/zinc/34/60/20/1092346020.db2.gz XXOMYWSBHUWLKP-WNXIRNOKSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000520949871 1092376285 /nfs/dbraw/zinc/37/62/85/1092376285.db2.gz UGAFKSHMMVTFBB-CQSZACIVSA-N 2 1 357.311 4.190 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000512461871 1092426013 /nfs/dbraw/zinc/42/60/13/1092426013.db2.gz GFTZLCUYOOMNER-UHFFFAOYSA-N 2 1 368.496 4.243 20 0 FIADMP C[NH+](C)Cc1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC000500785629 1092574506 /nfs/dbraw/zinc/57/45/06/1092574506.db2.gz HACFBPRCNZJQML-UHFFFAOYSA-N 2 1 371.912 4.250 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442793818 1092770052 /nfs/dbraw/zinc/77/00/52/1092770052.db2.gz SDIHCFQJVHVAFX-YJBOKZPZSA-N 2 1 356.473 4.480 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794922 1092770548 /nfs/dbraw/zinc/77/05/48/1092770548.db2.gz SRLWHKPITAVWFB-LZNRXBQRSA-N 2 1 359.517 4.135 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794922 1092770556 /nfs/dbraw/zinc/77/05/56/1092770556.db2.gz SRLWHKPITAVWFB-LZNRXBQRSA-N 2 1 359.517 4.135 20 0 FIADMP COCC[NH+]1CCC([NH2+]Cc2sc3ccc(Cl)cc3c2C)CC1 ZINC000442848258 1092792684 /nfs/dbraw/zinc/79/26/84/1092792684.db2.gz AOLREQVSYPOPGD-UHFFFAOYSA-N 2 1 352.931 4.064 20 0 FIADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1(C)C ZINC000442874969 1092822413 /nfs/dbraw/zinc/82/24/13/1092822413.db2.gz RXDXXVPDEIGOOE-OAQYLSRUSA-N 2 1 371.956 4.045 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)cc1F ZINC000521816802 1092936083 /nfs/dbraw/zinc/93/60/83/1092936083.db2.gz ITIXRTDTMNNSKY-CQSZACIVSA-N 2 1 357.311 4.332 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205257 1092991006 /nfs/dbraw/zinc/99/10/06/1092991006.db2.gz SAQKVCYNIGHMTD-CZAAIQMYSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205257 1092991009 /nfs/dbraw/zinc/99/10/09/1092991009.db2.gz SAQKVCYNIGHMTD-CZAAIQMYSA-N 2 1 354.469 4.150 20 0 FIADMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000512614115 1092992528 /nfs/dbraw/zinc/99/25/28/1092992528.db2.gz UXGIGPGNHMPXGI-NJDAHSKKSA-N 2 1 369.578 4.193 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cc1 ZINC000152107520 1092994510 /nfs/dbraw/zinc/99/45/10/1092994510.db2.gz AWKCHMICSBSRCX-SFHVURJKSA-N 2 1 371.488 4.276 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015287 1092997809 /nfs/dbraw/zinc/99/78/09/1092997809.db2.gz QMDRBHSAFFVSEB-QXUYBEEESA-N 2 1 357.586 4.282 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015287 1092997814 /nfs/dbraw/zinc/99/78/14/1092997814.db2.gz QMDRBHSAFFVSEB-QXUYBEEESA-N 2 1 357.586 4.282 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015287 1092997818 /nfs/dbraw/zinc/99/78/18/1092997818.db2.gz QMDRBHSAFFVSEB-QXUYBEEESA-N 2 1 357.586 4.282 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000512636275 1093052220 /nfs/dbraw/zinc/05/22/20/1093052220.db2.gz KWGPJIKUDMDHPD-HLAWJBBLSA-N 2 1 369.578 4.138 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017513 1093151281 /nfs/dbraw/zinc/15/12/81/1093151281.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 2 1 355.570 4.033 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017513 1093151284 /nfs/dbraw/zinc/15/12/84/1093151284.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 2 1 355.570 4.033 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017513 1093151286 /nfs/dbraw/zinc/15/12/86/1093151286.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 2 1 355.570 4.033 20 0 FIADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)s1 ZINC000433043812 1093153887 /nfs/dbraw/zinc/15/38/87/1093153887.db2.gz GIXGPHOJQJTZGL-UHFFFAOYSA-N 2 1 355.551 4.248 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)c1 ZINC000474076657 1093189506 /nfs/dbraw/zinc/18/95/06/1093189506.db2.gz YSCNBLYBAYVAQR-KOUHRCEDSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)c1 ZINC000474076657 1093189510 /nfs/dbraw/zinc/18/95/10/1093189510.db2.gz YSCNBLYBAYVAQR-KOUHRCEDSA-N 2 1 362.583 4.145 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022432 1093304573 /nfs/dbraw/zinc/30/45/73/1093304573.db2.gz RXXKGJGQMPMEAZ-XGSIWGDSSA-N 2 1 368.565 4.101 20 0 FIADMP CC(C)(O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000249001426 1093324792 /nfs/dbraw/zinc/32/47/92/1093324792.db2.gz QTGJGPVPYWMUSZ-NUNAXRQHSA-N 2 1 364.533 4.199 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167919296 1093433842 /nfs/dbraw/zinc/43/38/42/1093433842.db2.gz XQNUZABDZXOKSL-MBBYRJAFSA-N 2 1 363.343 4.320 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000191522174 1093439291 /nfs/dbraw/zinc/43/92/91/1093439291.db2.gz CKUISCNEUCTTCG-QGZVFWFLSA-N 2 1 367.497 4.277 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000191522174 1093439299 /nfs/dbraw/zinc/43/92/99/1093439299.db2.gz CKUISCNEUCTTCG-QGZVFWFLSA-N 2 1 367.497 4.277 20 0 FIADMP COC(=O)CC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168028839 1093542093 /nfs/dbraw/zinc/54/20/93/1093542093.db2.gz QPXHVFUEEYSVMY-CEQLMSFQSA-N 2 1 372.553 4.284 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277637 1093646041 /nfs/dbraw/zinc/64/60/41/1093646041.db2.gz ZMRJFELGFMTCNY-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277637 1093646046 /nfs/dbraw/zinc/64/60/46/1093646046.db2.gz ZMRJFELGFMTCNY-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277637 1093646050 /nfs/dbraw/zinc/64/60/50/1093646050.db2.gz ZMRJFELGFMTCNY-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277637 1093646055 /nfs/dbraw/zinc/64/60/55/1093646055.db2.gz ZMRJFELGFMTCNY-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP C[C@@H]1CC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032308 1093652538 /nfs/dbraw/zinc/65/25/38/1093652538.db2.gz HLWKHISNHNHDLT-KCZVDYSFSA-N 2 1 369.597 4.425 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433396341 1093668298 /nfs/dbraw/zinc/66/82/98/1093668298.db2.gz WCWKZSFXGHHGEY-PKOBYXMFSA-N 2 1 366.521 4.155 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433396341 1093668303 /nfs/dbraw/zinc/66/83/03/1093668303.db2.gz WCWKZSFXGHHGEY-PKOBYXMFSA-N 2 1 366.521 4.155 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032954 1093680073 /nfs/dbraw/zinc/68/00/73/1093680073.db2.gz JEIIHMPSACKTBV-MHXAIHSWSA-N 2 1 364.533 4.269 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000513042934 1093689134 /nfs/dbraw/zinc/68/91/34/1093689134.db2.gz VUAKJTCVFNUPAO-HYBUGGRVSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513042934 1093689136 /nfs/dbraw/zinc/68/91/36/1093689136.db2.gz VUAKJTCVFNUPAO-HYBUGGRVSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000513052911 1093697802 /nfs/dbraw/zinc/69/78/02/1093697802.db2.gz UHINXJVCYUNDCF-WMZHIEFXSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000513052911 1093697806 /nfs/dbraw/zinc/69/78/06/1093697806.db2.gz UHINXJVCYUNDCF-WMZHIEFXSA-N 2 1 359.517 4.420 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000067222994 1093720454 /nfs/dbraw/zinc/72/04/54/1093720454.db2.gz GACPETNIIIACKD-SFHVURJKSA-N 2 1 374.550 4.157 20 0 FIADMP COCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168034491 1093753920 /nfs/dbraw/zinc/75/39/20/1093753920.db2.gz PTLIUIKOECLLFF-BBIADKPPSA-N 2 1 352.522 4.364 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(F)cc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035081 1093792491 /nfs/dbraw/zinc/79/24/91/1093792491.db2.gz SNTIUPQRAOWIGE-OIDISNMWSA-N 2 1 352.497 4.324 20 0 FIADMP C[C@@H]1C[C@@H](N(C(N)=[NH2+])c2ccc(Cl)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036254 1093849592 /nfs/dbraw/zinc/84/95/92/1093849592.db2.gz URCHWPMEYKWVHV-CWPLJXCYSA-N 2 1 370.928 4.481 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363054 1094080267 /nfs/dbraw/zinc/08/02/67/1094080267.db2.gz GUFMEWKIRFLSPN-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363054 1094080277 /nfs/dbraw/zinc/08/02/77/1094080277.db2.gz GUFMEWKIRFLSPN-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H](CCN[C@@H](Cc1ccccn1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000513364185 1094080396 /nfs/dbraw/zinc/08/03/96/1094080396.db2.gz GYTAHINGDZCCEB-YKSBVNFPSA-N 2 1 374.532 4.261 20 0 FIADMP C[C@H](CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000513364185 1094080400 /nfs/dbraw/zinc/08/04/00/1094080400.db2.gz GYTAHINGDZCCEB-YKSBVNFPSA-N 2 1 374.532 4.261 20 0 FIADMP C[C@H](CCN[C@H](Cc1ccccn1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000513364183 1094080894 /nfs/dbraw/zinc/08/08/94/1094080894.db2.gz GYTAHINGDZCCEB-HYBUGGRVSA-N 2 1 374.532 4.261 20 0 FIADMP C[C@H](CC[NH2+][C@H](Cc1ccccn1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000513364183 1094080900 /nfs/dbraw/zinc/08/09/00/1094080900.db2.gz GYTAHINGDZCCEB-HYBUGGRVSA-N 2 1 374.532 4.261 20 0 FIADMP COCc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513487684 1094158195 /nfs/dbraw/zinc/15/81/95/1094158195.db2.gz IQOZTGBOZOPEIT-UGKGYDQZSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000513494099 1094162325 /nfs/dbraw/zinc/16/23/25/1094162325.db2.gz FWRQSVDBGWEFFI-FXAWDEMLSA-N 2 1 356.485 4.225 20 0 FIADMP COc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1OC ZINC000513495746 1094162847 /nfs/dbraw/zinc/16/28/47/1094162847.db2.gz UPRKDIZMMIZCBM-QUCCMNQESA-N 2 1 368.521 4.094 20 0 FIADMP COc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1OC ZINC000513495745 1094162980 /nfs/dbraw/zinc/16/29/80/1094162980.db2.gz UPRKDIZMMIZCBM-ICSRJNTNSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3ccnc3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488016 1094167237 /nfs/dbraw/zinc/16/72/37/1094167237.db2.gz NQCMKJQQMVBESW-NFBKMPQASA-N 2 1 374.532 4.263 20 0 FIADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000513510497 1094184821 /nfs/dbraw/zinc/18/48/21/1094184821.db2.gz DDNMHCOUICJICE-AZUAARDMSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2CC2CCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036930 1094316608 /nfs/dbraw/zinc/31/66/08/1094316608.db2.gz WDWZIEFSEJGMFG-HATOLVCRSA-N 2 1 366.553 4.214 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2CC2CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036930 1094316619 /nfs/dbraw/zinc/31/66/19/1094316619.db2.gz WDWZIEFSEJGMFG-HATOLVCRSA-N 2 1 366.553 4.214 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000513697634 1094351944 /nfs/dbraw/zinc/35/19/44/1094351944.db2.gz PZKOCGDEBXPEFH-STZQEDGTSA-N 2 1 353.485 4.001 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000513697634 1094351960 /nfs/dbraw/zinc/35/19/60/1094351960.db2.gz PZKOCGDEBXPEFH-STZQEDGTSA-N 2 1 353.485 4.001 20 0 FIADMP C[N@H+](Cc1coc(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029555 1094429668 /nfs/dbraw/zinc/42/96/68/1094429668.db2.gz RUDFPPKIEPHRMU-UHFFFAOYSA-N 2 1 362.477 4.085 20 0 FIADMP CC(C)Oc1ccccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049073 1094455342 /nfs/dbraw/zinc/45/53/42/1094455342.db2.gz ATPHIRQQTKDJFY-UHFFFAOYSA-N 2 1 353.510 4.217 20 0 FIADMP C[N@H+](Cc1csc(-c2ccco2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501057013 1094466285 /nfs/dbraw/zinc/46/62/85/1094466285.db2.gz YGVWYDIKCWNTCI-UHFFFAOYSA-N 2 1 368.506 4.147 20 0 FIADMP CC(C)[C@@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1cccc(N)n1 ZINC001168039887 1094477697 /nfs/dbraw/zinc/47/76/97/1094477697.db2.gz IHSOEVWQKKTACS-IUKKYPGJSA-N 2 1 366.553 4.392 20 0 FIADMP CC(C)[N@H+]1CC[C@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039919 1094480718 /nfs/dbraw/zinc/48/07/18/1094480718.db2.gz IRQKWXRKYSKLLI-NVJIOZQYSA-N 2 1 357.586 4.136 20 0 FIADMP CC(C)[N@H+]1CC[C@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC001168039922 1094480890 /nfs/dbraw/zinc/48/08/90/1094480890.db2.gz IRQKWXRKYSKLLI-URFJDIBFSA-N 2 1 357.586 4.136 20 0 FIADMP COc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501077747 1094495091 /nfs/dbraw/zinc/49/50/91/1094495091.db2.gz ORTNDXBCNWIKEO-UHFFFAOYSA-N 2 1 359.901 4.092 20 0 FIADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501117298 1094516278 /nfs/dbraw/zinc/51/62/78/1094516278.db2.gz IKSWJYPPYRPVIK-HBMCJLEFSA-N 2 1 365.565 4.391 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000474735205 1094548945 /nfs/dbraw/zinc/54/89/45/1094548945.db2.gz WTYKWXZPCSVLAR-SJBKTWHCSA-N 2 1 366.549 4.341 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811466 1094633884 /nfs/dbraw/zinc/63/38/84/1094633884.db2.gz ROVAOZNXIRUJQA-XIVBQZFQSA-N 2 1 370.459 4.103 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811466 1094633890 /nfs/dbraw/zinc/63/38/90/1094633890.db2.gz ROVAOZNXIRUJQA-XIVBQZFQSA-N 2 1 370.459 4.103 20 0 FIADMP CSc1cc(Br)ccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000532296641 1094663028 /nfs/dbraw/zinc/66/30/28/1094663028.db2.gz MRYZSZWHSDNGNC-LBPRGKRZSA-N 2 1 368.344 4.102 20 0 FIADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(OC(F)(F)F)cc1 ZINC000513713164 1094677536 /nfs/dbraw/zinc/67/75/36/1094677536.db2.gz LIARERYXPONPHT-DYVFJYSZSA-N 2 1 355.404 4.467 20 0 FIADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(OC(F)(F)F)cc1 ZINC000513713166 1094678478 /nfs/dbraw/zinc/67/84/78/1094678478.db2.gz LIARERYXPONPHT-SUMWQHHRSA-N 2 1 355.404 4.467 20 0 FIADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000501538883 1094765711 /nfs/dbraw/zinc/76/57/11/1094765711.db2.gz LJGURYUDFYJOMI-JOCHJYFZSA-N 2 1 353.485 4.447 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H](C)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000474878331 1094828261 /nfs/dbraw/zinc/82/82/61/1094828261.db2.gz OSQNHHNUVRGRRH-JKSUJKDBSA-N 2 1 372.944 4.497 20 0 FIADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000474890705 1094870518 /nfs/dbraw/zinc/87/05/18/1094870518.db2.gz VUPBEKVQWIPOEB-ROUUACIJSA-N 2 1 364.961 4.457 20 0 FIADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474890706 1094870945 /nfs/dbraw/zinc/87/09/45/1094870945.db2.gz VUPBEKVQWIPOEB-ZWKOTPCHSA-N 2 1 364.961 4.457 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000420306026 1094872556 /nfs/dbraw/zinc/87/25/56/1094872556.db2.gz HFGNFGVTGCKNEY-HNAYVOBHSA-N 2 1 359.514 4.080 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000420306026 1094872566 /nfs/dbraw/zinc/87/25/66/1094872566.db2.gz HFGNFGVTGCKNEY-HNAYVOBHSA-N 2 1 359.514 4.080 20 0 FIADMP Clc1ccccc1-c1csc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325580 1094889421 /nfs/dbraw/zinc/88/94/21/1094889421.db2.gz IVQSLXDWZDTNJP-GJZGRUSLSA-N 2 1 361.942 4.285 20 0 FIADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000420353593 1094896604 /nfs/dbraw/zinc/89/66/04/1094896604.db2.gz APQAQNLGHVTCFL-JOCHJYFZSA-N 2 1 365.521 4.179 20 0 FIADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000474943880 1094938927 /nfs/dbraw/zinc/93/89/27/1094938927.db2.gz OEHLVGQEIDGUOR-PNLZDCPESA-N 2 1 372.940 4.188 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000501902122 1094995841 /nfs/dbraw/zinc/99/58/41/1094995841.db2.gz WPTPNJSLDPDFJU-NRFANRHFSA-N 2 1 363.977 4.283 20 0 FIADMP CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000502059014 1095076266 /nfs/dbraw/zinc/07/62/66/1095076266.db2.gz VHRQNFNWRLLPCZ-NZQKXSOJSA-N 2 1 374.569 4.235 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935629 1095174817 /nfs/dbraw/zinc/17/48/17/1095174817.db2.gz MIIVLIYZVNFUSL-HBGVWJBISA-N 2 1 358.913 4.177 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935629 1095174820 /nfs/dbraw/zinc/17/48/20/1095174820.db2.gz MIIVLIYZVNFUSL-HBGVWJBISA-N 2 1 358.913 4.177 20 0 FIADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960826 1095202674 /nfs/dbraw/zinc/20/26/74/1095202674.db2.gz HZWFCQKJRHEATD-QGZVFWFLSA-N 2 1 356.535 4.092 20 0 FIADMP C[C@@H]1CC([N@@H+]2CCc3cc(O)ccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047553 1095389467 /nfs/dbraw/zinc/38/94/67/1095389467.db2.gz QQZDXMGQMZYJHZ-QZTJIDSGSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1CC([N@H+]2CCc3cc(O)ccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047553 1095389484 /nfs/dbraw/zinc/38/94/84/1095389484.db2.gz QQZDXMGQMZYJHZ-QZTJIDSGSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000502411455 1095436025 /nfs/dbraw/zinc/43/60/25/1095436025.db2.gz ARZRCCFKBGUYFD-BAGYTPMASA-N 2 1 356.554 4.226 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458545 1095487879 /nfs/dbraw/zinc/48/78/79/1095487879.db2.gz CXQQBSQIXWNWTF-AZUAARDMSA-N 2 1 352.526 4.171 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCSCC5)[C@H]3C2)cc1 ZINC000421384113 1095586813 /nfs/dbraw/zinc/58/68/13/1095586813.db2.gz OWHBYWHNGQTVFA-WOZUAGRISA-N 2 1 356.579 4.020 20 0 FIADMP COC1(C[C@@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCC1 ZINC000760016562 1095717441 /nfs/dbraw/zinc/71/74/41/1095717441.db2.gz PDRYORJXGMEMPR-GOSISDBHSA-N 2 1 359.558 4.224 20 0 FIADMP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000444166191 1095792116 /nfs/dbraw/zinc/79/21/16/1095792116.db2.gz ISZRUJCOCPXNRI-OAHLLOKOSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000444166191 1095792128 /nfs/dbraw/zinc/79/21/28/1095792128.db2.gz ISZRUJCOCPXNRI-OAHLLOKOSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC[C@H]1CCCC[N@H+]1C ZINC000444166191 1095792144 /nfs/dbraw/zinc/79/21/44/1095792144.db2.gz ISZRUJCOCPXNRI-OAHLLOKOSA-N 2 1 372.340 4.128 20 0 FIADMP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C2CC2)c(F)c1 ZINC000421831709 1095943732 /nfs/dbraw/zinc/94/37/32/1095943732.db2.gz LPTLLXMQFCZWPM-QFIPXVFZSA-N 2 1 369.484 4.247 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000503052762 1096033954 /nfs/dbraw/zinc/03/39/54/1096033954.db2.gz MGKRFQVPWRESFX-UHFFFAOYSA-N 2 1 350.304 4.259 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cccc4[nH]ccc43)CC2)cc1 ZINC000503120025 1096074385 /nfs/dbraw/zinc/07/43/85/1096074385.db2.gz MGXFPBWXEVDPQU-UHFFFAOYSA-N 2 1 365.496 4.146 20 0 FIADMP c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000503123194 1096075239 /nfs/dbraw/zinc/07/52/39/1096075239.db2.gz RJJXXAANOCTCBZ-BGWNEDDSSA-N 2 1 359.517 4.211 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccsc2S1 ZINC000272774861 1096210696 /nfs/dbraw/zinc/21/06/96/1096210696.db2.gz UETWOXFXJOGREN-UCLAIMLFSA-N 2 1 374.575 4.030 20 0 FIADMP Fc1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000273456926 1096263606 /nfs/dbraw/zinc/26/36/06/1096263606.db2.gz PSSGFOHIGHJPGL-GOTSBHOMSA-N 2 1 368.496 4.300 20 0 FIADMP Fc1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000273456929 1096263814 /nfs/dbraw/zinc/26/38/14/1096263814.db2.gz PSSGFOHIGHJPGL-PKTZIBPZSA-N 2 1 368.496 4.300 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414654332 1096349978 /nfs/dbraw/zinc/34/99/78/1096349978.db2.gz BYKPKUFMXQAMSH-RTBURBONSA-N 2 1 360.505 4.017 20 0 FIADMP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000503369966 1096369882 /nfs/dbraw/zinc/36/98/82/1096369882.db2.gz CQUFCRMEJYLYCQ-HNNXBMFYSA-N 2 1 358.555 4.353 20 0 FIADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000503369966 1096369892 /nfs/dbraw/zinc/36/98/92/1096369892.db2.gz CQUFCRMEJYLYCQ-HNNXBMFYSA-N 2 1 358.555 4.353 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414662431 1096372016 /nfs/dbraw/zinc/37/20/16/1096372016.db2.gz QFNRHQAIUWOBTI-ICSRJNTNSA-N 2 1 360.505 4.017 20 0 FIADMP c1csc(C[N@H+](Cc2cccc(C3CC3)c2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000422556706 1096397670 /nfs/dbraw/zinc/39/76/70/1096397670.db2.gz UJYRSBJMRUPPRA-IBGZPJMESA-N 2 1 353.535 4.165 20 0 FIADMP c1csc(C[N@@H+](Cc2cccc(C3CC3)c2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000422556706 1096397679 /nfs/dbraw/zinc/39/76/79/1096397679.db2.gz UJYRSBJMRUPPRA-IBGZPJMESA-N 2 1 353.535 4.165 20 0 FIADMP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000503560712 1096464451 /nfs/dbraw/zinc/46/44/51/1096464451.db2.gz ZKOYQNOJTSBWAR-JOCHJYFZSA-N 2 1 367.537 4.139 20 0 FIADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000503560712 1096464457 /nfs/dbraw/zinc/46/44/57/1096464457.db2.gz ZKOYQNOJTSBWAR-JOCHJYFZSA-N 2 1 367.537 4.139 20 0 FIADMP CCc1cc(OC)ccc1C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000503560712 1096464463 /nfs/dbraw/zinc/46/44/63/1096464463.db2.gz ZKOYQNOJTSBWAR-JOCHJYFZSA-N 2 1 367.537 4.139 20 0 FIADMP CCc1cc(OC)ccc1C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000503560712 1096464468 /nfs/dbraw/zinc/46/44/68/1096464468.db2.gz ZKOYQNOJTSBWAR-JOCHJYFZSA-N 2 1 367.537 4.139 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnccc1N ZINC000422733560 1096465135 /nfs/dbraw/zinc/46/51/35/1096465135.db2.gz RDXZPDSHKWDGIE-KRWDZBQOSA-N 2 1 352.526 4.109 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422736446 1096475871 /nfs/dbraw/zinc/47/58/71/1096475871.db2.gz YBASHGWPXSQQKO-MJGOQNOKSA-N 2 1 363.288 4.339 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000422947776 1096536897 /nfs/dbraw/zinc/53/68/97/1096536897.db2.gz YVYCCFRYYRAIAE-FFZOFVMBSA-N 2 1 354.494 4.238 20 0 FIADMP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422987419 1096546279 /nfs/dbraw/zinc/54/62/79/1096546279.db2.gz GJRIAFXOJXHYTD-MYDTUXCISA-N 2 1 350.506 4.207 20 0 FIADMP C[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H]1C[NH3+] ZINC000414719003 1096588574 /nfs/dbraw/zinc/58/85/74/1096588574.db2.gz XENLKYXWYFLUOU-UTKZUKDTSA-N 2 1 372.557 4.042 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nn(CCC(C)C)c2ccccc12 ZINC000423151916 1096588620 /nfs/dbraw/zinc/58/86/20/1096588620.db2.gz KUMTVTKREPKUHU-INIZCTEOSA-N 2 1 365.525 4.095 20 0 FIADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503913098 1096595117 /nfs/dbraw/zinc/59/51/17/1096595117.db2.gz SSNRVKSDAMDVOU-DGDSNLKDSA-N 2 1 364.480 4.322 20 0 FIADMP c1cc2c(cccc2CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000503951804 1096609756 /nfs/dbraw/zinc/60/97/56/1096609756.db2.gz YFSXYPDPUSRVBG-DKUWSORSSA-N 2 1 359.517 4.496 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1F ZINC000423368776 1096658457 /nfs/dbraw/zinc/65/84/57/1096658457.db2.gz NMJCXBJYYAQNDD-QKRUXVEJSA-N 2 1 362.386 4.121 20 0 FIADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000423392986 1096663700 /nfs/dbraw/zinc/66/37/00/1096663700.db2.gz XYNZMSLHGUYRNN-FOGDFJRCSA-N 2 1 365.237 4.259 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC[NH2+]1 ZINC000423387593 1096663993 /nfs/dbraw/zinc/66/39/93/1096663993.db2.gz SOGBFEJHESTRII-HICWGWBUSA-N 2 1 357.723 4.284 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423399113 1096667512 /nfs/dbraw/zinc/66/75/12/1096667512.db2.gz PJXFGAGBZMLTGT-PRXAMGSTSA-N 2 1 367.324 4.136 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000423471401 1096693852 /nfs/dbraw/zinc/69/38/52/1096693852.db2.gz LZODHAIIZDVVQT-YLQAJVPDSA-N 2 1 366.402 4.287 20 0 FIADMP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1C)c1ccccc1 ZINC000504162838 1096697219 /nfs/dbraw/zinc/69/72/19/1096697219.db2.gz OJTXIJPJCDPDIP-HSZRJFAPSA-N 2 1 354.538 4.411 20 0 FIADMP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1C)c1ccccc1 ZINC000504162838 1096697227 /nfs/dbraw/zinc/69/72/27/1096697227.db2.gz OJTXIJPJCDPDIP-HSZRJFAPSA-N 2 1 354.538 4.411 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434031 1098616241 /nfs/dbraw/zinc/61/62/41/1098616241.db2.gz PDJUTCIDVHSCHX-UGKGYDQZSA-N 2 1 372.516 4.144 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434031 1098616248 /nfs/dbraw/zinc/61/62/48/1098616248.db2.gz PDJUTCIDVHSCHX-UGKGYDQZSA-N 2 1 372.516 4.144 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275636 1098901454 /nfs/dbraw/zinc/90/14/54/1098901454.db2.gz PHTJUNMVTQKCAA-HNNXBMFYSA-N 2 1 372.563 4.202 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275636 1098901462 /nfs/dbraw/zinc/90/14/62/1098901462.db2.gz PHTJUNMVTQKCAA-HNNXBMFYSA-N 2 1 372.563 4.202 20 0 FIADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296608 1098910173 /nfs/dbraw/zinc/91/01/73/1098910173.db2.gz VFUZGRDKELLIDE-XLIONFOSSA-N 2 1 360.542 4.022 20 0 FIADMP CCCO[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000533280628 1098944417 /nfs/dbraw/zinc/94/44/17/1098944417.db2.gz LRGIUMLOLVNAOK-FGZHOGPDSA-N 2 1 368.606 4.185 20 0 FIADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533534555 1099161532 /nfs/dbraw/zinc/16/15/32/1099161532.db2.gz XKJSPPFOYHAONC-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533534555 1099161542 /nfs/dbraw/zinc/16/15/42/1099161542.db2.gz XKJSPPFOYHAONC-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533534555 1099161550 /nfs/dbraw/zinc/16/15/50/1099161550.db2.gz XKJSPPFOYHAONC-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247130950 1099384937 /nfs/dbraw/zinc/38/49/37/1099384937.db2.gz NTTFGWOYGAMTCL-IRXDYDNUSA-N 2 1 350.466 4.091 20 0 FIADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247130950 1099384947 /nfs/dbraw/zinc/38/49/47/1099384947.db2.gz NTTFGWOYGAMTCL-IRXDYDNUSA-N 2 1 350.466 4.091 20 0 FIADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437083789 1099589617 /nfs/dbraw/zinc/58/96/17/1099589617.db2.gz JDDREDCXJUCMKR-MANSERQUSA-N 2 1 354.460 4.464 20 0 FIADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000261638409 1099628827 /nfs/dbraw/zinc/62/88/27/1099628827.db2.gz AAIOGQSUSDHMKN-INIZCTEOSA-N 2 1 359.311 4.157 20 0 FIADMP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000262629019 1099725810 /nfs/dbraw/zinc/72/58/10/1099725810.db2.gz GPUSRTCGZZSDQK-UTKZUKDTSA-N 2 1 351.494 4.008 20 0 FIADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693250 1099826217 /nfs/dbraw/zinc/82/62/17/1099826217.db2.gz CQOQVFOKGYJMOR-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693250 1099826223 /nfs/dbraw/zinc/82/62/23/1099826223.db2.gz CQOQVFOKGYJMOR-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693250 1099826237 /nfs/dbraw/zinc/82/62/37/1099826237.db2.gz CQOQVFOKGYJMOR-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693250 1099826249 /nfs/dbraw/zinc/82/62/49/1099826249.db2.gz CQOQVFOKGYJMOR-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693250 1099826262 /nfs/dbraw/zinc/82/62/62/1099826262.db2.gz CQOQVFOKGYJMOR-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698487 1099832057 /nfs/dbraw/zinc/83/20/57/1099832057.db2.gz OPJHTDOSPOBOBW-KNQAVFIVSA-N 2 1 352.522 4.046 20 0 FIADMP C[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714127 1099883684 /nfs/dbraw/zinc/88/36/84/1099883684.db2.gz URYPLNOZYSXPLR-GHTZIAJQSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713938 1099886067 /nfs/dbraw/zinc/88/60/67/1099886067.db2.gz AQHMRHPIGYHDDE-YLJYHZDGSA-N 2 1 374.475 4.331 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709952 1099899533 /nfs/dbraw/zinc/89/95/33/1099899533.db2.gz KMABGVMTWSFDSH-KNQAVFIVSA-N 2 1 351.538 4.379 20 0 FIADMP Fc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1F ZINC000516969981 1099962047 /nfs/dbraw/zinc/96/20/47/1099962047.db2.gz PQMHJKFQBOASSU-LJQANCHMSA-N 2 1 356.460 4.294 20 0 FIADMP Fc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1F ZINC000516969981 1099962048 /nfs/dbraw/zinc/96/20/48/1099962048.db2.gz PQMHJKFQBOASSU-LJQANCHMSA-N 2 1 356.460 4.294 20 0 FIADMP COc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCCCC2)cc1OC ZINC000459419001 1100125478 /nfs/dbraw/zinc/12/54/78/1100125478.db2.gz WTPUDPWBSLRKAN-UHFFFAOYSA-N 2 1 372.553 4.122 20 0 FIADMP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000536659745 1100130191 /nfs/dbraw/zinc/13/01/91/1100130191.db2.gz VCEKZNWGDZBVRC-INIZCTEOSA-N 2 1 360.448 4.359 20 0 FIADMP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000536659745 1100130200 /nfs/dbraw/zinc/13/02/00/1100130200.db2.gz VCEKZNWGDZBVRC-INIZCTEOSA-N 2 1 360.448 4.359 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000536664485 1100135750 /nfs/dbraw/zinc/13/57/50/1100135750.db2.gz FJIIBEWNFLEUIP-FQEVSTJZSA-N 2 1 370.585 4.158 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664460 1100136638 /nfs/dbraw/zinc/13/66/38/1100136638.db2.gz CWBMIDQTPNLZPK-FQEVSTJZSA-N 2 1 353.510 4.346 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664460 1100136650 /nfs/dbraw/zinc/13/66/50/1100136650.db2.gz CWBMIDQTPNLZPK-FQEVSTJZSA-N 2 1 353.510 4.346 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664460 1100136660 /nfs/dbraw/zinc/13/66/60/1100136660.db2.gz CWBMIDQTPNLZPK-FQEVSTJZSA-N 2 1 353.510 4.346 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664460 1100136674 /nfs/dbraw/zinc/13/66/74/1100136674.db2.gz CWBMIDQTPNLZPK-FQEVSTJZSA-N 2 1 353.510 4.346 20 0 FIADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(Cl)c1O ZINC000459422435 1100153374 /nfs/dbraw/zinc/15/33/74/1100153374.db2.gz IBIXZXSETIAOAO-UHFFFAOYSA-N 2 1 366.933 4.331 20 0 FIADMP CCCn1ccnc1CCC[N@@H+](C)Cc1nc2ccccc2n1CCC ZINC000517228727 1100205173 /nfs/dbraw/zinc/20/51/73/1100205173.db2.gz XRHXIZRBFWGESB-UHFFFAOYSA-N 2 1 353.514 4.117 20 0 FIADMP CCCn1ccnc1CCCN(C)Cc1nc2ccccc2n1CCC ZINC000517228727 1100205175 /nfs/dbraw/zinc/20/51/75/1100205175.db2.gz XRHXIZRBFWGESB-UHFFFAOYSA-N 2 1 353.514 4.117 20 0 FIADMP C[N@@H+](CCCOc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536713039 1100213649 /nfs/dbraw/zinc/21/36/49/1100213649.db2.gz CZFVRJMSLVLAER-UHFFFAOYSA-N 2 1 353.510 4.089 20 0 FIADMP CCN1CCC[C@@H](C[N@@H+](C)CCc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000459487231 1100221465 /nfs/dbraw/zinc/22/14/65/1100221465.db2.gz LTYLZJGIOUXKAJ-GHTZIAJQSA-N 2 1 374.960 4.021 20 0 FIADMP CC[N@H+](Cc1cccc(COC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536708663 1100226487 /nfs/dbraw/zinc/22/64/87/1100226487.db2.gz LZGMJIAPVFEFMJ-QHCPKHFHSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1cccc(COC)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536708663 1100226495 /nfs/dbraw/zinc/22/64/95/1100226495.db2.gz LZGMJIAPVFEFMJ-QHCPKHFHSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1cccc(COC)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536708663 1100226500 /nfs/dbraw/zinc/22/65/00/1100226500.db2.gz LZGMJIAPVFEFMJ-QHCPKHFHSA-N 2 1 352.522 4.177 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1)CC1CC1 ZINC000536737688 1100262377 /nfs/dbraw/zinc/26/23/77/1100262377.db2.gz QTEQYSMCFHUEET-MRXNPFEDSA-N 2 1 365.587 4.185 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1)CC1CC1 ZINC000536737688 1100262381 /nfs/dbraw/zinc/26/23/81/1100262381.db2.gz QTEQYSMCFHUEET-MRXNPFEDSA-N 2 1 365.587 4.185 20 0 FIADMP Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459568950 1100316569 /nfs/dbraw/zinc/31/65/69/1100316569.db2.gz LFFGAYAFHLMQCF-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459568950 1100316583 /nfs/dbraw/zinc/31/65/83/1100316583.db2.gz LFFGAYAFHLMQCF-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc([S@](C)=O)cc1 ZINC000536824694 1100341167 /nfs/dbraw/zinc/34/11/67/1100341167.db2.gz DMHIWWIVNWJHHZ-FSXKIHRRSA-N 2 1 362.583 4.118 20 0 FIADMP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536834242 1100344525 /nfs/dbraw/zinc/34/45/25/1100344525.db2.gz UGFTZGCBFVHAQB-WZONZLPQSA-N 2 1 368.521 4.025 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000536841810 1100354784 /nfs/dbraw/zinc/35/47/84/1100354784.db2.gz UMINIMSSUQDSKW-XXBNENTESA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000536841810 1100354792 /nfs/dbraw/zinc/35/47/92/1100354792.db2.gz UMINIMSSUQDSKW-XXBNENTESA-N 2 1 374.532 4.230 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000536832185 1100369536 /nfs/dbraw/zinc/36/95/36/1100369536.db2.gz JGGQCENSMBVFIJ-RTWAWAEBSA-N 2 1 362.533 4.016 20 0 FIADMP CC(C)Oc1c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc(F)c1F ZINC001280194813 1100408968 /nfs/dbraw/zinc/40/89/68/1100408968.db2.gz AAAOGEBXUBBDCM-UHFFFAOYSA-N 2 1 352.469 4.060 20 0 FIADMP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000517557168 1100482430 /nfs/dbraw/zinc/48/24/30/1100482430.db2.gz ZSKXHAIZMBTEFI-UHFFFAOYSA-N 2 1 371.500 4.093 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000426030773 1100697390 /nfs/dbraw/zinc/69/73/90/1100697390.db2.gz PJSLDJRBDRIVKK-AVCGJXAMSA-N 2 1 364.533 4.053 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000426030773 1100697393 /nfs/dbraw/zinc/69/73/93/1100697393.db2.gz PJSLDJRBDRIVKK-AVCGJXAMSA-N 2 1 364.533 4.053 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC000426062576 1100754896 /nfs/dbraw/zinc/75/48/96/1100754896.db2.gz XZCGMDFJLSWASW-OXJNMPFZSA-N 2 1 361.489 4.397 20 0 FIADMP Cc1cnn(-c2cc[nH+]cc2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000518236809 1101036023 /nfs/dbraw/zinc/03/60/23/1101036023.db2.gz ZSYDPMBQPJPBAP-QUCCMNQESA-N 2 1 361.493 4.041 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000518267988 1101051889 /nfs/dbraw/zinc/05/18/89/1101051889.db2.gz YWCNUUXMEPKTRK-MRXNPFEDSA-N 2 1 368.949 4.349 20 0 FIADMP CC(C)COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000518277620 1101061533 /nfs/dbraw/zinc/06/15/33/1101061533.db2.gz ZATHUHSRXURPDK-QHCPKHFHSA-N 2 1 366.549 4.376 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOCCc2ccccc2)C1 ZINC000506474788 1101110702 /nfs/dbraw/zinc/11/07/02/1101110702.db2.gz PPFKYGICIASALG-GGAORHGYSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000506474788 1101110706 /nfs/dbraw/zinc/11/07/06/1101110706.db2.gz PPFKYGICIASALG-GGAORHGYSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000506474788 1101110709 /nfs/dbraw/zinc/11/07/09/1101110709.db2.gz PPFKYGICIASALG-GGAORHGYSA-N 2 1 358.570 4.222 20 0 FIADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccc(Cl)cc12 ZINC001167964210 1101261940 /nfs/dbraw/zinc/26/19/40/1101261940.db2.gz NUAIIMFFBOFDIX-DFNIBXOVSA-N 2 1 357.929 4.374 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000426345731 1101322040 /nfs/dbraw/zinc/32/20/40/1101322040.db2.gz NCDAAWIKHKPSAK-HRAATJIYSA-N 2 1 356.535 4.005 20 0 FIADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OCc1cccs1 ZINC000459734883 1101351147 /nfs/dbraw/zinc/35/11/47/1101351147.db2.gz OSYXXMTZBUTOKE-QGZVFWFLSA-N 2 1 374.550 4.157 20 0 FIADMP Cc1nccn1CCC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475738910 1101540521 /nfs/dbraw/zinc/54/05/21/1101540521.db2.gz SDVDDHRKXRCARW-UHFFFAOYSA-N 2 1 362.315 4.256 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475738910 1101540529 /nfs/dbraw/zinc/54/05/29/1101540529.db2.gz SDVDDHRKXRCARW-UHFFFAOYSA-N 2 1 362.315 4.256 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475738910 1101540540 /nfs/dbraw/zinc/54/05/40/1101540540.db2.gz SDVDDHRKXRCARW-UHFFFAOYSA-N 2 1 362.315 4.256 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000537344632 1101679146 /nfs/dbraw/zinc/67/91/46/1101679146.db2.gz GJNDHQQTFXOWCS-UHFFFAOYSA-N 2 1 372.516 4.199 20 0 FIADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000537355707 1101691003 /nfs/dbraw/zinc/69/10/03/1101691003.db2.gz AXWRGEDXWCASDF-DYXWJJEUSA-N 2 1 352.522 4.130 20 0 FIADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000648452088 1101729519 /nfs/dbraw/zinc/72/95/19/1101729519.db2.gz FOTSNJWDUCBSPK-UIFIKXQLSA-N 2 1 362.945 4.209 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996901 1101958469 /nfs/dbraw/zinc/95/84/69/1101958469.db2.gz SXEYZULUSUOOGX-FIKGOQFSSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996901 1101958473 /nfs/dbraw/zinc/95/84/73/1101958473.db2.gz SXEYZULUSUOOGX-FIKGOQFSSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168183352 1102088095 /nfs/dbraw/zinc/08/80/95/1102088095.db2.gz PRBVIPKZWMSDIA-APWZRJJASA-N 2 1 364.961 4.283 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897970031 1102151502 /nfs/dbraw/zinc/15/15/02/1102151502.db2.gz DMGNSTWDAONRAA-JMRVHWFYSA-N 2 1 354.538 4.292 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897970031 1102151507 /nfs/dbraw/zinc/15/15/07/1102151507.db2.gz DMGNSTWDAONRAA-JMRVHWFYSA-N 2 1 354.538 4.292 20 0 FIADMP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783437 1102295050 /nfs/dbraw/zinc/29/50/50/1102295050.db2.gz ZXDJQUTWBRFZLD-VXKWHMMOSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783437 1102295059 /nfs/dbraw/zinc/29/50/59/1102295059.db2.gz ZXDJQUTWBRFZLD-VXKWHMMOSA-N 2 1 360.505 4.012 20 0 FIADMP c1ccc([C@@H](CC2CC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000532442339 1102330889 /nfs/dbraw/zinc/33/08/89/1102330889.db2.gz PYZMISXSXIQJGU-HSZRJFAPSA-N 2 1 350.506 4.150 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(CO)c1 ZINC000121224647 1102348834 /nfs/dbraw/zinc/34/88/34/1102348834.db2.gz GYZATURYCFVEKU-MOPGFXCFSA-N 2 1 352.522 4.262 20 0 FIADMP C[N@@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262030953 1102377780 /nfs/dbraw/zinc/37/77/80/1102377780.db2.gz XEOCRBWSMWPTQK-WCRBZPEASA-N 2 1 356.460 4.312 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000532524396 1102442924 /nfs/dbraw/zinc/44/29/24/1102442924.db2.gz FSFSHFVWLILMJS-RKVPGOIHSA-N 2 1 354.460 4.445 20 0 FIADMP CC1CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001168211350 1102473193 /nfs/dbraw/zinc/47/31/93/1102473193.db2.gz CUCGQOUXJHGXAA-LWZIIBGRSA-N 2 1 360.586 4.026 20 0 FIADMP CC1CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001168211350 1102473201 /nfs/dbraw/zinc/47/32/01/1102473201.db2.gz CUCGQOUXJHGXAA-LWZIIBGRSA-N 2 1 360.586 4.026 20 0 FIADMP CC1CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001168211350 1102473204 /nfs/dbraw/zinc/47/32/04/1102473204.db2.gz CUCGQOUXJHGXAA-LWZIIBGRSA-N 2 1 360.586 4.026 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000121907133 1102482868 /nfs/dbraw/zinc/48/28/68/1102482868.db2.gz RUFVWCVFWIMFPT-QFIPXVFZSA-N 2 1 373.585 4.031 20 0 FIADMP c1cn(-c2ccc(C[N@H+](Cc3ccccc3)CC3CCOCC3)cc2)cn1 ZINC000111261408 1102497441 /nfs/dbraw/zinc/49/74/41/1102497441.db2.gz GKSDNDQBEOFGPL-UHFFFAOYSA-N 2 1 361.489 4.301 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000550881723 1102652933 /nfs/dbraw/zinc/65/29/33/1102652933.db2.gz BFOHWTZCDGSBII-WBMJQRKESA-N 2 1 373.766 4.310 20 0 FIADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886444 1102658301 /nfs/dbraw/zinc/65/83/01/1102658301.db2.gz PDTVVMMAYCVIDK-XPWALMASSA-N 2 1 370.581 4.330 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccn1 ZINC000550886011 1102658592 /nfs/dbraw/zinc/65/85/92/1102658592.db2.gz AWFJFXYFTZUTET-ROUUACIJSA-N 2 1 353.510 4.315 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000537648616 1102666398 /nfs/dbraw/zinc/66/63/98/1102666398.db2.gz QIZMVXOQDDYLKD-GOSISDBHSA-N 2 1 374.960 4.306 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000537648616 1102666404 /nfs/dbraw/zinc/66/64/04/1102666404.db2.gz QIZMVXOQDDYLKD-GOSISDBHSA-N 2 1 374.960 4.306 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000127396177 1102726387 /nfs/dbraw/zinc/72/63/87/1102726387.db2.gz ADJHRTJKMGJBMN-MJGOQNOKSA-N 2 1 368.443 4.025 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000127396177 1102726395 /nfs/dbraw/zinc/72/63/95/1102726395.db2.gz ADJHRTJKMGJBMN-MJGOQNOKSA-N 2 1 368.443 4.025 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(C2CC2)c1 ZINC000550999697 1102757056 /nfs/dbraw/zinc/75/70/56/1102757056.db2.gz UBJVMZNMTSWZFK-SFHVURJKSA-N 2 1 350.506 4.247 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000045 1102764016 /nfs/dbraw/zinc/76/40/16/1102764016.db2.gz HKNNDUXQPLBFJT-STZQEDGTSA-N 2 1 371.956 4.368 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000045 1102764030 /nfs/dbraw/zinc/76/40/30/1102764030.db2.gz HKNNDUXQPLBFJT-STZQEDGTSA-N 2 1 371.956 4.368 20 0 FIADMP CC[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660320 1102784496 /nfs/dbraw/zinc/78/44/96/1102784496.db2.gz CNCSFDFPLCPDBX-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660320 1102784504 /nfs/dbraw/zinc/78/45/04/1102784504.db2.gz CNCSFDFPLCPDBX-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660320 1102784510 /nfs/dbraw/zinc/78/45/10/1102784510.db2.gz CNCSFDFPLCPDBX-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](c2ccccc2)[C@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551013969 1102789664 /nfs/dbraw/zinc/78/96/64/1102789664.db2.gz NOGVGHSMPQAJKQ-WBADGQHESA-N 2 1 350.506 4.332 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551013969 1102789676 /nfs/dbraw/zinc/78/96/76/1102789676.db2.gz NOGVGHSMPQAJKQ-WBADGQHESA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551013969 1102789689 /nfs/dbraw/zinc/78/96/89/1102789689.db2.gz NOGVGHSMPQAJKQ-WBADGQHESA-N 2 1 350.506 4.332 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551029729 1102808806 /nfs/dbraw/zinc/80/88/06/1102808806.db2.gz PYRFMRZCDBYEPZ-YYWHXJBOSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000551029729 1102808826 /nfs/dbraw/zinc/80/88/26/1102808826.db2.gz PYRFMRZCDBYEPZ-YYWHXJBOSA-N 2 1 368.521 4.060 20 0 FIADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034749 1102823457 /nfs/dbraw/zinc/82/34/57/1102823457.db2.gz ONDWSQHSIROEJV-AGILITTLSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034749 1102823466 /nfs/dbraw/zinc/82/34/66/1102823466.db2.gz ONDWSQHSIROEJV-AGILITTLSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034749 1102823480 /nfs/dbraw/zinc/82/34/80/1102823480.db2.gz ONDWSQHSIROEJV-AGILITTLSA-N 2 1 365.565 4.322 20 0 FIADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000459358597 1102912402 /nfs/dbraw/zinc/91/24/02/1102912402.db2.gz BKTSKKLISONWFQ-SNXGKTBFSA-N 2 1 362.517 4.353 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000506862066 1102924612 /nfs/dbraw/zinc/92/46/12/1102924612.db2.gz OGSAXKSTHYOKRH-UHFFFAOYSA-N 2 1 354.542 4.329 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000551174505 1102948246 /nfs/dbraw/zinc/94/82/46/1102948246.db2.gz CXTJJYSDAPWWDG-BXXSPATCSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000551174505 1102948248 /nfs/dbraw/zinc/94/82/48/1102948248.db2.gz CXTJJYSDAPWWDG-BXXSPATCSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000551175544 1102948747 /nfs/dbraw/zinc/94/87/47/1102948747.db2.gz MMVBRADKWKBQMX-AFXVXQJMSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000551175544 1102948749 /nfs/dbraw/zinc/94/87/49/1102948749.db2.gz MMVBRADKWKBQMX-AFXVXQJMSA-N 2 1 350.506 4.332 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551196413 1102974884 /nfs/dbraw/zinc/97/48/84/1102974884.db2.gz AIJRLKRRIFOTDT-OIBXWCBGSA-N 2 1 352.522 4.407 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551196413 1102974885 /nfs/dbraw/zinc/97/48/85/1102974885.db2.gz AIJRLKRRIFOTDT-OIBXWCBGSA-N 2 1 352.522 4.407 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265619 1103023807 /nfs/dbraw/zinc/02/38/07/1103023807.db2.gz WZSJKWBFFVXCFF-VABKMULXSA-N 2 1 368.565 4.084 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265309 1103025041 /nfs/dbraw/zinc/02/50/41/1103025041.db2.gz SRJUMNYDZMWURH-TZIWHRDSSA-N 2 1 368.521 4.167 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265309 1103025058 /nfs/dbraw/zinc/02/50/58/1103025058.db2.gz SRJUMNYDZMWURH-TZIWHRDSSA-N 2 1 368.521 4.167 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCS2 ZINC000467407199 1103038734 /nfs/dbraw/zinc/03/87/34/1103038734.db2.gz MSCJPEYANHCYIN-NRFANRHFSA-N 2 1 368.546 4.270 20 0 FIADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000551316880 1103072699 /nfs/dbraw/zinc/07/26/99/1103072699.db2.gz NVQNQYWHZUNPAX-LTKAXEJJSA-N 2 1 366.549 4.011 20 0 FIADMP COCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746442 1103161050 /nfs/dbraw/zinc/16/10/50/1103161050.db2.gz GAMNZIWAHKWLRQ-WMZHIEFXSA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746442 1103161053 /nfs/dbraw/zinc/16/10/53/1103161053.db2.gz GAMNZIWAHKWLRQ-WMZHIEFXSA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746442 1103161059 /nfs/dbraw/zinc/16/10/59/1103161059.db2.gz GAMNZIWAHKWLRQ-WMZHIEFXSA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746442 1103161064 /nfs/dbraw/zinc/16/10/64/1103161064.db2.gz GAMNZIWAHKWLRQ-WMZHIEFXSA-N 2 1 352.522 4.318 20 0 FIADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650666 1103308581 /nfs/dbraw/zinc/30/85/81/1103308581.db2.gz CMPJZFCDBDQCAE-KQLYMOGASA-N 2 1 353.510 4.180 20 0 FIADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000507464020 1103410372 /nfs/dbraw/zinc/41/03/72/1103410372.db2.gz WAZISVKBHFEFDX-CEXWTWQISA-N 2 1 367.537 4.104 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC2)cc1 ZINC000507519400 1103443512 /nfs/dbraw/zinc/44/35/12/1103443512.db2.gz IEXYWXKDJFBEKV-WTIAFYNJSA-N 2 1 362.517 4.185 20 0 FIADMP CC[C@](C)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nccs1 ZINC000152642093 1103592202 /nfs/dbraw/zinc/59/22/02/1103592202.db2.gz OKFPZNDPBYPMJK-FQEVSTJZSA-N 2 1 359.539 4.033 20 0 FIADMP Clc1cc(Cl)c(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246829225 1103714473 /nfs/dbraw/zinc/71/44/73/1103714473.db2.gz QEFOKVMJPRCDIC-STQMWFEESA-N 2 1 363.716 4.242 20 0 FIADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000312010631 1103831876 /nfs/dbraw/zinc/83/18/76/1103831876.db2.gz RSYITHVEBYTHCC-AUSIDOKSSA-N 2 1 350.506 4.271 20 0 FIADMP COC(=O)c1coc([C@H](C)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000519787707 1103871004 /nfs/dbraw/zinc/87/10/04/1103871004.db2.gz CXVQTGGHIQGYMU-HKUYNNGSSA-N 2 1 370.493 4.019 20 0 FIADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354846 1104294410 /nfs/dbraw/zinc/29/44/10/1104294410.db2.gz NRNSSGWXTYFLBL-JOCHJYFZSA-N 2 1 365.521 4.245 20 0 FIADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354846 1104294420 /nfs/dbraw/zinc/29/44/20/1104294420.db2.gz NRNSSGWXTYFLBL-JOCHJYFZSA-N 2 1 365.521 4.245 20 0 FIADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354846 1104294430 /nfs/dbraw/zinc/29/44/30/1104294430.db2.gz NRNSSGWXTYFLBL-JOCHJYFZSA-N 2 1 365.521 4.245 20 0 FIADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354846 1104294440 /nfs/dbraw/zinc/29/44/40/1104294440.db2.gz NRNSSGWXTYFLBL-JOCHJYFZSA-N 2 1 365.521 4.245 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000112517456 1104373362 /nfs/dbraw/zinc/37/33/62/1104373362.db2.gz MDCORCAYTLUTTC-MRXNPFEDSA-N 2 1 374.912 4.032 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000112517337 1104374061 /nfs/dbraw/zinc/37/40/61/1104374061.db2.gz OCERVABGXYWJPC-MRXNPFEDSA-N 2 1 374.912 4.032 20 0 FIADMP C[N@@H+](Cc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167992673 1104412004 /nfs/dbraw/zinc/41/20/04/1104412004.db2.gz JKMVSRFJZSHFMO-DFNIBXOVSA-N 2 1 363.343 4.286 20 0 FIADMP C[NH+](Cc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167992673 1104412011 /nfs/dbraw/zinc/41/20/11/1104412011.db2.gz JKMVSRFJZSHFMO-DFNIBXOVSA-N 2 1 363.343 4.286 20 0 FIADMP C[NH+](Cc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167992673 1104412021 /nfs/dbraw/zinc/41/20/21/1104412021.db2.gz JKMVSRFJZSHFMO-DFNIBXOVSA-N 2 1 363.343 4.286 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781704 1105006648 /nfs/dbraw/zinc/00/66/48/1105006648.db2.gz ZGCNEIQIRGUZQM-YMPZKCBVSA-N 2 1 368.496 4.176 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781704 1105006655 /nfs/dbraw/zinc/00/66/55/1105006655.db2.gz ZGCNEIQIRGUZQM-YMPZKCBVSA-N 2 1 368.496 4.176 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781702 1105007109 /nfs/dbraw/zinc/00/71/09/1105007109.db2.gz ZGCNEIQIRGUZQM-PUHATCMVSA-N 2 1 368.496 4.176 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781702 1105007115 /nfs/dbraw/zinc/00/71/15/1105007115.db2.gz ZGCNEIQIRGUZQM-PUHATCMVSA-N 2 1 368.496 4.176 20 0 FIADMP CC[NH+]1CCC(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001168004361 1105031769 /nfs/dbraw/zinc/03/17/69/1105031769.db2.gz UWMJDGZJBADQQS-VSGJHWFKSA-N 3 1 373.629 4.226 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404418 1105086825 /nfs/dbraw/zinc/08/68/25/1105086825.db2.gz VEFFDCGSLILGOV-UYAOXDASSA-N 2 1 350.506 4.401 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404418 1105086830 /nfs/dbraw/zinc/08/68/30/1105086830.db2.gz VEFFDCGSLILGOV-UYAOXDASSA-N 2 1 350.506 4.401 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404312 1105087395 /nfs/dbraw/zinc/08/73/95/1105087395.db2.gz VEFFDCGSLILGOV-AZUAARDMSA-N 2 1 350.506 4.401 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404312 1105087402 /nfs/dbraw/zinc/08/74/02/1105087402.db2.gz VEFFDCGSLILGOV-AZUAARDMSA-N 2 1 350.506 4.401 20 0 FIADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406698 1105087905 /nfs/dbraw/zinc/08/79/05/1105087905.db2.gz AIKTVXSDKUICLE-ZWKOTPCHSA-N 2 1 350.506 4.497 20 0 FIADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccc(Br)c1 ZINC000247133789 1105091154 /nfs/dbraw/zinc/09/11/54/1105091154.db2.gz XAEDLBHPNVTFNA-SNRMKQJTSA-N 2 1 365.359 4.234 20 0 FIADMP CCc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000536487188 1105167245 /nfs/dbraw/zinc/16/72/45/1105167245.db2.gz WKNWWRYYCIGFNT-UHFFFAOYSA-N 2 1 355.551 4.194 20 0 FIADMP CCc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000536487188 1105167248 /nfs/dbraw/zinc/16/72/48/1105167248.db2.gz WKNWWRYYCIGFNT-UHFFFAOYSA-N 2 1 355.551 4.194 20 0 FIADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000507809874 1105175717 /nfs/dbraw/zinc/17/57/17/1105175717.db2.gz FQEQHJPFZFDARW-SSGKUCQKSA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809874 1105175722 /nfs/dbraw/zinc/17/57/22/1105175722.db2.gz FQEQHJPFZFDARW-SSGKUCQKSA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809874 1105175726 /nfs/dbraw/zinc/17/57/26/1105175726.db2.gz FQEQHJPFZFDARW-SSGKUCQKSA-N 2 1 356.554 4.178 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000427868047 1105303699 /nfs/dbraw/zinc/30/36/99/1105303699.db2.gz VUAFITZFRVBWOS-PCCBWWKXSA-N 2 1 367.562 4.194 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000530358436 1106983765 /nfs/dbraw/zinc/98/37/65/1106983765.db2.gz CMCGPAVKNTURFT-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000530358436 1106983771 /nfs/dbraw/zinc/98/37/71/1106983771.db2.gz CMCGPAVKNTURFT-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358436 1106983773 /nfs/dbraw/zinc/98/37/73/1106983773.db2.gz CMCGPAVKNTURFT-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358436 1106983776 /nfs/dbraw/zinc/98/37/76/1106983776.db2.gz CMCGPAVKNTURFT-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301468921 1107040111 /nfs/dbraw/zinc/04/01/11/1107040111.db2.gz NPTWCYFFBFVFAH-CQSZACIVSA-N 2 1 362.315 4.165 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301468921 1107040125 /nfs/dbraw/zinc/04/01/25/1107040125.db2.gz NPTWCYFFBFVFAH-CQSZACIVSA-N 2 1 362.315 4.165 20 0 FIADMP C[C@H]([NH2+]CCc1ccccc1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530513406 1107105402 /nfs/dbraw/zinc/10/54/02/1107105402.db2.gz WAZSFDIVKLHGFQ-PXNSSMCTSA-N 2 1 374.475 4.331 20 0 FIADMP CCc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ccccc2[nH+]1 ZINC000301787960 1107151290 /nfs/dbraw/zinc/15/12/90/1107151290.db2.gz LZPWSNQPEFZZFR-UHFFFAOYSA-N 2 1 361.493 4.285 20 0 FIADMP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000302051954 1107276590 /nfs/dbraw/zinc/27/65/90/1107276590.db2.gz ONALLALQQQHYDZ-SFHVURJKSA-N 2 1 367.880 4.067 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000302051954 1107276601 /nfs/dbraw/zinc/27/66/01/1107276601.db2.gz ONALLALQQQHYDZ-SFHVURJKSA-N 2 1 367.880 4.067 20 0 FIADMP Cc1[nH+]c2ccccc2c(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C ZINC000302164396 1107324107 /nfs/dbraw/zinc/32/41/07/1107324107.db2.gz OOVKHIGIIWHRPE-HXUWFJFHSA-N 2 1 361.489 4.030 20 0 FIADMP C[C@@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655717884 1107573981 /nfs/dbraw/zinc/57/39/81/1107573981.db2.gz FKRRWTIMIZJRGO-KXBFYZLASA-N 2 1 370.459 4.042 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)s2)cc1 ZINC000152455142 1107719272 /nfs/dbraw/zinc/71/92/72/1107719272.db2.gz RVWISXDVBIFTQH-GDBMZVCRSA-N 2 1 371.550 4.262 20 0 FIADMP CCc1nc(C)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366706 1107898806 /nfs/dbraw/zinc/89/88/06/1107898806.db2.gz YWLBLOUMVNMRIY-VQTJNVASSA-N 2 1 353.510 4.032 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC000444658088 1108052487 /nfs/dbraw/zinc/05/24/87/1108052487.db2.gz AFYCSLINWWBDRQ-NJDAHSKKSA-N 2 1 356.535 4.099 20 0 FIADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000531677337 1108063587 /nfs/dbraw/zinc/06/35/87/1108063587.db2.gz PVDPEYQMUTUHLZ-ZIAGYGMSSA-N 2 1 369.987 4.102 20 0 FIADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000531677390 1108064488 /nfs/dbraw/zinc/06/44/88/1108064488.db2.gz OCIYHSGOAHATMP-IBGZPJMESA-N 2 1 352.522 4.493 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676969 1108066636 /nfs/dbraw/zinc/06/66/36/1108066636.db2.gz CQNCXISCQPYXNU-DYESRHJHSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676969 1108066651 /nfs/dbraw/zinc/06/66/51/1108066651.db2.gz CQNCXISCQPYXNU-DYESRHJHSA-N 2 1 374.475 4.331 20 0 FIADMP Cn1nccc1-c1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508504548 1108066476 /nfs/dbraw/zinc/06/64/76/1108066476.db2.gz NASUXRGCXLCIAG-NRFANRHFSA-N 2 1 374.532 4.041 20 0 FIADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508504548 1108066492 /nfs/dbraw/zinc/06/64/92/1108066492.db2.gz NASUXRGCXLCIAG-NRFANRHFSA-N 2 1 374.532 4.041 20 0 FIADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508504548 1108066506 /nfs/dbraw/zinc/06/65/06/1108066506.db2.gz NASUXRGCXLCIAG-NRFANRHFSA-N 2 1 374.532 4.041 20 0 FIADMP CC(C[NH+]1CC[C@@H](CC(F)(F)F)C1)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444714762 1108087243 /nfs/dbraw/zinc/08/72/43/1108087243.db2.gz KSZILCIPCHAYBN-KBPBESRZSA-N 2 1 360.386 4.171 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692700 1108097753 /nfs/dbraw/zinc/09/77/53/1108097753.db2.gz VUNSVBBOLJTPGQ-MONBJTKQSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692700 1108097770 /nfs/dbraw/zinc/09/77/70/1108097770.db2.gz VUNSVBBOLJTPGQ-MONBJTKQSA-N 2 1 368.521 4.060 20 0 FIADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531725758 1108098811 /nfs/dbraw/zinc/09/88/11/1108098811.db2.gz BVGTZUNCEDYKDZ-ZWKOTPCHSA-N 2 1 365.521 4.133 20 0 FIADMP CCn1ccnc1[C@@H](C)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000453057477 1108132772 /nfs/dbraw/zinc/13/27/72/1108132772.db2.gz FJPYGPUODICHNJ-CEXWTWQISA-N 2 1 354.542 4.232 20 0 FIADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000453057477 1108132780 /nfs/dbraw/zinc/13/27/80/1108132780.db2.gz FJPYGPUODICHNJ-CEXWTWQISA-N 2 1 354.542 4.232 20 0 FIADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000453057477 1108132788 /nfs/dbraw/zinc/13/27/88/1108132788.db2.gz FJPYGPUODICHNJ-CEXWTWQISA-N 2 1 354.542 4.232 20 0 FIADMP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000453085565 1108156609 /nfs/dbraw/zinc/15/66/09/1108156609.db2.gz OIOJNASASZDVEK-FQEVSTJZSA-N 2 1 351.538 4.090 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2sccc21 ZINC000453101478 1108169324 /nfs/dbraw/zinc/16/93/24/1108169324.db2.gz YFIOUFINVYZKQV-OXQOHEQNSA-N 2 1 356.535 4.309 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000523449042 1108231556 /nfs/dbraw/zinc/23/15/56/1108231556.db2.gz VCBDVQUFHACGBB-KRWDZBQOSA-N 2 1 356.432 4.035 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000523449042 1108231570 /nfs/dbraw/zinc/23/15/70/1108231570.db2.gz VCBDVQUFHACGBB-KRWDZBQOSA-N 2 1 356.432 4.035 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453194819 1108263804 /nfs/dbraw/zinc/26/38/04/1108263804.db2.gz IGLUSVHWENVHJE-ZRCGQRJVSA-N 2 1 351.538 4.293 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218069 1108288633 /nfs/dbraw/zinc/28/86/33/1108288633.db2.gz GGPWCKDXEUDOFC-XZOQPEGZSA-N 2 1 368.565 4.084 20 0 FIADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncn1 ZINC000453231308 1108304252 /nfs/dbraw/zinc/30/42/52/1108304252.db2.gz XTVHCCYALQEPPH-MXPIYFSTSA-N 2 1 370.928 4.395 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC4(CCC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453331657 1108387356 /nfs/dbraw/zinc/38/73/56/1108387356.db2.gz ZQCFLUHLEUHZHB-BXXSPATCSA-N 2 1 368.565 4.369 20 0 FIADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H](C)c3cc(C)c(C)o3)CC2)cc1 ZINC000453324995 1108417811 /nfs/dbraw/zinc/41/78/11/1108417811.db2.gz LWODFPSWSITCAN-INIZCTEOSA-N 2 1 369.509 4.170 20 0 FIADMP COc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1OC ZINC000531955843 1108443024 /nfs/dbraw/zinc/44/30/24/1108443024.db2.gz BPKPBHTUONNKEC-MRXNPFEDSA-N 2 1 365.477 4.091 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@]4(CCSC4)C2)C3)cc1 ZINC000453353450 1108453023 /nfs/dbraw/zinc/45/30/23/1108453023.db2.gz JEPVYILWXPZJAY-CBPXPLCBSA-N 2 1 356.579 4.401 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000531973154 1108484896 /nfs/dbraw/zinc/48/48/96/1108484896.db2.gz WYEDFUKCTBSEMP-LJQANCHMSA-N 3 1 354.542 4.488 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000531979223 1108495625 /nfs/dbraw/zinc/49/56/25/1108495625.db2.gz ZBQHZYLMKRBCMN-KJGCVMFHSA-N 2 1 358.448 4.181 20 0 FIADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000532227436 1108723748 /nfs/dbraw/zinc/72/37/48/1108723748.db2.gz NTAZOQYEWXNMSL-XMSQKQJNSA-N 2 1 356.485 4.050 20 0 FIADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000532227435 1108723988 /nfs/dbraw/zinc/72/39/88/1108723988.db2.gz NTAZOQYEWXNMSL-PGRDOPGGSA-N 2 1 356.485 4.050 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247903 1108725797 /nfs/dbraw/zinc/72/57/97/1108725797.db2.gz SRQAOQBITSWWSP-SKPFHBQLSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247903 1108725811 /nfs/dbraw/zinc/72/58/11/1108725811.db2.gz SRQAOQBITSWWSP-SKPFHBQLSA-N 2 1 374.532 4.434 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000524177137 1108885821 /nfs/dbraw/zinc/88/58/21/1108885821.db2.gz RIALHPQMSDKWFR-UHFFFAOYSA-N 2 1 373.585 4.016 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000524406882 1108993364 /nfs/dbraw/zinc/99/33/64/1108993364.db2.gz AVPURLAEJOWYCT-UHFFFAOYSA-N 2 1 367.537 4.275 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000459405791 1109013928 /nfs/dbraw/zinc/01/39/28/1109013928.db2.gz UHANVYHVTAYCRJ-INIZCTEOSA-N 2 1 357.807 4.376 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000524812103 1109161910 /nfs/dbraw/zinc/16/19/10/1109161910.db2.gz OMWYUTXFAYSGLR-KDURUIRLSA-N 2 1 352.522 4.161 20 0 FIADMP Cc1ccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCC2)cc1 ZINC000446844518 1109363338 /nfs/dbraw/zinc/36/33/38/1109363338.db2.gz UJQIKILWQGEJJG-JOCHJYFZSA-N 2 1 356.554 4.461 20 0 FIADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000446953344 1109397580 /nfs/dbraw/zinc/39/75/80/1109397580.db2.gz ZJCRBTWFCVGYMG-UHFFFAOYSA-N 2 1 371.550 4.090 20 0 FIADMP C[N@@H+](CC/C=C\c1ccc(Br)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525518128 1109410189 /nfs/dbraw/zinc/41/01/89/1109410189.db2.gz YSCXEGCPAHMOLH-SVEBXFOSSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C\c1ccc(Br)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525518128 1109410191 /nfs/dbraw/zinc/41/01/91/1109410191.db2.gz YSCXEGCPAHMOLH-SVEBXFOSSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C\c1ccc(Br)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525518128 1109410196 /nfs/dbraw/zinc/41/01/96/1109410196.db2.gz YSCXEGCPAHMOLH-SVEBXFOSSA-N 2 1 351.332 4.126 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000525779469 1109515924 /nfs/dbraw/zinc/51/59/24/1109515924.db2.gz RRDRXWIPBGAYKG-FPOVZHCZSA-N 2 1 351.538 4.001 20 0 FIADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2 ZINC000447510812 1109565686 /nfs/dbraw/zinc/56/56/86/1109565686.db2.gz JLZXYRHBTFZPLX-HNNXBMFYSA-N 2 1 362.514 4.041 20 0 FIADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000448033685 1109701722 /nfs/dbraw/zinc/70/17/22/1109701722.db2.gz YZBPZEGMJZRMKX-UHFFFAOYSA-N 2 1 368.569 4.350 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527640615 1109792121 /nfs/dbraw/zinc/79/21/21/1109792121.db2.gz NFRMZBWEYVBEBW-GOTSBHOMSA-N 2 1 357.586 4.110 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527860044 1109841942 /nfs/dbraw/zinc/84/19/42/1109841942.db2.gz UPELRDYGKOFPJQ-MNOVXSKESA-N 2 1 372.257 4.219 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc4ccoc43)CC2)CC1 ZINC000449035194 1109961476 /nfs/dbraw/zinc/96/14/76/1109961476.db2.gz GEQLREKYXNBFDX-UHFFFAOYSA-N 2 1 369.553 4.061 20 0 FIADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2ccoc21 ZINC000449035194 1109961478 /nfs/dbraw/zinc/96/14/78/1109961478.db2.gz GEQLREKYXNBFDX-UHFFFAOYSA-N 3 1 369.553 4.061 20 0 FIADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2ccoc21 ZINC000449035194 1109961479 /nfs/dbraw/zinc/96/14/79/1109961479.db2.gz GEQLREKYXNBFDX-UHFFFAOYSA-N 3 1 369.553 4.061 20 0 FIADMP Fc1cc(Br)ccc1C1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000449069839 1109972464 /nfs/dbraw/zinc/97/24/64/1109972464.db2.gz IRHPAMUZQDBAMX-UHFFFAOYSA-N 2 1 367.306 4.051 20 0 FIADMP CSCC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000449103444 1109976431 /nfs/dbraw/zinc/97/64/31/1109976431.db2.gz AUDJEMUFVLLCKK-ADKAHSJRSA-N 2 1 352.613 4.472 20 0 FIADMP CSCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000449103444 1109976433 /nfs/dbraw/zinc/97/64/33/1109976433.db2.gz AUDJEMUFVLLCKK-ADKAHSJRSA-N 2 1 352.613 4.472 20 0 FIADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000449119068 1109979931 /nfs/dbraw/zinc/97/99/31/1109979931.db2.gz WBVCLQLISODLPX-SFHVURJKSA-N 2 1 362.558 4.091 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c(OC)cccc23)[C@H](C)C1 ZINC000449137084 1109983944 /nfs/dbraw/zinc/98/39/44/1109983944.db2.gz DJJXNOLKXCRUQB-XMSQKQJNSA-N 2 1 370.537 4.075 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2C(F)(F)F)cc1 ZINC000528441727 1109994349 /nfs/dbraw/zinc/99/43/49/1109994349.db2.gz YMFLJCBLIRTDRK-CYBMUJFWSA-N 2 1 360.383 4.445 20 0 FIADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329523 1110027975 /nfs/dbraw/zinc/02/79/75/1110027975.db2.gz IIGSFDRMCZJDIG-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329523 1110027979 /nfs/dbraw/zinc/02/79/79/1110027979.db2.gz IIGSFDRMCZJDIG-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329523 1110027983 /nfs/dbraw/zinc/02/79/83/1110027983.db2.gz IIGSFDRMCZJDIG-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329523 1110027987 /nfs/dbraw/zinc/02/79/87/1110027987.db2.gz IIGSFDRMCZJDIG-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329523 1110027989 /nfs/dbraw/zinc/02/79/89/1110027989.db2.gz IIGSFDRMCZJDIG-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@@H+](Cc1ccnc2c(Br)cccc12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449318713 1110031952 /nfs/dbraw/zinc/03/19/52/1110031952.db2.gz DQCZLYIGHMRCAT-XYPWUTKMSA-N 2 1 374.326 4.054 20 0 FIADMP C[NH+](Cc1ccnc2c(Br)cccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449318713 1110031958 /nfs/dbraw/zinc/03/19/58/1110031958.db2.gz DQCZLYIGHMRCAT-XYPWUTKMSA-N 2 1 374.326 4.054 20 0 FIADMP C[NH+](Cc1ccnc2c(Br)cccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449318713 1110031961 /nfs/dbraw/zinc/03/19/61/1110031961.db2.gz DQCZLYIGHMRCAT-XYPWUTKMSA-N 2 1 374.326 4.054 20 0 FIADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449377723 1110051030 /nfs/dbraw/zinc/05/10/30/1110051030.db2.gz BNGUGOBWBCGSJO-XJKSGUPXSA-N 2 1 355.404 4.189 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449734543 1110158972 /nfs/dbraw/zinc/15/89/72/1110158972.db2.gz RUQLOLYVOFZSSY-XLIONFOSSA-N 2 1 350.934 4.067 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449792187 1110172815 /nfs/dbraw/zinc/17/28/15/1110172815.db2.gz SAYGUAWDPMTLEG-XLIONFOSSA-N 2 1 350.934 4.067 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000538446016 1111144010 /nfs/dbraw/zinc/14/40/10/1111144010.db2.gz NARAAJOZHDGWJS-UHFFFAOYSA-N 2 1 372.944 4.310 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538719283 1111260145 /nfs/dbraw/zinc/26/01/45/1111260145.db2.gz ZEENXFBADUDTOF-GOSISDBHSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538719283 1111260150 /nfs/dbraw/zinc/26/01/50/1111260150.db2.gz ZEENXFBADUDTOF-GOSISDBHSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000538796060 1111294271 /nfs/dbraw/zinc/29/42/71/1111294271.db2.gz MBHZYDRMTSGZPK-SAWYMBPVSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000538796060 1111294274 /nfs/dbraw/zinc/29/42/74/1111294274.db2.gz MBHZYDRMTSGZPK-SAWYMBPVSA-N 2 1 372.484 4.078 20 0 FIADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000461798065 1111359709 /nfs/dbraw/zinc/35/97/09/1111359709.db2.gz SZRQNIHBGAKDCO-KRWDZBQOSA-N 2 1 370.487 4.193 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccc3)[C@H]3CCOC3)CC2)cc1 ZINC000539036626 1111397636 /nfs/dbraw/zinc/39/76/36/1111397636.db2.gz INYKZZYOGXCFJX-JTHBVZDNSA-N 2 1 350.506 4.018 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000539037797 1111398275 /nfs/dbraw/zinc/39/82/75/1111398275.db2.gz SMIOCYQFEFUFDN-OYYPCOLYSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000539037797 1111398280 /nfs/dbraw/zinc/39/82/80/1111398280.db2.gz SMIOCYQFEFUFDN-OYYPCOLYSA-N 2 1 364.533 4.407 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000539047848 1111411619 /nfs/dbraw/zinc/41/16/19/1111411619.db2.gz XRMXTBQWHKNRRP-JKSUJKDBSA-N 2 1 368.949 4.376 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000539047848 1111411620 /nfs/dbraw/zinc/41/16/20/1111411620.db2.gz XRMXTBQWHKNRRP-JKSUJKDBSA-N 2 1 368.949 4.376 20 0 FIADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000539072431 1111419312 /nfs/dbraw/zinc/41/93/12/1111419312.db2.gz RMCHPOUSTDYFHY-OTWHNJEPSA-N 2 1 370.537 4.388 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000539075835 1111420963 /nfs/dbraw/zinc/42/09/63/1111420963.db2.gz MPEIJHVRAPDZOP-WMZHIEFXSA-N 2 1 354.538 4.109 20 0 FIADMP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000539090048 1111426784 /nfs/dbraw/zinc/42/67/84/1111426784.db2.gz YGHGQWVMJZZNRJ-YCRPNKLZSA-N 2 1 353.441 4.358 20 0 FIADMP CC(C)[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1 ZINC000539199944 1111469071 /nfs/dbraw/zinc/46/90/71/1111469071.db2.gz PRXXATQLIRCJSR-IBGZPJMESA-N 2 1 350.934 4.272 20 0 FIADMP CCCN1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000462037963 1111469666 /nfs/dbraw/zinc/46/96/66/1111469666.db2.gz JYVONCBJMZAVCD-UHFFFAOYSA-N 2 1 371.613 4.185 20 0 FIADMP CC[NH+]1CCC(Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000462070058 1111488096 /nfs/dbraw/zinc/48/80/96/1111488096.db2.gz VDNKNBWHMGWMDK-QHCPKHFHSA-N 2 1 373.585 4.362 20 0 FIADMP CC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000552062517 1111563040 /nfs/dbraw/zinc/56/30/40/1111563040.db2.gz ZZXNOASOXDEVDS-FDFHNCONSA-N 2 1 356.554 4.084 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)[C@H](C)C1 ZINC000477855784 1111579448 /nfs/dbraw/zinc/57/94/48/1111579448.db2.gz IUSUUQNLMCZSAM-MLGOLLRUSA-N 2 1 354.325 4.337 20 0 FIADMP Clc1cc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c(Cl)c1 ZINC000477867465 1111583518 /nfs/dbraw/zinc/58/35/18/1111583518.db2.gz UCWSHUSEOJQNHC-LSDHHAIUSA-N 2 1 352.309 4.234 20 0 FIADMP c1c[nH]c([C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248549 1111627939 /nfs/dbraw/zinc/62/79/39/1111627939.db2.gz KXAAUUQDPLSHSN-RBBKRZOGSA-N 2 1 366.553 4.185 20 0 FIADMP c1c[nH]c([C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248549 1111627943 /nfs/dbraw/zinc/62/79/43/1111627943.db2.gz KXAAUUQDPLSHSN-RBBKRZOGSA-N 2 1 366.553 4.185 20 0 FIADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552252149 1111629847 /nfs/dbraw/zinc/62/98/47/1111629847.db2.gz DDENSGLASDGVAM-NSQNTRMNSA-N 2 1 366.549 4.277 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(C)C)c1cccc(Br)c1 ZINC000479074582 1111944553 /nfs/dbraw/zinc/94/45/53/1111944553.db2.gz GXGJVQJZPNIJBM-QGZVFWFLSA-N 2 1 350.304 4.331 20 0 FIADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000479348631 1111995589 /nfs/dbraw/zinc/99/55/89/1111995589.db2.gz QYMHSSAOEJIVIE-QFIPXVFZSA-N 2 1 366.553 4.352 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000479336964 1111999019 /nfs/dbraw/zinc/99/90/19/1111999019.db2.gz PPKSONPUOWHSSP-RVKKMQEKSA-N 2 1 367.306 4.256 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000479336964 1111999021 /nfs/dbraw/zinc/99/90/21/1111999021.db2.gz PPKSONPUOWHSSP-RVKKMQEKSA-N 2 1 367.306 4.256 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1F ZINC000479438049 1112023257 /nfs/dbraw/zinc/02/32/57/1112023257.db2.gz NRSRHHFKXQTKGD-SIKLNZKXSA-N 2 1 374.475 4.018 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1F ZINC000479438050 1112023336 /nfs/dbraw/zinc/02/33/36/1112023336.db2.gz NRSRHHFKXQTKGD-UGKGYDQZSA-N 2 1 374.475 4.018 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000479466713 1112041711 /nfs/dbraw/zinc/04/17/11/1112041711.db2.gz SECMIBBATYRHGD-WMZOPIPTSA-N 2 1 372.484 4.016 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000479466713 1112041715 /nfs/dbraw/zinc/04/17/15/1112041715.db2.gz SECMIBBATYRHGD-WMZOPIPTSA-N 2 1 372.484 4.016 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466324 1112041837 /nfs/dbraw/zinc/04/18/37/1112041837.db2.gz RNJXXHOVNAUDEW-IRLDBZIGSA-N 2 1 350.506 4.320 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000479466315 1112042020 /nfs/dbraw/zinc/04/20/20/1112042020.db2.gz RLQLWBDPXIQRPN-XLIONFOSSA-N 2 1 356.510 4.474 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000553678504 1112049691 /nfs/dbraw/zinc/04/96/91/1112049691.db2.gz DXRBLFLKSRQGSP-UKRRQHHQSA-N 2 1 360.299 4.060 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000479557906 1112070886 /nfs/dbraw/zinc/07/08/86/1112070886.db2.gz YTJGHOUKHDFSCM-IBGZPJMESA-N 2 1 367.537 4.359 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000479765606 1112135237 /nfs/dbraw/zinc/13/52/37/1112135237.db2.gz DIDHZRUVWPDPEY-KXBFYZLASA-N 2 1 373.368 4.263 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000479877350 1112174548 /nfs/dbraw/zinc/17/45/48/1112174548.db2.gz XFCZJRGKONEURM-GFCCVEGCSA-N 2 1 355.313 4.090 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(F)cn1 ZINC000554050888 1112176412 /nfs/dbraw/zinc/17/64/12/1112176412.db2.gz XEFBGVLFIQPEHG-IAGOWNOFSA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(F)cn1 ZINC000554050888 1112176415 /nfs/dbraw/zinc/17/64/15/1112176415.db2.gz XEFBGVLFIQPEHG-IAGOWNOFSA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(F)cn1 ZINC000554070925 1112181991 /nfs/dbraw/zinc/18/19/91/1112181991.db2.gz BJUXZLYSBAMPNF-SJORKVTESA-N 2 1 371.500 4.455 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(F)cn1 ZINC000554070925 1112181996 /nfs/dbraw/zinc/18/19/96/1112181996.db2.gz BJUXZLYSBAMPNF-SJORKVTESA-N 2 1 371.500 4.455 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c(F)cn1 ZINC000554071047 1112182515 /nfs/dbraw/zinc/18/25/15/1112182515.db2.gz FSJGVOREIAAOMQ-QGZVFWFLSA-N 2 1 371.500 4.312 20 0 FIADMP Cn1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(-c2ccccc2Cl)n1 ZINC000479953091 1112212979 /nfs/dbraw/zinc/21/29/79/1112212979.db2.gz GOGBRAXYARTMJC-UHFFFAOYSA-N 2 1 368.912 4.092 20 0 FIADMP Cn1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(-c2ccccc2Cl)n1 ZINC000479953091 1112212981 /nfs/dbraw/zinc/21/29/81/1112212981.db2.gz GOGBRAXYARTMJC-UHFFFAOYSA-N 2 1 368.912 4.092 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000480050111 1112253460 /nfs/dbraw/zinc/25/34/60/1112253460.db2.gz UDTOYGJNZXIGOK-LBPRGKRZSA-N 2 1 354.922 4.317 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000480145443 1112300571 /nfs/dbraw/zinc/30/05/71/1112300571.db2.gz SOPXZKFONCVBBD-KRWDZBQOSA-N 2 1 367.331 4.127 20 0 FIADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000480259666 1112348390 /nfs/dbraw/zinc/34/83/90/1112348390.db2.gz IFNCODHMNMIQSU-CVEARBPZSA-N 2 1 358.448 4.118 20 0 FIADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000480259666 1112348396 /nfs/dbraw/zinc/34/83/96/1112348396.db2.gz IFNCODHMNMIQSU-CVEARBPZSA-N 2 1 358.448 4.118 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000480608973 1112499277 /nfs/dbraw/zinc/49/92/77/1112499277.db2.gz IJQLPHNNTZOJAP-XPNTWCBSSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000480608973 1112499279 /nfs/dbraw/zinc/49/92/79/1112499279.db2.gz IJQLPHNNTZOJAP-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000480608973 1112499281 /nfs/dbraw/zinc/49/92/81/1112499281.db2.gz IJQLPHNNTZOJAP-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000480608973 1112499283 /nfs/dbraw/zinc/49/92/83/1112499283.db2.gz IJQLPHNNTZOJAP-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000480608973 1112499284 /nfs/dbraw/zinc/49/92/84/1112499284.db2.gz IJQLPHNNTZOJAP-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480623130 1112514866 /nfs/dbraw/zinc/51/48/66/1112514866.db2.gz HTYCBQARDDGFRR-DLBZAZTESA-N 2 1 357.542 4.222 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635486 1112523510 /nfs/dbraw/zinc/52/35/10/1112523510.db2.gz AIJMLZTYJKSCJK-QZTJIDSGSA-N 2 1 366.505 4.498 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480752480 1112578617 /nfs/dbraw/zinc/57/86/17/1112578617.db2.gz YHHGULOORCVIGJ-KRWDZBQOSA-N 2 1 355.295 4.113 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000480744276 1112582985 /nfs/dbraw/zinc/58/29/85/1112582985.db2.gz YFLYOXDUVBMKPJ-UGQVUOCMSA-N 2 1 357.325 4.366 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745488 1112583758 /nfs/dbraw/zinc/58/37/58/1112583758.db2.gz OLIAEJIZOAIMMU-ZTFRIQLXSA-N 2 1 355.295 4.112 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745488 1112583761 /nfs/dbraw/zinc/58/37/61/1112583761.db2.gz OLIAEJIZOAIMMU-ZTFRIQLXSA-N 2 1 355.295 4.112 20 0 FIADMP Cc1ccsc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000480782769 1112595252 /nfs/dbraw/zinc/59/52/52/1112595252.db2.gz XTIPIWJXZSJJMV-UYAOXDASSA-N 2 1 357.567 4.086 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)C1 ZINC000481302051 1112887207 /nfs/dbraw/zinc/88/72/07/1112887207.db2.gz BYJKTPLNOAJDCV-FUHWJXTLSA-N 2 1 355.551 4.427 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3C)CC1)CC2 ZINC000481331299 1112903442 /nfs/dbraw/zinc/90/34/42/1112903442.db2.gz IPIWYCXPQVQAOB-QHCPKHFHSA-N 2 1 350.506 4.245 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)[C@H](C)C1 ZINC000481421639 1112937948 /nfs/dbraw/zinc/93/79/48/1112937948.db2.gz IYXVJBXQOZCBCD-IIBYNOLFSA-N 2 1 357.542 4.011 20 0 FIADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC/C=C/c3ccc(Br)cc3)C2)C1 ZINC000555597410 1112941553 /nfs/dbraw/zinc/94/15/53/1112941553.db2.gz HGBFDRYFPFRVPH-KPUAHBEZSA-N 2 1 363.343 4.270 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547337 1112977922 /nfs/dbraw/zinc/97/79/22/1112977922.db2.gz RUDKHLVZEKQQJK-OPAMFIHVSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547337 1112977924 /nfs/dbraw/zinc/97/79/24/1112977924.db2.gz RUDKHLVZEKQQJK-OPAMFIHVSA-N 2 1 374.475 4.426 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558561 1112981663 /nfs/dbraw/zinc/98/16/63/1112981663.db2.gz OHGCYZUPCRTBCP-ZHRRBRCNSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558561 1112981665 /nfs/dbraw/zinc/98/16/65/1112981665.db2.gz OHGCYZUPCRTBCP-ZHRRBRCNSA-N 2 1 370.924 4.338 20 0 FIADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481571360 1112985819 /nfs/dbraw/zinc/98/58/19/1112985819.db2.gz VYXGZVZSMZONMC-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481571360 1112985821 /nfs/dbraw/zinc/98/58/21/1112985821.db2.gz VYXGZVZSMZONMC-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000481651077 1113012046 /nfs/dbraw/zinc/01/20/46/1113012046.db2.gz CUUKVQZVYMEAGN-ZACQAIPSSA-N 2 1 372.475 4.115 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CCC(C)(C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000481679818 1113023759 /nfs/dbraw/zinc/02/37/59/1113023759.db2.gz VRQRJSFXCPZCDB-NRFANRHFSA-N 2 1 364.537 4.465 20 0 FIADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(=O)OC)cc1 ZINC000556038132 1113119567 /nfs/dbraw/zinc/11/95/67/1113119567.db2.gz LSPTXVUZGLEDPK-JOCHJYFZSA-N 2 1 366.505 4.179 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC[N@H+]1C ZINC000482121603 1113181642 /nfs/dbraw/zinc/18/16/42/1113181642.db2.gz DCSBZUIGEAFHPB-JTSKRJEESA-N 2 1 350.506 4.251 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127662 1113183836 /nfs/dbraw/zinc/18/38/36/1113183836.db2.gz ORJIPHNLNIBYTG-JTSKRJEESA-N 2 1 350.506 4.108 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@H](C)C1 ZINC000482236616 1113206602 /nfs/dbraw/zinc/20/66/02/1113206602.db2.gz ASMMRCJABMSOPW-YLJYHZDGSA-N 2 1 366.977 4.344 20 0 FIADMP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000482240034 1113207487 /nfs/dbraw/zinc/20/74/87/1113207487.db2.gz IKLNUDOAIJGRAI-UHFFFAOYSA-N 2 1 374.912 4.257 20 0 FIADMP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000482240034 1113207489 /nfs/dbraw/zinc/20/74/89/1113207489.db2.gz IKLNUDOAIJGRAI-UHFFFAOYSA-N 2 1 374.912 4.257 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339590 1113229236 /nfs/dbraw/zinc/22/92/36/1113229236.db2.gz VRUXCEIQJXEZJM-GBXCKJPGSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339590 1113229240 /nfs/dbraw/zinc/22/92/40/1113229240.db2.gz VRUXCEIQJXEZJM-GBXCKJPGSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339590 1113229243 /nfs/dbraw/zinc/22/92/43/1113229243.db2.gz VRUXCEIQJXEZJM-GBXCKJPGSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339590 1113229249 /nfs/dbraw/zinc/22/92/49/1113229249.db2.gz VRUXCEIQJXEZJM-GBXCKJPGSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339590 1113229254 /nfs/dbraw/zinc/22/92/54/1113229254.db2.gz VRUXCEIQJXEZJM-GBXCKJPGSA-N 2 1 365.565 4.139 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000482343615 1113229971 /nfs/dbraw/zinc/22/99/71/1113229971.db2.gz LIAWHCXJUMKDQX-KSSFIOAISA-N 2 1 351.332 4.146 20 0 FIADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482448441 1113262106 /nfs/dbraw/zinc/26/21/06/1113262106.db2.gz NWMQQTFPPXUWCS-TZIWHRDSSA-N 2 1 352.522 4.219 20 0 FIADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482448441 1113262110 /nfs/dbraw/zinc/26/21/10/1113262110.db2.gz NWMQQTFPPXUWCS-TZIWHRDSSA-N 2 1 352.522 4.219 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCCc2c(Cl)cccc2Cl)CCCO1 ZINC000482459594 1113266231 /nfs/dbraw/zinc/26/62/31/1113266231.db2.gz VWPGWSHGADHSKX-OAHLLOKOSA-N 2 1 359.341 4.017 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000482600413 1113309316 /nfs/dbraw/zinc/30/93/16/1113309316.db2.gz DIBYYZXYMBYGNO-UHFFFAOYSA-N 2 1 371.916 4.118 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000482640263 1113317522 /nfs/dbraw/zinc/31/75/22/1113317522.db2.gz UIICSCPAMUIPNM-UHFFFAOYSA-N 2 1 371.569 4.055 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(-c2ccccc2)c1 ZINC000482883667 1113392060 /nfs/dbraw/zinc/39/20/60/1113392060.db2.gz AJDHXUOMHUKMDX-AUSIDOKSSA-N 2 1 352.522 4.241 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000483128736 1113448957 /nfs/dbraw/zinc/44/89/57/1113448957.db2.gz QGUJKLAOTVHGTK-JCTONOIOSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000483128736 1113448958 /nfs/dbraw/zinc/44/89/58/1113448958.db2.gz QGUJKLAOTVHGTK-JCTONOIOSA-N 2 1 363.549 4.156 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)[C@@H](C)C1 ZINC000483139777 1113451765 /nfs/dbraw/zinc/45/17/65/1113451765.db2.gz YNDUMKJQIQHVOC-UOVPBQLFSA-N 2 1 368.612 4.400 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)[C@@H](C)C1 ZINC000483139777 1113451767 /nfs/dbraw/zinc/45/17/67/1113451767.db2.gz YNDUMKJQIQHVOC-UOVPBQLFSA-N 2 1 368.612 4.400 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182247 1113459010 /nfs/dbraw/zinc/45/90/10/1113459010.db2.gz YIPZSUVOLSBJIB-MMNPAVHPSA-N 2 1 358.448 4.101 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182247 1113459012 /nfs/dbraw/zinc/45/90/12/1113459012.db2.gz YIPZSUVOLSBJIB-MMNPAVHPSA-N 2 1 358.448 4.101 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000483276403 1113478584 /nfs/dbraw/zinc/47/85/84/1113478584.db2.gz NAAJYYYSENOOFV-WIYYLYMNSA-N 2 1 357.542 4.264 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000483276403 1113478585 /nfs/dbraw/zinc/47/85/85/1113478585.db2.gz NAAJYYYSENOOFV-WIYYLYMNSA-N 2 1 357.542 4.264 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000483276403 1113478587 /nfs/dbraw/zinc/47/85/87/1113478587.db2.gz NAAJYYYSENOOFV-WIYYLYMNSA-N 2 1 357.542 4.264 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486376486 1113556488 /nfs/dbraw/zinc/55/64/88/1113556488.db2.gz OYSGEFHMBCYIHN-DENIHFKCSA-N 2 1 374.532 4.181 20 0 FIADMP C[C@H](NCc1csc(-c2ccco2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486514877 1113585680 /nfs/dbraw/zinc/58/56/80/1113585680.db2.gz FKAZJYGKBUNHNM-WMZOPIPTSA-N 2 1 367.518 4.403 20 0 FIADMP COc1cc(C)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000486522135 1113587712 /nfs/dbraw/zinc/58/77/12/1113587712.db2.gz YCJRZYCGTHPXMR-UYAOXDASSA-N 2 1 368.521 4.012 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000488107718 1113855811 /nfs/dbraw/zinc/85/58/11/1113855811.db2.gz GZIBMBSDYPZAJW-BRKWEVRTSA-N 2 1 354.538 4.108 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000488117330 1113859321 /nfs/dbraw/zinc/85/93/21/1113859321.db2.gz YEJCEYWWTCUQKI-YCZSINBZSA-N 2 1 354.538 4.108 20 0 FIADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000488271938 1113896136 /nfs/dbraw/zinc/89/61/36/1113896136.db2.gz ZFIHQVHBWNJWBR-MRXNPFEDSA-N 2 1 365.949 4.029 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000488445350 1113933296 /nfs/dbraw/zinc/93/32/96/1113933296.db2.gz FRQKCBYZDFIVPS-SNJCGAMXSA-N 2 1 358.570 4.439 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000488990716 1114028733 /nfs/dbraw/zinc/02/87/33/1114028733.db2.gz YLDBDNPDZVWMGR-HXUWFJFHSA-N 2 1 374.960 4.118 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000488990716 1114028736 /nfs/dbraw/zinc/02/87/36/1114028736.db2.gz YLDBDNPDZVWMGR-HXUWFJFHSA-N 2 1 374.960 4.118 20 0 FIADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000489887921 1114182769 /nfs/dbraw/zinc/18/27/69/1114182769.db2.gz WIIIOVVRYXNGDL-GOSISDBHSA-N 2 1 367.493 4.011 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000571466597 1114466267 /nfs/dbraw/zinc/46/62/67/1114466267.db2.gz BTYAFUDKVIUIDA-ROUUACIJSA-N 2 1 353.510 4.315 20 0 FIADMP CN(Cc1ccccc1OC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571806194 1114539853 /nfs/dbraw/zinc/53/98/53/1114539853.db2.gz AFHRTIARXSWSBX-FQEVSTJZSA-N 2 1 350.506 4.182 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000572053375 1114596284 /nfs/dbraw/zinc/59/62/84/1114596284.db2.gz PGQVNHOUHZNDTF-KNQAVFIVSA-N 2 1 364.533 4.370 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000572053375 1114596285 /nfs/dbraw/zinc/59/62/85/1114596285.db2.gz PGQVNHOUHZNDTF-KNQAVFIVSA-N 2 1 364.533 4.370 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000156936831 1114635903 /nfs/dbraw/zinc/63/59/03/1114635903.db2.gz WVHWRSQKPIYJKD-KRWDZBQOSA-N 2 1 371.525 4.091 20 0 FIADMP COc1cccc(C2(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000572414331 1114636884 /nfs/dbraw/zinc/63/68/84/1114636884.db2.gz RFZQPHFSZWSDRP-UHFFFAOYSA-N 2 1 364.533 4.024 20 0 FIADMP COc1cccc(Cl)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000572504505 1114651290 /nfs/dbraw/zinc/65/12/90/1114651290.db2.gz UBNJZIPQEQNUJG-UHFFFAOYSA-N 2 1 374.912 4.111 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)c1 ZINC000589837937 1114846992 /nfs/dbraw/zinc/84/69/92/1114846992.db2.gz KLFIVBMZYAHDRE-FCHUYYIVSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2)c1 ZINC000589837937 1114846994 /nfs/dbraw/zinc/84/69/94/1114846994.db2.gz KLFIVBMZYAHDRE-FCHUYYIVSA-N 2 1 354.469 4.121 20 0 FIADMP CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999674 1114873415 /nfs/dbraw/zinc/87/34/15/1114873415.db2.gz RVMFTNXEKBPVAM-UHFFFAOYSA-N 2 1 373.928 4.171 20 0 FIADMP CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999674 1114873417 /nfs/dbraw/zinc/87/34/17/1114873417.db2.gz RVMFTNXEKBPVAM-UHFFFAOYSA-N 2 1 373.928 4.171 20 0 FIADMP c1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1Cc1ccccc1 ZINC000590611268 1114952789 /nfs/dbraw/zinc/95/27/89/1114952789.db2.gz DTLBNZVGTCDUOR-HXUWFJFHSA-N 2 1 359.517 4.264 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611274 1114952958 /nfs/dbraw/zinc/95/29/58/1114952958.db2.gz DXJYVBYPDMUPEP-UPVQGACJSA-N 2 1 359.517 4.406 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611274 1114952962 /nfs/dbraw/zinc/95/29/62/1114952962.db2.gz DXJYVBYPDMUPEP-UPVQGACJSA-N 2 1 359.517 4.406 20 0 FIADMP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001168400309 1115033231 /nfs/dbraw/zinc/03/32/31/1115033231.db2.gz MBNUCMNKLJMXPA-JLLPCOHGSA-N 2 1 364.508 4.468 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000591700563 1115124948 /nfs/dbraw/zinc/12/49/48/1115124948.db2.gz LABTYRFBLMUGSA-QGZVFWFLSA-N 2 1 367.468 4.336 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000591700444 1115125144 /nfs/dbraw/zinc/12/51/44/1115125144.db2.gz BTJFKDJUNBGLRT-ZDUSSCGKSA-N 2 1 360.914 4.394 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609583 1115146730 /nfs/dbraw/zinc/14/67/30/1115146730.db2.gz BRYBNLGBFNXSNI-ZFWWWQNUSA-N 2 1 374.941 4.275 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609583 1115146732 /nfs/dbraw/zinc/14/67/32/1115146732.db2.gz BRYBNLGBFNXSNI-ZFWWWQNUSA-N 2 1 374.941 4.275 20 0 FIADMP CSc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651925 1115161955 /nfs/dbraw/zinc/16/19/55/1115161955.db2.gz QUWVXTYCICXBIE-MSOLQXFVSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651925 1115161958 /nfs/dbraw/zinc/16/19/58/1115161958.db2.gz QUWVXTYCICXBIE-MSOLQXFVSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651925 1115161960 /nfs/dbraw/zinc/16/19/60/1115161960.db2.gz QUWVXTYCICXBIE-MSOLQXFVSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651925 1115161963 /nfs/dbraw/zinc/16/19/63/1115161963.db2.gz QUWVXTYCICXBIE-MSOLQXFVSA-N 2 1 358.576 4.424 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC000574062426 1115288408 /nfs/dbraw/zinc/28/84/08/1115288408.db2.gz TZZIUVHSOJESPB-FVJLSDCUSA-N 2 1 368.512 4.013 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000594006137 1115372074 /nfs/dbraw/zinc/37/20/74/1115372074.db2.gz NZSHQSXUVNLKMZ-INIZCTEOSA-N 2 1 374.326 4.452 20 0 FIADMP Cc1sc(C2([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CCC2)nc1-c1ccccc1F ZINC000574531243 1115413749 /nfs/dbraw/zinc/41/37/49/1115413749.db2.gz OCRYYLYHZNKNMP-HUUCEWRRSA-N 2 1 359.514 4.496 20 0 FIADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000574624092 1115429671 /nfs/dbraw/zinc/42/96/71/1115429671.db2.gz HOQPEPGMJRQEHT-JTHBVZDNSA-N 2 1 355.570 4.209 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c(C)o1 ZINC000594615592 1115472141 /nfs/dbraw/zinc/47/21/41/1115472141.db2.gz QUHJXEBOTJYSSY-UHFFFAOYSA-N 2 1 370.493 4.040 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OCc2ccccn2)c1 ZINC000574868623 1115515332 /nfs/dbraw/zinc/51/53/32/1115515332.db2.gz JKUFTIAXIRIOSC-IRBZQWRBSA-N 2 1 359.473 4.456 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000669614186 1115665951 /nfs/dbraw/zinc/66/59/51/1115665951.db2.gz CTEQNYKJCMBZHJ-WOJBJXKFSA-N 2 1 359.517 4.137 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000669614183 1115665984 /nfs/dbraw/zinc/66/59/84/1115665984.db2.gz CTEQNYKJCMBZHJ-PMACEKPBSA-N 2 1 359.517 4.137 20 0 FIADMP COc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1F ZINC000669679704 1115773881 /nfs/dbraw/zinc/77/38/81/1115773881.db2.gz DGHVSJHRLXQPTK-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000669679704 1115773884 /nfs/dbraw/zinc/77/38/84/1115773884.db2.gz DGHVSJHRLXQPTK-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1F ZINC000669679704 1115773888 /nfs/dbraw/zinc/77/38/88/1115773888.db2.gz DGHVSJHRLXQPTK-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1F ZINC000669709016 1115844417 /nfs/dbraw/zinc/84/44/17/1115844417.db2.gz JKHVKPAKSAJEFP-UHFFFAOYSA-N 2 1 368.496 4.322 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955631 1116255793 /nfs/dbraw/zinc/25/57/93/1116255793.db2.gz XSPMUCXGCATDDN-KRWDZBQOSA-N 2 1 361.917 4.198 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955631 1116255794 /nfs/dbraw/zinc/25/57/94/1116255794.db2.gz XSPMUCXGCATDDN-KRWDZBQOSA-N 2 1 361.917 4.198 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509164 1116313857 /nfs/dbraw/zinc/31/38/57/1116313857.db2.gz YPCXXDFXVZXQCU-MEDUHNTESA-N 2 1 357.723 4.021 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000539544148 1116341298 /nfs/dbraw/zinc/34/12/98/1116341298.db2.gz GDEQLTCLSYPELV-UHFFFAOYSA-N 2 1 361.283 4.061 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000539813242 1116384288 /nfs/dbraw/zinc/38/42/88/1116384288.db2.gz ICHSQFNWNWQARK-OAHLLOKOSA-N 2 1 355.432 4.485 20 0 FIADMP Clc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000539821383 1116385774 /nfs/dbraw/zinc/38/57/74/1116385774.db2.gz DNOQFOLJOJOXHW-UHFFFAOYSA-N 2 1 357.325 4.070 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821970 1116386307 /nfs/dbraw/zinc/38/63/07/1116386307.db2.gz UTSRGHHXFFNLKG-JKSUJKDBSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821970 1116386309 /nfs/dbraw/zinc/38/63/09/1116386309.db2.gz UTSRGHHXFFNLKG-JKSUJKDBSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821970 1116386310 /nfs/dbraw/zinc/38/63/10/1116386310.db2.gz UTSRGHHXFFNLKG-JKSUJKDBSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821970 1116386312 /nfs/dbraw/zinc/38/63/12/1116386312.db2.gz UTSRGHHXFFNLKG-JKSUJKDBSA-N 2 1 353.348 4.216 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001168432552 1117747121 /nfs/dbraw/zinc/74/71/21/1117747121.db2.gz WKCFBMSQUGQYNP-QFIPXVFZSA-N 2 1 368.496 4.264 20 0 FIADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887420 1117828853 /nfs/dbraw/zinc/82/88/53/1117828853.db2.gz JMABKFIZQDTIGG-IERDGZPVSA-N 2 1 356.535 4.333 20 0 FIADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887420 1117828859 /nfs/dbraw/zinc/82/88/59/1117828859.db2.gz JMABKFIZQDTIGG-IERDGZPVSA-N 2 1 356.535 4.333 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000540172695 1117913396 /nfs/dbraw/zinc/91/33/96/1117913396.db2.gz SBTCVUCLFZKZSR-SOLBZPMBSA-N 2 1 370.484 4.218 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)C[C@H](C)O1 ZINC000540175433 1117915783 /nfs/dbraw/zinc/91/57/83/1117915783.db2.gz IJWNCXBTOIOHQF-FCEWJHQRSA-N 2 1 366.933 4.033 20 0 FIADMP COc1cccc(OCCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000540183750 1117926211 /nfs/dbraw/zinc/92/62/11/1117926211.db2.gz VGDLWNYDVAKSRF-KRWDZBQOSA-N 2 1 365.477 4.309 20 0 FIADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070118 1117955341 /nfs/dbraw/zinc/95/53/41/1117955341.db2.gz CKGYQCANGRAEEV-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070118 1117955343 /nfs/dbraw/zinc/95/53/43/1117955343.db2.gz CKGYQCANGRAEEV-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073881 1117957662 /nfs/dbraw/zinc/95/76/62/1117957662.db2.gz KQAYJKPFBZPHMU-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073881 1117957664 /nfs/dbraw/zinc/95/76/64/1117957664.db2.gz KQAYJKPFBZPHMU-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463083091 1117964690 /nfs/dbraw/zinc/96/46/90/1117964690.db2.gz FDUHECRZZASIRX-UGKGYDQZSA-N 2 1 366.553 4.071 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463083091 1117964692 /nfs/dbraw/zinc/96/46/92/1117964692.db2.gz FDUHECRZZASIRX-UGKGYDQZSA-N 2 1 366.553 4.071 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1Cc1ccccc1 ZINC000463106907 1117967418 /nfs/dbraw/zinc/96/74/18/1117967418.db2.gz BRNONAJCSCEKSD-PGRDOPGGSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000463106907 1117967419 /nfs/dbraw/zinc/96/74/19/1117967419.db2.gz BRNONAJCSCEKSD-PGRDOPGGSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000463106907 1117967422 /nfs/dbraw/zinc/96/74/22/1117967422.db2.gz BRNONAJCSCEKSD-PGRDOPGGSA-N 2 1 365.521 4.013 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000463108857 1117968680 /nfs/dbraw/zinc/96/86/80/1117968680.db2.gz UZVIPCYTXGWVQI-OAQYLSRUSA-N 2 1 368.569 4.179 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000463108857 1117968682 /nfs/dbraw/zinc/96/86/82/1117968682.db2.gz UZVIPCYTXGWVQI-OAQYLSRUSA-N 2 1 368.569 4.179 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000463108857 1117968684 /nfs/dbraw/zinc/96/86/84/1117968684.db2.gz UZVIPCYTXGWVQI-OAQYLSRUSA-N 2 1 368.569 4.179 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000463113273 1117969599 /nfs/dbraw/zinc/96/95/99/1117969599.db2.gz BIIXSBUWKDGXCU-MJGOQNOKSA-N 2 1 357.567 4.452 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000463113273 1117969602 /nfs/dbraw/zinc/96/96/02/1117969602.db2.gz BIIXSBUWKDGXCU-MJGOQNOKSA-N 2 1 357.567 4.452 20 0 FIADMP Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000540286847 1117977056 /nfs/dbraw/zinc/97/70/56/1117977056.db2.gz SEHKEMZDSKTCJN-CYBMUJFWSA-N 2 1 358.392 4.252 20 0 FIADMP CC(C)[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000463130706 1117977287 /nfs/dbraw/zinc/97/72/87/1117977287.db2.gz HNWPLWNJNNUGRI-OAQYLSRUSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463189141 1118019530 /nfs/dbraw/zinc/01/95/30/1118019530.db2.gz JCSLHHWXUIMOHF-WNXIRNOKSA-N 2 1 366.549 4.184 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463189141 1118019535 /nfs/dbraw/zinc/01/95/35/1118019535.db2.gz JCSLHHWXUIMOHF-WNXIRNOKSA-N 2 1 366.549 4.184 20 0 FIADMP CC(C)[NH+](CCCNC1CC[NH+](Cc2ccccc2Cl)CC1)C(C)C ZINC000463207685 1118021499 /nfs/dbraw/zinc/02/14/99/1118021499.db2.gz TWNCPTQNAAGOJF-UHFFFAOYSA-N 2 1 365.993 4.403 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)C1 ZINC000540409275 1118037769 /nfs/dbraw/zinc/03/77/69/1118037769.db2.gz UZFOLHSJSAKFIN-PBFPGSCMSA-N 2 1 369.372 4.163 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H](c4ccccc4)C3)CC2)cc1 ZINC000463237079 1118044371 /nfs/dbraw/zinc/04/43/71/1118044371.db2.gz LSXQADWYSWAGRJ-JKIUYZKVSA-N 2 1 352.497 4.368 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000463284508 1118070037 /nfs/dbraw/zinc/07/00/37/1118070037.db2.gz DQQIZGOVLZBOJA-PXNSSMCTSA-N 2 1 355.551 4.336 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000463284508 1118070044 /nfs/dbraw/zinc/07/00/44/1118070044.db2.gz DQQIZGOVLZBOJA-PXNSSMCTSA-N 2 1 355.551 4.336 20 0 FIADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000463267125 1118071357 /nfs/dbraw/zinc/07/13/57/1118071357.db2.gz OBQVZDFCHBOLKL-UGKGYDQZSA-N 2 1 352.522 4.194 20 0 FIADMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000463267125 1118071361 /nfs/dbraw/zinc/07/13/61/1118071361.db2.gz OBQVZDFCHBOLKL-UGKGYDQZSA-N 2 1 352.522 4.194 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463275361 1118074825 /nfs/dbraw/zinc/07/48/25/1118074825.db2.gz VHNJOXZKKDLLSW-CRAIPNDOSA-N 2 1 362.439 4.289 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463275361 1118074831 /nfs/dbraw/zinc/07/48/31/1118074831.db2.gz VHNJOXZKKDLLSW-CRAIPNDOSA-N 2 1 362.439 4.289 20 0 FIADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463290378 1118085338 /nfs/dbraw/zinc/08/53/38/1118085338.db2.gz STJKBJDQFDSFHB-VXKWHMMOSA-N 2 1 362.533 4.016 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463289922 1118086037 /nfs/dbraw/zinc/08/60/37/1118086037.db2.gz QYJHMNKCKOVGKG-FXAWDEMLSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463289922 1118086043 /nfs/dbraw/zinc/08/60/43/1118086043.db2.gz QYJHMNKCKOVGKG-FXAWDEMLSA-N 2 1 374.475 4.473 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@@H]1C ZINC000540548437 1118120393 /nfs/dbraw/zinc/12/03/93/1118120393.db2.gz UXEDXITUXVNQAH-FPOVZHCZSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@@H]1C ZINC000540548437 1118120395 /nfs/dbraw/zinc/12/03/95/1118120395.db2.gz UXEDXITUXVNQAH-FPOVZHCZSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@@H]1C ZINC000540548437 1118120399 /nfs/dbraw/zinc/12/03/99/1118120399.db2.gz UXEDXITUXVNQAH-FPOVZHCZSA-N 2 1 374.569 4.187 20 0 FIADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000540596738 1118140613 /nfs/dbraw/zinc/14/06/13/1118140613.db2.gz GYIQURGYHTUKIW-GOSISDBHSA-N 2 1 365.521 4.264 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000541083787 1118376268 /nfs/dbraw/zinc/37/62/68/1118376268.db2.gz DHIQDRLPGPFLSL-UHFFFAOYSA-N 2 1 364.603 4.076 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000761450002 1118447025 /nfs/dbraw/zinc/44/70/25/1118447025.db2.gz JBKAHUCQPSDXTL-GGAORHGYSA-N 2 1 356.554 4.420 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cn1 ZINC000491316104 1118479550 /nfs/dbraw/zinc/47/95/50/1118479550.db2.gz KBBKSPDDPMCVBN-LLGFUMIMSA-N 2 1 371.500 4.071 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000541347927 1118482110 /nfs/dbraw/zinc/48/21/10/1118482110.db2.gz AEEPWKTWHLHNJL-UHFFFAOYSA-N 2 1 355.551 4.365 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000541347927 1118482113 /nfs/dbraw/zinc/48/21/13/1118482113.db2.gz AEEPWKTWHLHNJL-UHFFFAOYSA-N 2 1 355.551 4.365 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C[C@@H](C)c3cccc(Cl)c3)CCCC2)CC1 ZINC000470367863 1118483687 /nfs/dbraw/zinc/48/36/87/1118483687.db2.gz UFTUBPZLYDDEEO-QGZVFWFLSA-N 2 1 364.961 4.457 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000541543840 1118549296 /nfs/dbraw/zinc/54/92/96/1118549296.db2.gz MXJCKWVQFCRKGH-FQEVSTJZSA-N 2 1 356.420 4.024 20 0 FIADMP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000541533906 1118553136 /nfs/dbraw/zinc/55/31/36/1118553136.db2.gz HKNBYTWHGNCZFY-QFIPXVFZSA-N 2 1 362.477 4.312 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)c1 ZINC000541565562 1118557611 /nfs/dbraw/zinc/55/76/11/1118557611.db2.gz GIEAWWUMLSZFEN-HXUWFJFHSA-N 2 1 351.494 4.090 20 0 FIADMP Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001168438595 1118579872 /nfs/dbraw/zinc/57/98/72/1118579872.db2.gz CESIERJVWSCTDF-XMMPIXPASA-N 2 1 364.508 4.206 20 0 FIADMP Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001168438595 1118579876 /nfs/dbraw/zinc/57/98/76/1118579876.db2.gz CESIERJVWSCTDF-XMMPIXPASA-N 2 1 364.508 4.206 20 0 FIADMP COc1cccc(CCC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464843897 1118718407 /nfs/dbraw/zinc/71/84/07/1118718407.db2.gz ZKRZLWDQAFDRIR-JOCHJYFZSA-N 2 1 352.522 4.082 20 0 FIADMP COc1cccc(CCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464843897 1118718408 /nfs/dbraw/zinc/71/84/08/1118718408.db2.gz ZKRZLWDQAFDRIR-JOCHJYFZSA-N 2 1 352.522 4.082 20 0 FIADMP COc1cccc(CCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464843897 1118718410 /nfs/dbraw/zinc/71/84/10/1118718410.db2.gz ZKRZLWDQAFDRIR-JOCHJYFZSA-N 2 1 352.522 4.082 20 0 FIADMP C[C@@H](CCCCO)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670161068 1118749728 /nfs/dbraw/zinc/74/97/28/1118749728.db2.gz GHFAJUQERLZYAH-ZBUUHCTJSA-N 2 1 364.961 4.395 20 0 FIADMP C[N@@H+]1CCCC12CC[NH+](CCCOc1cccc(C(F)(F)F)c1)CC2 ZINC000542254156 1118862233 /nfs/dbraw/zinc/86/22/33/1118862233.db2.gz PDAJVVMIAJQGAU-UHFFFAOYSA-N 2 1 356.432 4.035 20 0 FIADMP C[N@H+]1CCCC12CC[NH+](CCCOc1cccc(C(F)(F)F)c1)CC2 ZINC000542254156 1118862242 /nfs/dbraw/zinc/86/22/42/1118862242.db2.gz PDAJVVMIAJQGAU-UHFFFAOYSA-N 2 1 356.432 4.035 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCC(F)(F)C3)sc2C1 ZINC000491581198 1118964289 /nfs/dbraw/zinc/96/42/89/1118964289.db2.gz KBYLGMMLQQVRPN-AWEZNQCLSA-N 2 1 357.514 4.215 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCC(F)(F)C3)sc2C1 ZINC000491581198 1118964292 /nfs/dbraw/zinc/96/42/92/1118964292.db2.gz KBYLGMMLQQVRPN-AWEZNQCLSA-N 2 1 357.514 4.215 20 0 FIADMP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000261713176 1118987238 /nfs/dbraw/zinc/98/72/38/1118987238.db2.gz PXYRYOHOVVDRDM-SNVBAGLBSA-N 2 1 354.338 4.456 20 0 FIADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000261713174 1118987274 /nfs/dbraw/zinc/98/72/74/1118987274.db2.gz PXYRYOHOVVDRDM-JTQLQIEISA-N 2 1 354.338 4.456 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195730 1119044012 /nfs/dbraw/zinc/04/40/12/1119044012.db2.gz XBTMHHZLEYEKBP-MNDCFMPDSA-N 2 1 370.562 4.393 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195730 1119044017 /nfs/dbraw/zinc/04/40/17/1119044017.db2.gz XBTMHHZLEYEKBP-MNDCFMPDSA-N 2 1 370.562 4.393 20 0 FIADMP C[C@@H]([NH2+]CCCCOc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492404598 1119088053 /nfs/dbraw/zinc/08/80/53/1119088053.db2.gz ZNKKENJBTDWIKQ-IRLDBZIGSA-N 2 1 352.522 4.346 20 0 FIADMP Brc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309652024 1119292608 /nfs/dbraw/zinc/29/26/08/1119292608.db2.gz ALRLHWZFELKPDC-HNNXBMFYSA-N 2 1 365.340 4.122 20 0 FIADMP Brc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309652024 1119292612 /nfs/dbraw/zinc/29/26/12/1119292612.db2.gz ALRLHWZFELKPDC-HNNXBMFYSA-N 2 1 365.340 4.122 20 0 FIADMP COc1cccc(F)c1[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517775 1119377628 /nfs/dbraw/zinc/37/76/28/1119377628.db2.gz IQJVGQZRURYLHE-LNLFQRSKSA-N 2 1 356.485 4.396 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC(C)(C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000178322268 1119383985 /nfs/dbraw/zinc/38/39/85/1119383985.db2.gz FDJYQCUQUWUUCG-HXUWFJFHSA-N 2 1 350.510 4.074 20 0 FIADMP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311704814 1119385439 /nfs/dbraw/zinc/38/54/39/1119385439.db2.gz VAQGWMPFZFZQKZ-UGKGYDQZSA-N 2 1 352.522 4.474 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620594 1119398684 /nfs/dbraw/zinc/39/86/84/1119398684.db2.gz AWPBJKFFDHCRFF-TZIWHRDSSA-N 2 1 359.517 4.450 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620594 1119398688 /nfs/dbraw/zinc/39/86/88/1119398688.db2.gz AWPBJKFFDHCRFF-TZIWHRDSSA-N 2 1 359.517 4.450 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)c3ncccc3c2)CC1 ZINC000542466635 1119461684 /nfs/dbraw/zinc/46/16/84/1119461684.db2.gz OHWQWUPYJVCGHW-UHFFFAOYSA-N 2 1 369.553 4.114 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493890031 1119503754 /nfs/dbraw/zinc/50/37/54/1119503754.db2.gz ACEDHYXQKCZYIM-QGZVFWFLSA-N 2 1 362.315 4.320 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916681 1119506284 /nfs/dbraw/zinc/50/62/84/1119506284.db2.gz MCLNFWTYHCWWTE-WMLDXEAASA-N 2 1 351.332 4.066 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000493895563 1119507554 /nfs/dbraw/zinc/50/75/54/1119507554.db2.gz YHSOUJPOOXFFFS-GIUOSPMZSA-N 2 1 358.551 4.497 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000493895563 1119507557 /nfs/dbraw/zinc/50/75/57/1119507557.db2.gz YHSOUJPOOXFFFS-GIUOSPMZSA-N 2 1 358.551 4.497 20 0 FIADMP Cc1nc2ccc(C[NH2+]C3CCN(c4ccc(C)c[nH+]4)CC3)cc2s1 ZINC000494099402 1119536809 /nfs/dbraw/zinc/53/68/09/1119536809.db2.gz RTQXWHFQGXIWAN-UHFFFAOYSA-N 2 1 352.507 4.067 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCCCO2 ZINC000183199236 1119568189 /nfs/dbraw/zinc/56/81/89/1119568189.db2.gz PGCFDOKNDJNRLX-JENIJYKNSA-N 2 1 358.526 4.152 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357615 1119854392 /nfs/dbraw/zinc/85/43/92/1119854392.db2.gz JVPCRESZJBOFLP-RBBKRZOGSA-N 2 1 374.532 4.088 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357615 1119854398 /nfs/dbraw/zinc/85/43/98/1119854398.db2.gz JVPCRESZJBOFLP-RBBKRZOGSA-N 2 1 374.532 4.088 20 0 FIADMP CCOc1ccc(C2=CC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)cc1 ZINC000542484350 1119879725 /nfs/dbraw/zinc/87/97/25/1119879725.db2.gz WKNOYUBBMRZJHL-UHFFFAOYSA-N 2 1 374.488 4.264 20 0 FIADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)[C@@H]2C ZINC000542485523 1119932880 /nfs/dbraw/zinc/93/28/80/1119932880.db2.gz POURVGZGJQXGKM-NVXWUHKLSA-N 2 1 362.477 4.092 20 0 FIADMP COc1ccc([C@@H]2CCCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191401620 1119975379 /nfs/dbraw/zinc/97/53/79/1119975379.db2.gz ZNKHXVMLUGWKNU-QHCPKHFHSA-N 2 1 373.585 4.028 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374498 1119981530 /nfs/dbraw/zinc/98/15/30/1119981530.db2.gz XRAFDDDNGBPDSX-TZIWHRDSSA-N 2 1 360.505 4.045 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000195133632 1120120260 /nfs/dbraw/zinc/12/02/60/1120120260.db2.gz ZYHVIROFDURBMO-RXVVDRJESA-N 2 1 368.546 4.344 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494774772 1120184460 /nfs/dbraw/zinc/18/44/60/1120184460.db2.gz LCSBGDPSHBXSFA-LBVMUVSTSA-N 2 1 352.522 4.263 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000193989980 1120226584 /nfs/dbraw/zinc/22/65/84/1120226584.db2.gz ATPIIAJYWZUOLH-NXVRBGIVSA-N 2 1 351.332 4.017 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738044 1120299539 /nfs/dbraw/zinc/29/95/39/1120299539.db2.gz NRGQQYDDYSPTOD-LJQANCHMSA-N 2 1 371.569 4.253 20 0 FIADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000648744543 1120475891 /nfs/dbraw/zinc/47/58/91/1120475891.db2.gz CMLAWOXOWKVJPF-GOSISDBHSA-N 2 1 368.525 4.064 20 0 FIADMP C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495186298 1120532181 /nfs/dbraw/zinc/53/21/81/1120532181.db2.gz WORFMZLOALWTKN-TZIWHRDSSA-N 2 1 356.554 4.226 20 0 FIADMP COC[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000670160978 1120763313 /nfs/dbraw/zinc/76/33/13/1120763313.db2.gz ITWZZECWBUEZBN-OOHWTWPMSA-N 2 1 362.945 4.269 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380982 1120768611 /nfs/dbraw/zinc/76/86/11/1120768611.db2.gz TXVRJVQADCGNPC-KPLVRAHFSA-N 2 1 350.506 4.183 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1F ZINC000495548488 1120882350 /nfs/dbraw/zinc/88/23/50/1120882350.db2.gz QKTSKVNBZAVJOM-IXDOHACOSA-N 2 1 374.475 4.425 20 0 FIADMP Brc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000236688815 1120968716 /nfs/dbraw/zinc/96/87/16/1120968716.db2.gz OAGCQXFCFZYCJN-UHFFFAOYSA-N 2 1 351.332 4.336 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000236826415 1120970316 /nfs/dbraw/zinc/97/03/16/1120970316.db2.gz YVFQGPKOCNOOCP-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000236826415 1120970318 /nfs/dbraw/zinc/97/03/18/1120970318.db2.gz YVFQGPKOCNOOCP-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP CCN(CC)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1Cl ZINC000236888952 1120971267 /nfs/dbraw/zinc/97/12/67/1120971267.db2.gz UPDXYVVQIKNCMF-HXUWFJFHSA-N 2 1 351.966 4.185 20 0 FIADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237146070 1120974038 /nfs/dbraw/zinc/97/40/38/1120974038.db2.gz KRTWHBPBNPCPSU-KDURUIRLSA-N 2 1 352.522 4.148 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000237706183 1120982259 /nfs/dbraw/zinc/98/22/59/1120982259.db2.gz IBTMAXIQGJCJNU-PMACEKPBSA-N 2 1 367.537 4.118 20 0 FIADMP Fc1cc(F)cc(Oc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2)c1 ZINC000237811487 1120984540 /nfs/dbraw/zinc/98/45/40/1120984540.db2.gz BQQMCRYERQIQCU-MRXNPFEDSA-N 2 1 358.432 4.331 20 0 FIADMP Cc1ccc([C@@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762926439 1120998206 /nfs/dbraw/zinc/99/82/06/1120998206.db2.gz JYWLWDCKILXPRZ-QHCPKHFHSA-N 2 1 364.533 4.017 20 0 FIADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Br)c(Cl)c1F ZINC001235717988 1121101338 /nfs/dbraw/zinc/10/13/38/1121101338.db2.gz RARQNXMTVVSEHR-UHFFFAOYSA-N 2 1 363.702 4.063 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000326372058 1121307930 /nfs/dbraw/zinc/30/79/30/1121307930.db2.gz FMUMOYUGIAMTSD-UHFFFAOYSA-N 2 1 351.294 4.019 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC001649048815 1121317082 /nfs/dbraw/zinc/31/70/82/1121317082.db2.gz ZZQYNTSRPSDYTG-TZIWHRDSSA-N 2 1 374.569 4.235 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000123459194 1121577376 /nfs/dbraw/zinc/57/73/76/1121577376.db2.gz DOZOKASRVSEEGR-UGKGYDQZSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000123459194 1121577385 /nfs/dbraw/zinc/57/73/85/1121577385.db2.gz DOZOKASRVSEEGR-UGKGYDQZSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123459194 1121577391 /nfs/dbraw/zinc/57/73/91/1121577391.db2.gz DOZOKASRVSEEGR-UGKGYDQZSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123459194 1121577395 /nfs/dbraw/zinc/57/73/95/1121577395.db2.gz DOZOKASRVSEEGR-UGKGYDQZSA-N 2 1 352.522 4.207 20 0 FIADMP CC(C)Oc1ncccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671741476 1121637066 /nfs/dbraw/zinc/63/70/66/1121637066.db2.gz AQJJJNSKGKFTRX-UHFFFAOYSA-N 2 1 367.537 4.402 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)c1 ZINC000123899775 1121644006 /nfs/dbraw/zinc/64/40/06/1121644006.db2.gz CPNINQADEUDCOK-OAQYLSRUSA-N 2 1 354.494 4.150 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671750339 1121713764 /nfs/dbraw/zinc/71/37/64/1121713764.db2.gz QQCHHVZFVVHROB-KGLIPLIRSA-N 2 1 362.433 4.439 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000063917671 1121727983 /nfs/dbraw/zinc/72/79/83/1121727983.db2.gz ZKLHAIZGHJFTHS-GOSISDBHSA-N 2 1 374.550 4.157 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000916840010 1121882085 /nfs/dbraw/zinc/88/20/85/1121882085.db2.gz VXMYXRZIEYOJFE-MRXNPFEDSA-N 2 1 360.448 4.290 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000765775977 1121971610 /nfs/dbraw/zinc/97/16/10/1121971610.db2.gz OKQXXULIWJQNCG-SFHVURJKSA-N 2 1 362.521 4.483 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccccc3F)cc2)C1 ZINC000917006695 1121999662 /nfs/dbraw/zinc/99/96/62/1121999662.db2.gz UQXFLZGXLSOVHN-IEGUWTFLSA-N 2 1 370.512 4.127 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3F)cc2)C1 ZINC000917009119 1122001866 /nfs/dbraw/zinc/00/18/66/1122001866.db2.gz XXUBUMVOUICRDY-OPAMFIHVSA-N 2 1 374.475 4.020 20 0 FIADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000126863958 1122019680 /nfs/dbraw/zinc/01/96/80/1122019680.db2.gz WVFQAOHPJAGXRY-RDJZCZTQSA-N 2 1 361.580 4.392 20 0 FIADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000126863958 1122019686 /nfs/dbraw/zinc/01/96/86/1122019686.db2.gz WVFQAOHPJAGXRY-RDJZCZTQSA-N 2 1 361.580 4.392 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000765813910 1122110459 /nfs/dbraw/zinc/11/04/59/1122110459.db2.gz GZEBBVRGWCUJKC-YCRPNKLZSA-N 2 1 369.896 4.392 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2CC)CC1 ZINC000066960733 1122115963 /nfs/dbraw/zinc/11/59/63/1122115963.db2.gz WRLPQXMDNFETTL-SFHVURJKSA-N 2 1 359.558 4.020 20 0 FIADMP COc1ccc([C@H]2C[C@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168623442 1122178739 /nfs/dbraw/zinc/17/87/39/1122178739.db2.gz IUXGZRCWBYXNPQ-KTDPBYDISA-N 2 1 372.553 4.430 20 0 FIADMP COc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000128092053 1122189935 /nfs/dbraw/zinc/18/99/35/1122189935.db2.gz CEWCOJMLKYKWQN-QGZVFWFLSA-N 2 1 369.509 4.035 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(OC(C)C)cc3)CC2)[nH+]1 ZINC000128191622 1122202959 /nfs/dbraw/zinc/20/29/59/1122202959.db2.gz IOSVQFLRMMFUDR-SFHVURJKSA-N 2 1 353.510 4.497 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000497409953 1122220945 /nfs/dbraw/zinc/22/09/45/1122220945.db2.gz BWUPZKQLKROGHO-GOUWZUTHSA-N 2 1 364.533 4.264 20 0 FIADMP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000129308042 1122567643 /nfs/dbraw/zinc/56/76/43/1122567643.db2.gz BOYMVNILFJBRNV-WOJBJXKFSA-N 2 1 350.547 4.096 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000129476245 1122610988 /nfs/dbraw/zinc/61/09/88/1122610988.db2.gz USSXHEKNCDBXNQ-NSHDSACASA-N 2 1 354.338 4.156 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000129476245 1122610990 /nfs/dbraw/zinc/61/09/90/1122610990.db2.gz USSXHEKNCDBXNQ-NSHDSACASA-N 2 1 354.338 4.156 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)C[C@H]1c1ccccc1 ZINC000556131840 1122678622 /nfs/dbraw/zinc/67/86/22/1122678622.db2.gz XPFRXZPGHLNBNT-ONTIZHBOSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)C[C@H]1c1ccccc1 ZINC000556131840 1122678626 /nfs/dbraw/zinc/67/86/26/1122678626.db2.gz XPFRXZPGHLNBNT-ONTIZHBOSA-N 2 1 369.940 4.344 20 0 FIADMP CSc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000069833298 1122690125 /nfs/dbraw/zinc/69/01/25/1122690125.db2.gz UDRXLYBRMGWCJJ-HDICACEKSA-N 2 1 370.562 4.308 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178777 1122717898 /nfs/dbraw/zinc/71/78/98/1122717898.db2.gz ISLFBGVYDQMBFL-DENIHFKCSA-N 2 1 366.505 4.036 20 0 FIADMP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194910 1122726682 /nfs/dbraw/zinc/72/66/82/1122726682.db2.gz IQIUTQATWIXTPW-YFNKSVMNSA-N 2 1 364.533 4.290 20 0 FIADMP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194910 1122726688 /nfs/dbraw/zinc/72/66/88/1122726688.db2.gz IQIUTQATWIXTPW-YFNKSVMNSA-N 2 1 364.533 4.290 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233980 1122750259 /nfs/dbraw/zinc/75/02/59/1122750259.db2.gz UJYVMEQNCIFCKZ-DENIHFKCSA-N 2 1 356.554 4.084 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@H]2CCCC[C@H]2O)CC1 ZINC000556263530 1122773324 /nfs/dbraw/zinc/77/33/24/1122773324.db2.gz ZMPNRNZFPOYXLP-WYZYGFAWSA-N 2 1 358.570 4.351 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130564034 1122871810 /nfs/dbraw/zinc/87/18/10/1122871810.db2.gz XEFOIQBSRNPTFH-IRXDYDNUSA-N 2 1 356.514 4.054 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130564034 1122871816 /nfs/dbraw/zinc/87/18/16/1122871816.db2.gz XEFOIQBSRNPTFH-IRXDYDNUSA-N 2 1 356.514 4.054 20 0 FIADMP C[C@@H](CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)[NH+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470943710 1122897067 /nfs/dbraw/zinc/89/70/67/1122897067.db2.gz GTRUJDYHVHAALP-MRTXSQPYSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)[NH+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470943710 1122897073 /nfs/dbraw/zinc/89/70/73/1122897073.db2.gz GTRUJDYHVHAALP-MRTXSQPYSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470943710 1122897080 /nfs/dbraw/zinc/89/70/80/1122897080.db2.gz GTRUJDYHVHAALP-MRTXSQPYSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470943710 1122897084 /nfs/dbraw/zinc/89/70/84/1122897084.db2.gz GTRUJDYHVHAALP-MRTXSQPYSA-N 2 1 360.386 4.310 20 0 FIADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000498809950 1123024443 /nfs/dbraw/zinc/02/44/43/1123024443.db2.gz KSDCORYCLKHNJG-WOIUINJBSA-N 2 1 370.537 4.487 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000498836673 1123039576 /nfs/dbraw/zinc/03/95/76/1123039576.db2.gz QQTNQZPBBUUSCO-SFHVURJKSA-N 2 1 350.547 4.362 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000498836673 1123039581 /nfs/dbraw/zinc/03/95/81/1123039581.db2.gz QQTNQZPBBUUSCO-SFHVURJKSA-N 2 1 350.547 4.362 20 0 FIADMP C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236226519 1123118154 /nfs/dbraw/zinc/11/81/54/1123118154.db2.gz NTURBEJYOVCPAW-UHFFFAOYSA-N 2 1 365.237 4.042 20 0 FIADMP Cc1ccn2cc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)nc2c1 ZINC000556872022 1123155480 /nfs/dbraw/zinc/15/54/80/1123155480.db2.gz VYSYRVFDUCSLEP-UHFFFAOYSA-N 2 1 362.521 4.176 20 0 FIADMP CCc1nn(C)c(CC)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556885848 1123162384 /nfs/dbraw/zinc/16/23/84/1123162384.db2.gz PMBHJQRVOKWYRE-UHFFFAOYSA-N 2 1 368.569 4.078 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000499060960 1123172706 /nfs/dbraw/zinc/17/27/06/1123172706.db2.gz XDDRCYBHBFVBTQ-UHFFFAOYSA-N 2 1 369.488 4.066 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000499060960 1123172708 /nfs/dbraw/zinc/17/27/08/1123172708.db2.gz XDDRCYBHBFVBTQ-UHFFFAOYSA-N 2 1 369.488 4.066 20 0 FIADMP Cc1cccc(CCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000556913181 1123221907 /nfs/dbraw/zinc/22/19/07/1123221907.db2.gz WTCRQXALKDFQOV-UHFFFAOYSA-N 2 1 351.538 4.355 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4(c5ccccn5)CCC4)[C@H]3C2)cc1 ZINC000556925577 1123226702 /nfs/dbraw/zinc/22/67/02/1123226702.db2.gz VGDWAZLWPUJYIH-FKBYEOEOSA-N 2 1 361.533 4.004 20 0 FIADMP Brc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974782 1123288292 /nfs/dbraw/zinc/28/82/92/1123288292.db2.gz JYXZVPZVDVOWON-HNAYVOBHSA-N 2 1 363.343 4.244 20 0 FIADMP Brc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974782 1123288294 /nfs/dbraw/zinc/28/82/94/1123288294.db2.gz JYXZVPZVDVOWON-HNAYVOBHSA-N 2 1 363.343 4.244 20 0 FIADMP CCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499150342 1123293491 /nfs/dbraw/zinc/29/34/91/1123293491.db2.gz XQWCDJVNBRTBKN-DKUWSORSSA-N 2 1 350.506 4.371 20 0 FIADMP CCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499150342 1123293495 /nfs/dbraw/zinc/29/34/95/1123293495.db2.gz XQWCDJVNBRTBKN-DKUWSORSSA-N 2 1 350.506 4.371 20 0 FIADMP COc1cc(C)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499176222 1123308197 /nfs/dbraw/zinc/30/81/97/1123308197.db2.gz LYACUTCXZIRUNH-DKUWSORSSA-N 2 1 350.506 4.289 20 0 FIADMP COc1cc(C)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499176222 1123308204 /nfs/dbraw/zinc/30/82/04/1123308204.db2.gz LYACUTCXZIRUNH-DKUWSORSSA-N 2 1 350.506 4.289 20 0 FIADMP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)s2)cc1 ZINC000557013826 1123308818 /nfs/dbraw/zinc/30/88/18/1123308818.db2.gz KZRICRPFQJQPRW-CEWLAPEOSA-N 2 1 370.562 4.407 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499201978 1123321711 /nfs/dbraw/zinc/32/17/11/1123321711.db2.gz KWEYDIIHLDWHDP-NUNAXRQHSA-N 2 1 364.533 4.413 20 0 FIADMP Fc1ccc(F)c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499237891 1123349441 /nfs/dbraw/zinc/34/94/41/1123349441.db2.gz PIMTWJLRYXSLFT-MZADTFQBSA-N 2 1 356.460 4.293 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)oc2cc1C ZINC000132820707 1123365354 /nfs/dbraw/zinc/36/53/54/1123365354.db2.gz HGTBRPPSYVWPDA-ZWKOTPCHSA-N 2 1 356.510 4.201 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000152637850 1123419496 /nfs/dbraw/zinc/41/94/96/1123419496.db2.gz ZHRDEQUKVZZHKU-GCJKJVERSA-N 2 1 350.506 4.165 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000152640125 1123448368 /nfs/dbraw/zinc/44/83/68/1123448368.db2.gz FKHXPLGPUBIXLD-GCJKJVERSA-N 2 1 350.506 4.165 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000237052193 1123592658 /nfs/dbraw/zinc/59/26/58/1123592658.db2.gz XZOCEAYNDRXMJZ-SFTDATJTSA-N 2 1 366.553 4.188 20 0 FIADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3C(C)C)C2)CC1 ZINC000609338381 1123674372 /nfs/dbraw/zinc/67/43/72/1123674372.db2.gz ARRUUXORIRORMF-QFIPXVFZSA-N 2 1 357.586 4.145 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568043 1124050528 /nfs/dbraw/zinc/05/05/28/1124050528.db2.gz YKLLDMDYGGBNPM-HXUWFJFHSA-N 2 1 365.521 4.103 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568043 1124050540 /nfs/dbraw/zinc/05/05/40/1124050540.db2.gz YKLLDMDYGGBNPM-HXUWFJFHSA-N 2 1 365.521 4.103 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568043 1124050549 /nfs/dbraw/zinc/05/05/49/1124050549.db2.gz YKLLDMDYGGBNPM-HXUWFJFHSA-N 2 1 365.521 4.103 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568043 1124050558 /nfs/dbraw/zinc/05/05/58/1124050558.db2.gz YKLLDMDYGGBNPM-HXUWFJFHSA-N 2 1 365.521 4.103 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)C[C@H](C)O1 ZINC000237781223 1124075422 /nfs/dbraw/zinc/07/54/22/1124075422.db2.gz WWUDQVPUDANEND-HDICACEKSA-N 2 1 363.505 4.067 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245626884 1124150112 /nfs/dbraw/zinc/15/01/12/1124150112.db2.gz QWTUVXYWFGIVOB-XYEHWOGUSA-N 2 1 354.538 4.149 20 0 FIADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245687159 1124195773 /nfs/dbraw/zinc/19/57/73/1124195773.db2.gz JSYFDZQTRXCCOG-BKFWDETESA-N 3 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245687159 1124195782 /nfs/dbraw/zinc/19/57/82/1124195782.db2.gz JSYFDZQTRXCCOG-BKFWDETESA-N 2 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245687159 1124195790 /nfs/dbraw/zinc/19/57/90/1124195790.db2.gz JSYFDZQTRXCCOG-BKFWDETESA-N 2 1 363.549 4.033 20 0 FIADMP COc1ccccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245689303 1124201108 /nfs/dbraw/zinc/20/11/08/1124201108.db2.gz KBBYHZGCHCPMMX-KOUNCHBCSA-N 2 1 350.506 4.023 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245756045 1124241271 /nfs/dbraw/zinc/24/12/71/1124241271.db2.gz UWDSUTWGZVLODV-JOZNFPNDSA-N 3 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245756045 1124241274 /nfs/dbraw/zinc/24/12/74/1124241274.db2.gz UWDSUTWGZVLODV-JOZNFPNDSA-N 2 1 363.549 4.033 20 0 FIADMP C[NH+](C)Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245756045 1124241276 /nfs/dbraw/zinc/24/12/76/1124241276.db2.gz UWDSUTWGZVLODV-JOZNFPNDSA-N 2 1 363.549 4.033 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000765881159 1124326929 /nfs/dbraw/zinc/32/69/29/1124326929.db2.gz NMYMKODQZMAEFV-NGXZDTIWSA-N 2 1 374.528 4.373 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000246134636 1124366298 /nfs/dbraw/zinc/36/62/98/1124366298.db2.gz RNVBPUQKIMFVLY-FDDCHVKYSA-N 2 1 350.506 4.148 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000246134636 1124366304 /nfs/dbraw/zinc/36/63/04/1124366304.db2.gz RNVBPUQKIMFVLY-FDDCHVKYSA-N 2 1 350.506 4.148 20 0 FIADMP Cc1ncc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1-c1ccccc1 ZINC000084018089 1124560373 /nfs/dbraw/zinc/56/03/73/1124560373.db2.gz ZRNLWWVTHCYJON-UHFFFAOYSA-N 2 1 362.521 4.311 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247008282 1124580766 /nfs/dbraw/zinc/58/07/66/1124580766.db2.gz XFDGMJFNGQYZQR-PGRDOPGGSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247008282 1124580774 /nfs/dbraw/zinc/58/07/74/1124580774.db2.gz XFDGMJFNGQYZQR-PGRDOPGGSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247008282 1124580781 /nfs/dbraw/zinc/58/07/81/1124580781.db2.gz XFDGMJFNGQYZQR-PGRDOPGGSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247008282 1124580789 /nfs/dbraw/zinc/58/07/89/1124580789.db2.gz XFDGMJFNGQYZQR-PGRDOPGGSA-N 2 1 363.505 4.323 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000247110005 1124591434 /nfs/dbraw/zinc/59/14/34/1124591434.db2.gz QLCPMLXACPDFMO-IAGOWNOFSA-N 2 1 364.530 4.018 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000247233870 1124601676 /nfs/dbraw/zinc/60/16/76/1124601676.db2.gz YLRGIQDUCOUXKQ-VQTJNVASSA-N 2 1 354.542 4.094 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cc(C)ccc43)CC2)oc1C ZINC000765933137 1124727457 /nfs/dbraw/zinc/72/74/57/1124727457.db2.gz WMAWVZXJTHEDAA-OAQYLSRUSA-N 2 1 353.510 4.089 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(OC)c1 ZINC000247952705 1124733826 /nfs/dbraw/zinc/73/38/26/1124733826.db2.gz FFFRLKCZSQGSRX-CKJXQJPGSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(OC)c1 ZINC000247952705 1124733833 /nfs/dbraw/zinc/73/38/33/1124733833.db2.gz FFFRLKCZSQGSRX-CKJXQJPGSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000247971804 1124734795 /nfs/dbraw/zinc/73/47/95/1124734795.db2.gz HKIYKLDEBJUXKO-ZQIUZPCESA-N 2 1 359.539 4.260 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1 ZINC000247971804 1124734798 /nfs/dbraw/zinc/73/47/98/1124734798.db2.gz HKIYKLDEBJUXKO-ZQIUZPCESA-N 2 1 359.539 4.260 20 0 FIADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248001215 1124736827 /nfs/dbraw/zinc/73/68/27/1124736827.db2.gz KKMHAEVLYACEAZ-HKUYNNGSSA-N 2 1 350.572 4.075 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000248047828 1124739995 /nfs/dbraw/zinc/73/99/95/1124739995.db2.gz VNWCCVZKFKNFLC-CVEARBPZSA-N 2 1 358.555 4.429 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000248047828 1124739999 /nfs/dbraw/zinc/73/99/99/1124739999.db2.gz VNWCCVZKFKNFLC-CVEARBPZSA-N 2 1 358.555 4.429 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccs1 ZINC000248443174 1124769310 /nfs/dbraw/zinc/76/93/10/1124769310.db2.gz LIGITNKMTSMPKS-UXHICEINSA-N 2 1 358.551 4.192 20 0 FIADMP Clc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000248961370 1124830526 /nfs/dbraw/zinc/83/05/26/1124830526.db2.gz BEBPRBNURUORCJ-ULQDDVLXSA-N 2 1 368.352 4.179 20 0 FIADMP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248991576 1124834093 /nfs/dbraw/zinc/83/40/93/1124834093.db2.gz NNRSJSSTZJWRMR-MZADTFQBSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248991576 1124834096 /nfs/dbraw/zinc/83/40/96/1124834096.db2.gz NNRSJSSTZJWRMR-MZADTFQBSA-N 2 1 354.469 4.120 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000249193774 1124849634 /nfs/dbraw/zinc/84/96/34/1124849634.db2.gz PJFVJUOWVKYLQJ-HTAPYJJXSA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000249193774 1124849644 /nfs/dbraw/zinc/84/96/44/1124849644.db2.gz PJFVJUOWVKYLQJ-HTAPYJJXSA-N 2 1 356.485 4.287 20 0 FIADMP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089594368 1124916119 /nfs/dbraw/zinc/91/61/19/1124916119.db2.gz HGOIUNJCQHIJJD-FGZHOGPDSA-N 2 1 356.554 4.023 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000542942035 1124935507 /nfs/dbraw/zinc/93/55/07/1124935507.db2.gz JDEFFUFKCYIHEG-UHFFFAOYSA-N 2 1 374.504 4.210 20 0 FIADMP Cc1nc2ccccc2nc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476976124 1125004678 /nfs/dbraw/zinc/00/46/78/1125004678.db2.gz VNIPEFBUZKDWAY-SFHVURJKSA-N 2 1 366.553 4.415 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000090879465 1125024838 /nfs/dbraw/zinc/02/48/38/1125024838.db2.gz AKOZALRVAYZWON-DLBZAZTESA-N 2 1 372.476 4.173 20 0 FIADMP C[C@H](c1cccc(O)c1)[NH+](C)C/C=C\C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000255165598 1125209148 /nfs/dbraw/zinc/20/91/48/1125209148.db2.gz CIQQRCAGPRWCLO-OSFIAYCASA-N 2 1 354.494 4.340 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000521430104 568030238 /nfs/dbraw/zinc/03/02/38/568030238.db2.gz OBCRNRFUCZFYCW-INIZCTEOSA-N 2 1 365.949 4.111 20 0 FIADMP CC(C)n1cc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119879 568224699 /nfs/dbraw/zinc/22/46/99/568224699.db2.gz LGSZXLZLMPKUCJ-RXVVDRJESA-N 2 1 352.526 4.312 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120166 568224923 /nfs/dbraw/zinc/22/49/23/568224923.db2.gz UUMJQEUDBRBVEO-PKTZIBPZSA-N 2 1 364.533 4.031 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120166 568224924 /nfs/dbraw/zinc/22/49/24/568224924.db2.gz UUMJQEUDBRBVEO-PKTZIBPZSA-N 2 1 364.533 4.031 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000604418257 568276263 /nfs/dbraw/zinc/27/62/63/568276263.db2.gz NZWMTEKFNOFWCZ-DENIHFKCSA-N 2 1 370.537 4.482 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000604418257 568276264 /nfs/dbraw/zinc/27/62/64/568276264.db2.gz NZWMTEKFNOFWCZ-DENIHFKCSA-N 2 1 370.537 4.482 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626553 719049704 /nfs/dbraw/zinc/04/97/04/719049704.db2.gz SFSRJCSAZXRSOW-WIYYLYMNSA-N 2 1 355.913 4.049 20 0 FIADMP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626553 719049708 /nfs/dbraw/zinc/04/97/08/719049708.db2.gz SFSRJCSAZXRSOW-WIYYLYMNSA-N 2 1 355.913 4.049 20 0 FIADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCCCC2)cc1 ZINC000765972540 1125518264 /nfs/dbraw/zinc/51/82/64/1125518264.db2.gz ALZTYGHSGLLMND-BJKOFHAPSA-N 2 1 370.581 4.411 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000579744268 1079607291 /nfs/dbraw/zinc/60/72/91/1079607291.db2.gz YGCGUXVJAZVIFV-MGPQQGTHSA-N 2 1 371.388 4.251 20 0 FIADMP CCC(CC)[N@@H+](C[C@@H]1CCCN(C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614978 1080016970 /nfs/dbraw/zinc/01/69/70/1080016970.db2.gz GJJZRYNJGZMXSN-JOCHJYFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614978 1080016978 /nfs/dbraw/zinc/01/69/78/1080016978.db2.gz GJJZRYNJGZMXSN-JOCHJYFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614978 1080016987 /nfs/dbraw/zinc/01/69/87/1080016987.db2.gz GJJZRYNJGZMXSN-JOCHJYFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614978 1080016997 /nfs/dbraw/zinc/01/69/97/1080016997.db2.gz GJJZRYNJGZMXSN-JOCHJYFZSA-N 2 1 371.613 4.483 20 0 FIADMP CCC(CC)[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC001208614978 1080017007 /nfs/dbraw/zinc/01/70/07/1080017007.db2.gz GJJZRYNJGZMXSN-JOCHJYFZSA-N 2 1 371.613 4.483 20 0 FIADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000012921139 1080258961 /nfs/dbraw/zinc/25/89/61/1080258961.db2.gz WFCCSFZEZHKGGQ-UHFFFAOYSA-N 2 1 374.532 4.091 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@H]3CCc4[nH]c5ccc(C)cc5c4C3)CC2)[nH+]c1 ZINC000180622159 1080528584 /nfs/dbraw/zinc/52/85/84/1080528584.db2.gz QWVYVDMKYCJFJA-IBGZPJMESA-N 2 1 374.532 4.296 20 0 FIADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000180797957 1080549366 /nfs/dbraw/zinc/54/93/66/1080549366.db2.gz JEJMCLQALCFWFL-UHFFFAOYSA-N 2 1 366.461 4.302 20 0 FIADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)ccc1OCc1ccccc1 ZINC000120783443 1080651693 /nfs/dbraw/zinc/65/16/93/1080651693.db2.gz KJLKBTJWAJJFPH-NRFANRHFSA-N 2 1 368.521 4.096 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117312 1080788389 /nfs/dbraw/zinc/78/83/89/1080788389.db2.gz GDRCECOQIDCALW-PDIWNELESA-N 2 1 350.506 4.183 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117312 1080788393 /nfs/dbraw/zinc/78/83/93/1080788393.db2.gz GDRCECOQIDCALW-PDIWNELESA-N 2 1 350.506 4.183 20 0 FIADMP Cc1ccc([C@H](NC2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703817 1081125481 /nfs/dbraw/zinc/12/54/81/1081125481.db2.gz LURRSRRLPPAJLY-LADGPHEKSA-N 2 1 364.533 4.236 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000655719946 1081133146 /nfs/dbraw/zinc/13/31/46/1081133146.db2.gz XSXVFXLYSCYSCE-FDDCHVKYSA-N 2 1 365.521 4.043 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000655728068 1081146235 /nfs/dbraw/zinc/14/62/35/1081146235.db2.gz ULRATENSEZUISK-HNNXBMFYSA-N 2 1 371.352 4.114 20 0 FIADMP Cc1ccc(-c2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)cc1 ZINC000655733424 1081149711 /nfs/dbraw/zinc/14/97/11/1081149711.db2.gz NCTROAARFFPXNT-HSZRJFAPSA-N 2 1 350.506 4.005 20 0 FIADMP CC(C)(C)c1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655738784 1081158494 /nfs/dbraw/zinc/15/84/94/1081158494.db2.gz YDYVQMPABBFRIZ-NRFANRHFSA-N 2 1 358.570 4.105 20 0 FIADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655753154 1081171709 /nfs/dbraw/zinc/17/17/09/1081171709.db2.gz WTCOQZYJIFZYJW-QFIPXVFZSA-N 2 1 356.554 4.023 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)C3)cc1 ZINC000655788840 1081201663 /nfs/dbraw/zinc/20/16/63/1081201663.db2.gz PYZDMZDNWMKKNY-SPHOGXRMSA-N 2 1 354.538 4.119 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC001648817035 1081239356 /nfs/dbraw/zinc/23/93/56/1081239356.db2.gz RMDLWOMVWFEBDL-KRWDZBQOSA-N 2 1 358.505 4.064 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000121426710 1081243289 /nfs/dbraw/zinc/24/32/89/1081243289.db2.gz KWYOAGBZBWJDOH-NWDGAFQWSA-N 2 1 354.267 4.080 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000655850005 1081259239 /nfs/dbraw/zinc/25/92/39/1081259239.db2.gz AYPLYTVRUJWKQM-VDGAXYAQSA-N 2 1 358.526 4.152 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC001648835249 1081276782 /nfs/dbraw/zinc/27/67/82/1081276782.db2.gz GENFRZRGMAPXEE-UHFFFAOYSA-N 2 1 366.933 4.101 20 0 FIADMP CCSc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000547979461 1081316328 /nfs/dbraw/zinc/31/63/28/1081316328.db2.gz QYUKPSSLLQGEJC-XLIONFOSSA-N 2 1 355.551 4.194 20 0 FIADMP CSc1cc(Br)ccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001648882613 1081342628 /nfs/dbraw/zinc/34/26/28/1081342628.db2.gz YSPJLPLYKDTYQP-AWEZNQCLSA-N 2 1 371.388 4.383 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cccc2nccn21)C1CCCCC1 ZINC001648891703 1081354927 /nfs/dbraw/zinc/35/49/27/1081354927.db2.gz PPJUABNERIEAED-UHFFFAOYSA-N 2 1 362.521 4.389 20 0 FIADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000312591119 1081374942 /nfs/dbraw/zinc/37/49/42/1081374942.db2.gz WZLUJVYYWSHAKI-UHFFFAOYSA-N 2 1 362.517 4.248 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816218 1081618486 /nfs/dbraw/zinc/61/84/86/1081618486.db2.gz NBZSUICJKYXKQM-NWSQWKLXSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245633 1081771665 /nfs/dbraw/zinc/77/16/65/1081771665.db2.gz XOMKYDQZIMBHMN-IAQYHMDHSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245633 1081771680 /nfs/dbraw/zinc/77/16/80/1081771680.db2.gz XOMKYDQZIMBHMN-IAQYHMDHSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245633 1081771693 /nfs/dbraw/zinc/77/16/93/1081771693.db2.gz XOMKYDQZIMBHMN-IAQYHMDHSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245633 1081771703 /nfs/dbraw/zinc/77/17/03/1081771703.db2.gz XOMKYDQZIMBHMN-IAQYHMDHSA-N 2 1 368.365 4.496 20 0 FIADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249320 1081779931 /nfs/dbraw/zinc/77/99/31/1081779931.db2.gz CICCOUJTKOCEOC-CVDCTZTESA-N 2 1 350.506 4.053 20 0 FIADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483440 1081971003 /nfs/dbraw/zinc/97/10/03/1081971003.db2.gz FERVUFQXSBLOQC-WIYYLYMNSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483440 1081971004 /nfs/dbraw/zinc/97/10/04/1081971004.db2.gz FERVUFQXSBLOQC-WIYYLYMNSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483440 1081971007 /nfs/dbraw/zinc/97/10/07/1081971007.db2.gz FERVUFQXSBLOQC-WIYYLYMNSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483440 1081971008 /nfs/dbraw/zinc/97/10/08/1081971008.db2.gz FERVUFQXSBLOQC-WIYYLYMNSA-N 2 1 368.521 4.046 20 0 FIADMP Brc1c2ccccc2oc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000656251762 1082017875 /nfs/dbraw/zinc/01/78/75/1082017875.db2.gz OARKEVVUARBDDG-UHFFFAOYSA-N 2 1 360.255 4.298 20 0 FIADMP Clc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)co2)cc1 ZINC000047971557 1082043869 /nfs/dbraw/zinc/04/38/69/1082043869.db2.gz ADHMKAIQTZZOEQ-UHFFFAOYSA-N 2 1 359.901 4.303 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638070 1082060297 /nfs/dbraw/zinc/06/02/97/1082060297.db2.gz QAHCDRGUGOSIFU-KNQAVFIVSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638070 1082060306 /nfs/dbraw/zinc/06/03/06/1082060306.db2.gz QAHCDRGUGOSIFU-KNQAVFIVSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638070 1082060314 /nfs/dbraw/zinc/06/03/14/1082060314.db2.gz QAHCDRGUGOSIFU-KNQAVFIVSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638070 1082060328 /nfs/dbraw/zinc/06/03/28/1082060328.db2.gz QAHCDRGUGOSIFU-KNQAVFIVSA-N 2 1 367.537 4.049 20 0 FIADMP C[NH+](C)CCc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581489004 1082618164 /nfs/dbraw/zinc/61/81/64/1082618164.db2.gz JJNFSBKKKPZMJW-HSZRJFAPSA-N 2 1 363.549 4.400 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171287 1082772738 /nfs/dbraw/zinc/77/27/38/1082772738.db2.gz DWSYSRXXEMEJEB-JTHBVZDNSA-N 2 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171287 1082772742 /nfs/dbraw/zinc/77/27/42/1082772742.db2.gz DWSYSRXXEMEJEB-JTHBVZDNSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171287 1082772746 /nfs/dbraw/zinc/77/27/46/1082772746.db2.gz DWSYSRXXEMEJEB-JTHBVZDNSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171287 1082772747 /nfs/dbraw/zinc/77/27/47/1082772747.db2.gz DWSYSRXXEMEJEB-JTHBVZDNSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171287 1082772751 /nfs/dbraw/zinc/77/27/51/1082772751.db2.gz DWSYSRXXEMEJEB-JTHBVZDNSA-N 3 1 369.597 4.285 20 0 FIADMP Cc1[nH+]ccn1CCCS[C@@H](C)[C@H](C)SCCCn1cc[nH+]c1C ZINC000276536259 1082859828 /nfs/dbraw/zinc/85/98/28/1082859828.db2.gz GSQGUEIZZLZRRH-HOTGVXAUSA-N 2 1 366.600 4.420 20 0 FIADMP COC[C@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000559095522 1082902007 /nfs/dbraw/zinc/90/20/07/1082902007.db2.gz ZJLVBAAOEGNECP-BUHWKMJWSA-N 2 1 350.934 4.126 20 0 FIADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC001167483213 1082902060 /nfs/dbraw/zinc/90/20/60/1082902060.db2.gz LNUUGGIJRROCTQ-YOEHRIQHSA-N 2 1 353.445 4.058 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCSC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130379453 1082919741 /nfs/dbraw/zinc/91/97/41/1082919741.db2.gz ZDAXOPCWIBHVSS-OIISXLGYSA-N 2 1 358.473 4.183 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCSC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130379453 1082919744 /nfs/dbraw/zinc/91/97/44/1082919744.db2.gz ZDAXOPCWIBHVSS-OIISXLGYSA-N 2 1 358.473 4.183 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC23CC3)cc1 ZINC000647196890 1083002501 /nfs/dbraw/zinc/00/25/01/1083002501.db2.gz RHXNPEYSLKKMOW-CBPXPLCBSA-N 2 1 366.549 4.121 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC23CC3)cc1 ZINC000647196890 1083002506 /nfs/dbraw/zinc/00/25/06/1083002506.db2.gz RHXNPEYSLKKMOW-CBPXPLCBSA-N 2 1 366.549 4.121 20 0 FIADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000089210430 1083240004 /nfs/dbraw/zinc/24/00/04/1083240004.db2.gz AWYMJMXKXPKHOE-YSSFQJQWSA-N 2 1 350.934 4.006 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000548427664 1083298046 /nfs/dbraw/zinc/29/80/46/1083298046.db2.gz XGNFURTYHORUTP-SYQHCUMBSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCC[NH+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000548427664 1083298049 /nfs/dbraw/zinc/29/80/49/1083298049.db2.gz XGNFURTYHORUTP-SYQHCUMBSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCCC[NH+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000548427664 1083298051 /nfs/dbraw/zinc/29/80/51/1083298051.db2.gz XGNFURTYHORUTP-SYQHCUMBSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCSCC1 ZINC000658319169 1083406628 /nfs/dbraw/zinc/40/66/28/1083406628.db2.gz XWYDAVIWOOFKDC-WIYYLYMNSA-N 2 1 358.595 4.410 20 0 FIADMP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000092559328 1083438100 /nfs/dbraw/zinc/43/81/00/1083438100.db2.gz XTMSDLSYPBTWSE-UHFFFAOYSA-N 2 1 372.553 4.141 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481575 1083463991 /nfs/dbraw/zinc/46/39/91/1083463991.db2.gz PEFGBAMCPHPZKJ-WEYGHZABSA-N 2 1 356.485 4.013 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481575 1083464002 /nfs/dbraw/zinc/46/40/02/1083464002.db2.gz PEFGBAMCPHPZKJ-WEYGHZABSA-N 2 1 356.485 4.013 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481574 1083464562 /nfs/dbraw/zinc/46/45/62/1083464562.db2.gz PEFGBAMCPHPZKJ-AGHHOFFYSA-N 2 1 356.485 4.013 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481574 1083464570 /nfs/dbraw/zinc/46/45/70/1083464570.db2.gz PEFGBAMCPHPZKJ-AGHHOFFYSA-N 2 1 356.485 4.013 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179501681 1083484032 /nfs/dbraw/zinc/48/40/32/1083484032.db2.gz ZMDIMWVCJFAEMT-RNODOKPDSA-N 2 1 373.859 4.357 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000510935785 1083510102 /nfs/dbraw/zinc/51/01/02/1083510102.db2.gz TUZYXQGVVUGZBY-STQMWFEESA-N 2 1 356.297 4.334 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000510946559 1083523918 /nfs/dbraw/zinc/52/39/18/1083523918.db2.gz PDICQBZTSXSEHI-INIZCTEOSA-N 2 1 368.706 4.275 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000510965148 1083546918 /nfs/dbraw/zinc/54/69/18/1083546918.db2.gz YWZASGIAEISBNS-HNNXBMFYSA-N 2 1 366.328 4.171 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000535668004 1083564779 /nfs/dbraw/zinc/56/47/79/1083564779.db2.gz JPNOCJVYMZVFOE-UHFFFAOYSA-N 2 1 369.431 4.272 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000535668004 1083564787 /nfs/dbraw/zinc/56/47/87/1083564787.db2.gz JPNOCJVYMZVFOE-UHFFFAOYSA-N 2 1 369.431 4.272 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c2C1 ZINC000236720975 1083973007 /nfs/dbraw/zinc/97/30/07/1083973007.db2.gz LAPMCMBFUCWNNV-HXUWFJFHSA-N 2 1 351.494 4.077 20 0 FIADMP Clc1ccc(C[C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000511381873 1084101975 /nfs/dbraw/zinc/10/19/75/1084101975.db2.gz KFGUYLILJBXOGV-OAQYLSRUSA-N 2 1 357.929 4.484 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000511038156 1084308512 /nfs/dbraw/zinc/30/85/12/1084308512.db2.gz NVPPVOLTAXCSGU-QIJUGHKUSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000511038156 1084308526 /nfs/dbraw/zinc/30/85/26/1084308526.db2.gz NVPPVOLTAXCSGU-QIJUGHKUSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000431755846 1084409548 /nfs/dbraw/zinc/40/95/48/1084409548.db2.gz DWRSWJJOIHACBY-RXVVDRJESA-N 2 1 357.542 4.122 20 0 FIADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431755846 1084409551 /nfs/dbraw/zinc/40/95/51/1084409551.db2.gz DWRSWJJOIHACBY-RXVVDRJESA-N 2 1 357.542 4.122 20 0 FIADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431755846 1084409559 /nfs/dbraw/zinc/40/95/59/1084409559.db2.gz DWRSWJJOIHACBY-RXVVDRJESA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657312873 1084449200 /nfs/dbraw/zinc/44/92/00/1084449200.db2.gz OXLAUKROGBKWER-HDICACEKSA-N 2 1 366.553 4.065 20 0 FIADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](C3CCCC3)CC1)CCC2 ZINC000431355062 1084624997 /nfs/dbraw/zinc/62/49/97/1084624997.db2.gz YEUDBRWEVVKDQC-QFIPXVFZSA-N 2 1 354.538 4.386 20 0 FIADMP c1csc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)c1 ZINC000657360623 1084723745 /nfs/dbraw/zinc/72/37/45/1084723745.db2.gz NFAKFAGIORRZAL-HXUWFJFHSA-N 2 1 356.535 4.148 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000414173487 1084738969 /nfs/dbraw/zinc/73/89/69/1084738969.db2.gz FSFJQVJXAJLVNI-UWJYYQICSA-N 2 1 357.929 4.340 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000414173475 1084739145 /nfs/dbraw/zinc/73/91/45/1084739145.db2.gz FSFJQVJXAJLVNI-DYESRHJHSA-N 2 1 357.929 4.340 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366244 1084751136 /nfs/dbraw/zinc/75/11/36/1084751136.db2.gz KHBWHTXLBOMYTL-LULLPPNCSA-N 2 1 370.459 4.245 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366244 1084751143 /nfs/dbraw/zinc/75/11/43/1084751143.db2.gz KHBWHTXLBOMYTL-LULLPPNCSA-N 2 1 370.459 4.245 20 0 FIADMP COCc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000657461235 1085124505 /nfs/dbraw/zinc/12/45/05/1085124505.db2.gz FWSGWOZQVKYZTK-FQEVSTJZSA-N 2 1 358.551 4.285 20 0 FIADMP COCc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000657461235 1085124509 /nfs/dbraw/zinc/12/45/09/1085124509.db2.gz FWSGWOZQVKYZTK-FQEVSTJZSA-N 2 1 358.551 4.285 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2sccc21 ZINC000582587966 1085199878 /nfs/dbraw/zinc/19/98/78/1085199878.db2.gz OCFJRRNHVKWQMU-DUXKGJEZSA-N 2 1 369.578 4.265 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000161337190 1085232584 /nfs/dbraw/zinc/23/25/84/1085232584.db2.gz BFEPAEYVXHKUHL-UHFFFAOYSA-N 2 1 372.553 4.226 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684954690 1085299754 /nfs/dbraw/zinc/29/97/54/1085299754.db2.gz CRLMXRLSXFZDRM-AVRDEDQJSA-N 2 1 368.496 4.323 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651720623 1085412061 /nfs/dbraw/zinc/41/20/61/1085412061.db2.gz GKRSYZYIHYXSFU-HSALFYBXSA-N 2 1 367.537 4.289 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000075007647 1085510134 /nfs/dbraw/zinc/51/01/34/1085510134.db2.gz WRSORZKGPNUCKL-UHFFFAOYSA-N 2 1 373.566 4.133 20 0 FIADMP Clc1ccc2c(NC3CC[NH+](Cc4ccccn4)CC3)cc[nH+]c2c1 ZINC000076836213 1085581802 /nfs/dbraw/zinc/58/18/02/1085581802.db2.gz NCZPILCVZKZGKZ-UHFFFAOYSA-N 2 1 352.869 4.360 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000236871092 1085631999 /nfs/dbraw/zinc/63/19/99/1085631999.db2.gz OQENPMOBOWCHJH-QGZVFWFLSA-N 2 1 366.534 4.032 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc(Cl)c2Cl)C[C@H](C)O1 ZINC000432229642 1085687183 /nfs/dbraw/zinc/68/71/83/1085687183.db2.gz SPHSWGFJXDZCSO-TXEJJXNPSA-N 2 1 351.343 4.034 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000047977299 1085753467 /nfs/dbraw/zinc/75/34/67/1085753467.db2.gz HJUQCMDLKZZTHW-UHFFFAOYSA-N 2 1 359.558 4.111 20 0 FIADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000161420301 1085773791 /nfs/dbraw/zinc/77/37/91/1085773791.db2.gz WWLOGZKPXRHTOM-IBGZPJMESA-N 2 1 371.352 4.414 20 0 FIADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000582854279 1085831288 /nfs/dbraw/zinc/83/12/88/1085831288.db2.gz VZQIMUPKKNSMSB-UHFFFAOYSA-N 2 1 367.415 4.131 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOc3ccccc3F)C2)s1 ZINC000582871870 1085859756 /nfs/dbraw/zinc/85/97/56/1085859756.db2.gz MOLLNCFDVWKVJN-QGZVFWFLSA-N 2 1 362.514 4.028 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOc3ccccc3F)C2)s1 ZINC000582871870 1085859767 /nfs/dbraw/zinc/85/97/67/1085859767.db2.gz MOLLNCFDVWKVJN-QGZVFWFLSA-N 2 1 362.514 4.028 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOc3ccccc3F)C2)s1 ZINC000582871870 1085859775 /nfs/dbraw/zinc/85/97/75/1085859775.db2.gz MOLLNCFDVWKVJN-QGZVFWFLSA-N 2 1 362.514 4.028 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOc3ccccc3F)C2)s1 ZINC000582871870 1085859782 /nfs/dbraw/zinc/85/97/82/1085859782.db2.gz MOLLNCFDVWKVJN-QGZVFWFLSA-N 2 1 362.514 4.028 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)C1 ZINC000652348697 1085924177 /nfs/dbraw/zinc/92/41/77/1085924177.db2.gz NVZVQCSMMNRVLT-ZRBLBEILSA-N 2 1 356.554 4.453 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(Cc3ccccc3)CCCCC2)s1 ZINC000511911476 1085957418 /nfs/dbraw/zinc/95/74/18/1085957418.db2.gz PXNMHJYAOGTEBX-UHFFFAOYSA-N 2 1 357.567 4.488 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000121426529 1085959240 /nfs/dbraw/zinc/95/92/40/1085959240.db2.gz KWYOAGBZBWJDOH-NEPJUHHUSA-N 2 1 354.267 4.080 20 0 FIADMP c1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)onc1-c1ccccc1 ZINC000582957378 1085961845 /nfs/dbraw/zinc/96/18/45/1085961845.db2.gz UAVYKYVMJANYLU-FCHUYYIVSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)onc1-c1ccccc1 ZINC000582957378 1085961852 /nfs/dbraw/zinc/96/18/52/1085961852.db2.gz UAVYKYVMJANYLU-FCHUYYIVSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)onc1-c1ccccc1 ZINC000582957378 1085961854 /nfs/dbraw/zinc/96/18/54/1085961854.db2.gz UAVYKYVMJANYLU-FCHUYYIVSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)onc1-c1ccccc1 ZINC000582957378 1085961855 /nfs/dbraw/zinc/96/18/55/1085961855.db2.gz UAVYKYVMJANYLU-FCHUYYIVSA-N 2 1 373.500 4.296 20 0 FIADMP CN(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC001167646578 1086009743 /nfs/dbraw/zinc/00/97/43/1086009743.db2.gz FKJDLBKNWSNSFQ-ISKFKSNPSA-N 2 1 363.549 4.109 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@H]21 ZINC001167648329 1086027607 /nfs/dbraw/zinc/02/76/07/1086027607.db2.gz SMCFXJIYYUDDTP-NZQKXSOJSA-N 2 1 368.496 4.321 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@H]21 ZINC001167648329 1086027619 /nfs/dbraw/zinc/02/76/19/1086027619.db2.gz SMCFXJIYYUDDTP-NZQKXSOJSA-N 2 1 368.496 4.321 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@H]21 ZINC001167648329 1086027629 /nfs/dbraw/zinc/02/76/29/1086027629.db2.gz SMCFXJIYYUDDTP-NZQKXSOJSA-N 2 1 368.496 4.321 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000583170633 1086346548 /nfs/dbraw/zinc/34/65/48/1086346548.db2.gz GIMHWUJKYQQGLU-UHFFFAOYSA-N 2 1 371.916 4.197 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000583170633 1086346562 /nfs/dbraw/zinc/34/65/62/1086346562.db2.gz GIMHWUJKYQQGLU-UHFFFAOYSA-N 2 1 371.916 4.197 20 0 FIADMP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001167658187 1086376761 /nfs/dbraw/zinc/37/67/61/1086376761.db2.gz CIRPTGXYDUSHSU-PKOBYXMFSA-N 2 1 352.563 4.083 20 0 FIADMP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001167658187 1086376775 /nfs/dbraw/zinc/37/67/75/1086376775.db2.gz CIRPTGXYDUSHSU-PKOBYXMFSA-N 2 1 352.563 4.083 20 0 FIADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662295111 1086399513 /nfs/dbraw/zinc/39/95/13/1086399513.db2.gz SXGGNXVIHUJBDS-KRWDZBQOSA-N 2 1 371.550 4.030 20 0 FIADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)c1 ZINC000662315623 1086412004 /nfs/dbraw/zinc/41/20/04/1086412004.db2.gz UMOZUFVKCMUTIB-DNVCBOLYSA-N 2 1 359.539 4.158 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1CCC[NH3+] ZINC000662316532 1086414749 /nfs/dbraw/zinc/41/47/49/1086414749.db2.gz WSVQTWKDLVWVNN-XMSQKQJNSA-N 2 1 365.521 4.278 20 0 FIADMP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326733 1086419023 /nfs/dbraw/zinc/41/90/23/1086419023.db2.gz AYMXWXSHJCPEKN-CQSZACIVSA-N 2 1 374.479 4.096 20 0 FIADMP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327712 1086419067 /nfs/dbraw/zinc/41/90/67/1086419067.db2.gz LJKINXUYFMWJAO-CQSZACIVSA-N 2 1 374.479 4.096 20 0 FIADMP FC(F)c1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327524 1086419113 /nfs/dbraw/zinc/41/91/13/1086419113.db2.gz QQCGBOWQGAWBPO-UHFFFAOYSA-N 2 1 374.479 4.194 20 0 FIADMP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(Cl)c1 ZINC000662326867 1086419235 /nfs/dbraw/zinc/41/92/35/1086419235.db2.gz FOHCFNPPZXSLPO-UHFFFAOYSA-N 2 1 372.944 4.218 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCSc4ccccc43)CC2)oc1C ZINC000162737987 1086450242 /nfs/dbraw/zinc/45/02/42/1086450242.db2.gz CFWSNZMNTMLFRO-LJQANCHMSA-N 2 1 371.550 4.330 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Br)cs1 ZINC000663465833 1086565614 /nfs/dbraw/zinc/56/56/14/1086565614.db2.gz LRVLCSPCXWZJRZ-OCCSQVGLSA-N 2 1 357.361 4.283 20 0 FIADMP c1csc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467040 1086569207 /nfs/dbraw/zinc/56/92/07/1086569207.db2.gz ZFCATSARAAPNIX-PMACEKPBSA-N 2 1 355.551 4.139 20 0 FIADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472825 1086579745 /nfs/dbraw/zinc/57/97/45/1086579745.db2.gz ARNDYDLSNKWHDS-KXBFYZLASA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472825 1086579751 /nfs/dbraw/zinc/57/97/51/1086579751.db2.gz ARNDYDLSNKWHDS-KXBFYZLASA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472825 1086579758 /nfs/dbraw/zinc/57/97/58/1086579758.db2.gz ARNDYDLSNKWHDS-KXBFYZLASA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663474825 1086582652 /nfs/dbraw/zinc/58/26/52/1086582652.db2.gz RTHULTWQJHSIQT-KDOFPFPSSA-N 2 1 355.448 4.233 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001167826533 1086616727 /nfs/dbraw/zinc/61/67/27/1086616727.db2.gz PTTVOPNKYQIHJD-NRFANRHFSA-N 3 1 359.602 4.483 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001167826533 1086616733 /nfs/dbraw/zinc/61/67/33/1086616733.db2.gz PTTVOPNKYQIHJD-NRFANRHFSA-N 2 1 359.602 4.483 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)N1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001167826533 1086616737 /nfs/dbraw/zinc/61/67/37/1086616737.db2.gz PTTVOPNKYQIHJD-NRFANRHFSA-N 2 1 359.602 4.483 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CCCO1 ZINC000432355965 1086655465 /nfs/dbraw/zinc/65/54/65/1086655465.db2.gz AMYOTLIXTKZROU-MRXNPFEDSA-N 2 1 362.514 4.145 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338789 1086675195 /nfs/dbraw/zinc/67/51/95/1086675195.db2.gz UCPFJBOKVJZOSK-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512050378 1086709165 /nfs/dbraw/zinc/70/91/65/1086709165.db2.gz BYPQJUGCCZIQGS-MRXNPFEDSA-N 2 1 363.596 4.482 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422560 1086747162 /nfs/dbraw/zinc/74/71/62/1086747162.db2.gz FUVMRCOJSCPNJG-GUYCJALGSA-N 2 1 357.325 4.071 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423150 1086752084 /nfs/dbraw/zinc/75/20/84/1086752084.db2.gz IMQLIEFOSWEEID-LEWJYISDSA-N 2 1 366.549 4.298 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423150 1086752093 /nfs/dbraw/zinc/75/20/93/1086752093.db2.gz IMQLIEFOSWEEID-LEWJYISDSA-N 2 1 366.549 4.298 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427658 1086757909 /nfs/dbraw/zinc/75/79/09/1086757909.db2.gz DEAAFLUMQFXEHA-CVDCTZTESA-N 2 1 370.512 4.200 20 0 FIADMP CCOC1CC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000549626058 1086758121 /nfs/dbraw/zinc/75/81/21/1086758121.db2.gz QVOJYYHOLUBJDV-WKYDCOPISA-N 2 1 362.945 4.411 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC001167845198 1086773149 /nfs/dbraw/zinc/77/31/49/1086773149.db2.gz SGGXTPFNTASTRT-PKTZIBPZSA-N 2 1 352.522 4.000 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC001167845198 1086773154 /nfs/dbraw/zinc/77/31/54/1086773154.db2.gz SGGXTPFNTASTRT-PKTZIBPZSA-N 2 1 352.522 4.000 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245607537 1086803993 /nfs/dbraw/zinc/80/39/93/1086803993.db2.gz NNOHKUIPKGRMID-IMFGXOCKSA-N 2 1 368.525 4.225 20 0 FIADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1ccc(C(F)(F)F)cc1 ZINC000650724480 1086836738 /nfs/dbraw/zinc/83/67/38/1086836738.db2.gz HAVLNZVUDXXYLF-ZWQIFLOQSA-N 2 1 370.459 4.170 20 0 FIADMP CCO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660778 1086903257 /nfs/dbraw/zinc/90/32/57/1086903257.db2.gz MDMYYOSXXNQVBZ-UEVCKROQSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(Cl)ccc1OC(F)F ZINC000650753222 1086954876 /nfs/dbraw/zinc/95/48/76/1086954876.db2.gz IZXSAGVCNSXJTN-SNVBAGLBSA-N 2 1 358.791 4.390 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130885 1087123714 /nfs/dbraw/zinc/12/37/14/1087123714.db2.gz DTFVJZVPHINWAV-ZIAGYGMSSA-N 2 1 357.325 4.145 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2cc1OC ZINC000657839566 1087267426 /nfs/dbraw/zinc/26/74/26/1087267426.db2.gz CEOWKLFVPGAGOZ-YSSFQJQWSA-N 2 1 354.494 4.134 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845357 1087291575 /nfs/dbraw/zinc/29/15/75/1087291575.db2.gz NJAPFPCXTFDFPG-DLBZAZTESA-N 2 1 356.510 4.240 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000657847779 1087294331 /nfs/dbraw/zinc/29/43/31/1087294331.db2.gz ZXUGUOAEOPHBSO-GFCCVEGCSA-N 2 1 359.823 4.475 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867465 1087447115 /nfs/dbraw/zinc/44/71/15/1087447115.db2.gz MHNPABIXLHJPIJ-SJLPKXTDSA-N 2 1 359.464 4.234 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867465 1087447116 /nfs/dbraw/zinc/44/71/16/1087447116.db2.gz MHNPABIXLHJPIJ-SJLPKXTDSA-N 2 1 359.464 4.234 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000092752578 1087447677 /nfs/dbraw/zinc/44/76/77/1087447677.db2.gz VXMCNEMRWCJRJY-SFHVURJKSA-N 2 1 362.315 4.401 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)cc2cc1OC ZINC000657868737 1087456307 /nfs/dbraw/zinc/45/63/07/1087456307.db2.gz DJLPKROLIOHXDA-HZPDHXFCSA-N 2 1 367.493 4.349 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CCOCC1 ZINC000657883220 1087527132 /nfs/dbraw/zinc/52/71/32/1087527132.db2.gz QXCZWBNDGABPAR-MJGOQNOKSA-N 2 1 350.934 4.067 20 0 FIADMP CCOC1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000657888659 1087544333 /nfs/dbraw/zinc/54/43/33/1087544333.db2.gz NGHZKWQCOJHALC-UHFFFAOYSA-N 2 1 356.510 4.349 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc5cnccc5c4)C3)C2)cc1 ZINC000685443045 1087569177 /nfs/dbraw/zinc/56/91/77/1087569177.db2.gz KYLFULFSFIJGJY-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc5cnccc5c4)C3)C2)cc1 ZINC000685443045 1087569181 /nfs/dbraw/zinc/56/91/81/1087569181.db2.gz KYLFULFSFIJGJY-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc5cnccc5c4)C3)C2)cc1 ZINC000685443045 1087569187 /nfs/dbraw/zinc/56/91/87/1087569187.db2.gz KYLFULFSFIJGJY-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470327 1087577757 /nfs/dbraw/zinc/57/77/57/1087577757.db2.gz HAJBPTGDQUCJQM-HTAPYJJXSA-N 2 1 356.485 4.177 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470327 1087577760 /nfs/dbraw/zinc/57/77/60/1087577760.db2.gz HAJBPTGDQUCJQM-HTAPYJJXSA-N 2 1 356.485 4.177 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470327 1087577766 /nfs/dbraw/zinc/57/77/66/1087577766.db2.gz HAJBPTGDQUCJQM-HTAPYJJXSA-N 2 1 356.485 4.177 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470327 1087577768 /nfs/dbraw/zinc/57/77/68/1087577768.db2.gz HAJBPTGDQUCJQM-HTAPYJJXSA-N 2 1 356.485 4.177 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000708567397 1087587045 /nfs/dbraw/zinc/58/70/45/1087587045.db2.gz AYRDENNWAUIKEL-ZRCGQRJVSA-N 2 1 366.549 4.374 20 0 FIADMP CC[NH+](C/C=C\C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000685589914 1087634635 /nfs/dbraw/zinc/63/46/35/1087634635.db2.gz AEFZJLHSTRAIRH-BHGRFLGOSA-N 2 1 366.590 4.102 20 0 FIADMP CC[NH+](CC(C)C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000685590228 1087635000 /nfs/dbraw/zinc/63/50/00/1087635000.db2.gz NAAGKURMOCFGEF-WOJBJXKFSA-N 2 1 368.606 4.182 20 0 FIADMP CC[NH+](CC(C)C[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000685590227 1087635247 /nfs/dbraw/zinc/63/52/47/1087635247.db2.gz NAAGKURMOCFGEF-PMACEKPBSA-N 2 1 368.606 4.182 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658136382 1087724868 /nfs/dbraw/zinc/72/48/68/1087724868.db2.gz GYXYEVUFTKRUHK-SIKLNZKXSA-N 2 1 374.475 4.018 20 0 FIADMP CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658143154 1087734776 /nfs/dbraw/zinc/73/47/76/1087734776.db2.gz XBLBTDVJRHGEAL-WZONZLPQSA-N 2 1 352.522 4.057 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000414772265 1087738728 /nfs/dbraw/zinc/73/87/28/1087738728.db2.gz BOPVSHIKQGYFLG-UXHICEINSA-N 2 1 351.494 4.004 20 0 FIADMP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658138412 1087743615 /nfs/dbraw/zinc/74/36/15/1087743615.db2.gz MXSKEEOFZTZICA-OFNKIYASSA-N 2 1 364.533 4.156 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139908 1087744094 /nfs/dbraw/zinc/74/40/94/1087744094.db2.gz NZXVBPPOEODDBD-PXNSSMCTSA-N 2 1 364.489 4.159 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658206285 1087793498 /nfs/dbraw/zinc/79/34/98/1087793498.db2.gz IJJUEBKCPZCTPM-UQAQOTMJSA-N 2 1 364.533 4.059 20 0 FIADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000504896669 1087968922 /nfs/dbraw/zinc/96/89/22/1087968922.db2.gz ZDYQTFLXIBOYHO-WMZHIEFXSA-N 2 1 363.549 4.081 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)ccc2Br)cc1 ZINC000414808155 1088178788 /nfs/dbraw/zinc/17/87/88/1088178788.db2.gz KKFWCVCUVSHYDR-LLVKDONJSA-N 2 1 353.691 4.412 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000423385591 1088183924 /nfs/dbraw/zinc/18/39/24/1088183924.db2.gz GRUWOCIHMFERQW-RBZQAINGSA-N 2 1 359.517 4.265 20 0 FIADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc2)cs1 ZINC000414842129 1088461812 /nfs/dbraw/zinc/46/18/12/1088461812.db2.gz NVNFLBCGCMUKJL-FQEVSTJZSA-N 2 1 359.539 4.028 20 0 FIADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000514093587 1088739920 /nfs/dbraw/zinc/73/99/20/1088739920.db2.gz JTYISLIFZNNKKL-AUSIDOKSSA-N 2 1 367.537 4.228 20 0 FIADMP Cc1cc(C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)on1 ZINC001280063596 1088746096 /nfs/dbraw/zinc/74/60/96/1088746096.db2.gz AAMNMBILTWCXDX-UHFFFAOYSA-N 2 1 359.436 4.004 20 0 FIADMP FC(F)(F)Oc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000514101133 1088746939 /nfs/dbraw/zinc/74/69/39/1088746939.db2.gz ZBFWQYCYAFLGGX-JFIYKMOQSA-N 2 1 354.416 4.253 20 0 FIADMP CO[C@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000514146329 1088797174 /nfs/dbraw/zinc/79/71/74/1088797174.db2.gz WVKIABNBLQBMGE-OAQYLSRUSA-N 2 1 373.928 4.271 20 0 FIADMP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644416 1089036494 /nfs/dbraw/zinc/03/64/94/1089036494.db2.gz IIKUXZXOAMBCGS-GOSISDBHSA-N 2 1 368.525 4.386 20 0 FIADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000415081803 1089137647 /nfs/dbraw/zinc/13/76/47/1089137647.db2.gz NMDMWLDXIYZBHI-VIZSFHNOSA-N 2 1 366.505 4.238 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000549236938 1089310935 /nfs/dbraw/zinc/31/09/35/1089310935.db2.gz IQBLJMBOHYODJC-XSQFVWFVSA-N 2 1 356.554 4.080 20 0 FIADMP CC[N@H+](Cc1nc2ccc(OC)cc2s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000514817626 1089512692 /nfs/dbraw/zinc/51/26/92/1089512692.db2.gz JNRNDTYDUNJWGG-UHFFFAOYSA-N 2 1 369.534 4.389 20 0 FIADMP CC[N@@H+](Cc1nc2ccc(OC)cc2s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000514817626 1089512701 /nfs/dbraw/zinc/51/27/01/1089512701.db2.gz JNRNDTYDUNJWGG-UHFFFAOYSA-N 2 1 369.534 4.389 20 0 FIADMP C[C@H](CC1CCOCC1)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424761 1089640306 /nfs/dbraw/zinc/64/03/06/1089640306.db2.gz ALLWPVVKIBTRRC-YLJYHZDGSA-N 2 1 362.583 4.145 20 0 FIADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414874580 1089980372 /nfs/dbraw/zinc/98/03/72/1089980372.db2.gz IGMYKJPQJGZUEQ-AWEZNQCLSA-N 2 1 352.309 4.089 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312366426 1090626587 /nfs/dbraw/zinc/62/65/87/1090626587.db2.gz ADSRSPXZJDBOSG-JPYJTQIMSA-N 2 1 368.521 4.267 20 0 FIADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838775 1090933644 /nfs/dbraw/zinc/93/36/44/1090933644.db2.gz GLZFIHYNJUELSW-DENIHFKCSA-N 2 1 364.533 4.413 20 0 FIADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838775 1090933647 /nfs/dbraw/zinc/93/36/47/1090933647.db2.gz GLZFIHYNJUELSW-DENIHFKCSA-N 2 1 364.533 4.413 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256952 1090955688 /nfs/dbraw/zinc/95/56/88/1090955688.db2.gz OUQUFCSLKYXUDR-ZFWWWQNUSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256952 1090955690 /nfs/dbraw/zinc/95/56/90/1090955690.db2.gz OUQUFCSLKYXUDR-ZFWWWQNUSA-N 2 1 356.432 4.170 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000511640034 1090984261 /nfs/dbraw/zinc/98/42/61/1090984261.db2.gz OAPGOWVGRBPMGH-UHFFFAOYSA-N 2 1 369.553 4.441 20 0 FIADMP CCn1cncc1CNc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000417999898 1091020408 /nfs/dbraw/zinc/02/04/08/1091020408.db2.gz WSGKRVHPCSCCLF-JOCHJYFZSA-N 2 1 370.541 4.295 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000500073471 1091023436 /nfs/dbraw/zinc/02/34/36/1091023436.db2.gz JRNYTHYOTDIRGO-OAQYLSRUSA-N 2 1 357.586 4.266 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000390561566 1091258957 /nfs/dbraw/zinc/25/89/57/1091258957.db2.gz ARZDIGKYDATVED-QFIPXVFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000390561566 1091258959 /nfs/dbraw/zinc/25/89/59/1091258959.db2.gz ARZDIGKYDATVED-QFIPXVFZSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(F)ccc(O)c2F)C[N@H+]1Cc1ccccc1 ZINC000511778321 1091667319 /nfs/dbraw/zinc/66/73/19/1091667319.db2.gz ZIZDGZGORDPEGW-NVXWUHKLSA-N 2 1 360.448 4.061 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2c(F)ccc(O)c2F)C[N@H+]1Cc1ccccc1 ZINC000511778322 1091667848 /nfs/dbraw/zinc/66/78/48/1091667848.db2.gz ZIZDGZGORDPEGW-RDJZCZTQSA-N 2 1 360.448 4.061 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)CC1 ZINC000512194981 1091884379 /nfs/dbraw/zinc/88/43/79/1091884379.db2.gz MRJPJWXOSUJCEA-SFHVURJKSA-N 2 1 355.501 4.318 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)CC1 ZINC000512194981 1091884394 /nfs/dbraw/zinc/88/43/94/1091884394.db2.gz MRJPJWXOSUJCEA-SFHVURJKSA-N 2 1 355.501 4.318 20 0 FIADMP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccc(Cl)cc2)oc1=S ZINC000728906606 1091902055 /nfs/dbraw/zinc/90/20/55/1091902055.db2.gz DKHFOULSWCIBLG-UHFFFAOYSA-N 2 1 365.930 4.362 20 0 FIADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccc(Cl)cc2)oc1=S ZINC000728906606 1091902060 /nfs/dbraw/zinc/90/20/60/1091902060.db2.gz DKHFOULSWCIBLG-UHFFFAOYSA-N 2 1 365.930 4.362 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000512431985 1092313918 /nfs/dbraw/zinc/31/39/18/1092313918.db2.gz CJAWHIRDDDLSLY-PGRDOPGGSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@H]1C[C@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431985 1092313932 /nfs/dbraw/zinc/31/39/32/1092313932.db2.gz CJAWHIRDDDLSLY-PGRDOPGGSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@H]1C[C@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431985 1092313948 /nfs/dbraw/zinc/31/39/48/1092313948.db2.gz CJAWHIRDDDLSLY-PGRDOPGGSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@@H]1CC([NH2+][C@H](CCO)c2ccc(F)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012514 1092340974 /nfs/dbraw/zinc/34/09/74/1092340974.db2.gz BHRVRYRTPBSTCE-PMAPCBKXSA-N 2 1 370.512 4.280 20 0 FIADMP CCOc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168012812 1092377853 /nfs/dbraw/zinc/37/78/53/1092377853.db2.gz FLXSPRXOSAYNJJ-QZTJIDSGSA-N 2 1 353.510 4.012 20 0 FIADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000665277185 1092505358 /nfs/dbraw/zinc/50/53/58/1092505358.db2.gz WEYUNZGNTFYORR-UEVCKROQSA-N 2 1 361.533 4.023 20 0 FIADMP COc1cccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)c1 ZINC000047968441 1092742886 /nfs/dbraw/zinc/74/28/86/1092742886.db2.gz BPKJTOWYCYSTQB-UHFFFAOYSA-N 2 1 371.550 4.127 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758991 1092749967 /nfs/dbraw/zinc/74/99/67/1092749967.db2.gz CJYYHKUUWOBSPQ-XYPWUTKMSA-N 2 1 356.432 4.079 20 0 FIADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000442778707 1092757919 /nfs/dbraw/zinc/75/79/19/1092757919.db2.gz HMBVYAJWGMHQLT-CTWPCTMYSA-N 2 1 354.485 4.110 20 0 FIADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000442778707 1092757921 /nfs/dbraw/zinc/75/79/21/1092757921.db2.gz HMBVYAJWGMHQLT-CTWPCTMYSA-N 2 1 354.485 4.110 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000110174932 1092786739 /nfs/dbraw/zinc/78/67/39/1092786739.db2.gz SCZOAGCHQQXZIO-FQEVSTJZSA-N 2 1 373.585 4.301 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000110174932 1092786752 /nfs/dbraw/zinc/78/67/52/1092786752.db2.gz SCZOAGCHQQXZIO-FQEVSTJZSA-N 2 1 373.585 4.301 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000110174932 1092786765 /nfs/dbraw/zinc/78/67/65/1092786765.db2.gz SCZOAGCHQQXZIO-FQEVSTJZSA-N 2 1 373.585 4.301 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1)C(C)C ZINC000110164642 1092795714 /nfs/dbraw/zinc/79/57/14/1092795714.db2.gz UXDZESMPPQUYLA-UHFFFAOYSA-N 2 1 373.585 4.159 20 0 FIADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000442871019 1092818098 /nfs/dbraw/zinc/81/80/98/1092818098.db2.gz FCTBYWMKVLCBRI-QGZVFWFLSA-N 2 1 358.357 4.060 20 0 FIADMP COCCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(F)cc1 ZINC000442871561 1092819893 /nfs/dbraw/zinc/81/98/93/1092819893.db2.gz LYWVWDPOGFOEFT-GHTZIAJQSA-N 2 1 350.522 4.251 20 0 FIADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2cccs2)cc1 ZINC000442890524 1092844380 /nfs/dbraw/zinc/84/43/80/1092844380.db2.gz ONFPCDFEXYCOPA-KRWDZBQOSA-N 2 1 357.567 4.092 20 0 FIADMP Cc1ccc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3C)CC2)[nH+]c1 ZINC000443008103 1092912434 /nfs/dbraw/zinc/91/24/34/1092912434.db2.gz RUYVGOUIMFZRCX-UHFFFAOYSA-N 2 1 363.427 4.476 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@H]1c1cccs1 ZINC000474040207 1092921435 /nfs/dbraw/zinc/92/14/35/1092921435.db2.gz ZTDMQPKMXKALMG-FKAKKMJLSA-N 2 1 362.583 4.316 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@H]1c1cccs1 ZINC000474040207 1092921439 /nfs/dbraw/zinc/92/14/39/1092921439.db2.gz ZTDMQPKMXKALMG-FKAKKMJLSA-N 2 1 362.583 4.316 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CCCCC1 ZINC000521805369 1092924271 /nfs/dbraw/zinc/92/42/71/1092924271.db2.gz DFQMMOLNGIBFIZ-UHFFFAOYSA-N 2 1 360.933 4.474 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CCCCC1 ZINC000521805369 1092924275 /nfs/dbraw/zinc/92/42/75/1092924275.db2.gz DFQMMOLNGIBFIZ-UHFFFAOYSA-N 2 1 360.933 4.474 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512644199 1093058763 /nfs/dbraw/zinc/05/87/63/1093058763.db2.gz ZZEALLKTKIQGTN-ZQGJOIPISA-N 2 1 370.581 4.470 20 0 FIADMP COC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512648502 1093068952 /nfs/dbraw/zinc/06/89/52/1093068952.db2.gz NQPZAFHXJZZFDZ-CAYSGGIESA-N 2 1 356.554 4.082 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152151870 1093078932 /nfs/dbraw/zinc/07/89/32/1093078932.db2.gz ZPXJMRXZMASZIC-ABSDTBQOSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152151870 1093078938 /nfs/dbraw/zinc/07/89/38/1093078938.db2.gz ZPXJMRXZMASZIC-ABSDTBQOSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sc1C ZINC000512666370 1093105715 /nfs/dbraw/zinc/10/57/15/1093105715.db2.gz KFBQXQHTJHVQMR-PWRODBHTSA-N 2 1 369.578 4.193 20 0 FIADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000411335487 1093247313 /nfs/dbraw/zinc/24/73/13/1093247313.db2.gz QWMYRBLJMGARFB-AREMUKBSSA-N 2 1 370.562 4.042 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248387706 1093248404 /nfs/dbraw/zinc/24/84/04/1093248404.db2.gz PPOQDKODRAACGW-OALUTQOASA-N 2 1 367.578 4.020 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3[C@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023852 1093367528 /nfs/dbraw/zinc/36/75/28/1093367528.db2.gz YLNJTDWMRZWJHR-HOSQYBKFSA-N 2 1 364.533 4.066 20 0 FIADMP COc1cc(F)cc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168025247 1093418856 /nfs/dbraw/zinc/41/88/56/1093418856.db2.gz JEDFTNAXFQIROL-IRXDYDNUSA-N 2 1 356.485 4.366 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025318 1093432147 /nfs/dbraw/zinc/43/21/47/1093432147.db2.gz JJFKGNNSVATDHC-KZTDQWPFSA-N 2 1 366.549 4.275 20 0 FIADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168027988 1093528154 /nfs/dbraw/zinc/52/81/54/1093528154.db2.gz NWQLTFDDGDCBFH-JHDGKUDLSA-N 2 1 369.597 4.425 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030224 1093575840 /nfs/dbraw/zinc/57/58/40/1093575840.db2.gz UXVMJCWOHMCJGA-AAUAJYIVSA-N 2 1 364.533 4.281 20 0 FIADMP CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168031227 1093615635 /nfs/dbraw/zinc/61/56/35/1093615635.db2.gz YEFZJPMZTYLZBF-JHDGKUDLSA-N 2 1 357.586 4.138 20 0 FIADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)nn(C)c1C ZINC000512979466 1093623374 /nfs/dbraw/zinc/62/33/74/1093623374.db2.gz CWTFBUVBEJPQBL-CZAAIQMYSA-N 2 1 354.542 4.131 20 0 FIADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)nn(C)c1C ZINC000512979466 1093623382 /nfs/dbraw/zinc/62/33/82/1093623382.db2.gz CWTFBUVBEJPQBL-CZAAIQMYSA-N 2 1 354.542 4.131 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000513052912 1093697666 /nfs/dbraw/zinc/69/76/66/1093697666.db2.gz UHINXJVCYUNDCF-XXBNENTESA-N 2 1 359.517 4.420 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000513052912 1093697669 /nfs/dbraw/zinc/69/76/69/1093697669.db2.gz UHINXJVCYUNDCF-XXBNENTESA-N 2 1 359.517 4.420 20 0 FIADMP C[C@@H]1CC([NH2+]CC2CC[NH+](C3CCC3)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033631 1093722527 /nfs/dbraw/zinc/72/25/27/1093722527.db2.gz MVKWEJVRTFTAJF-WOJBJXKFSA-N 2 1 369.597 4.282 20 0 FIADMP CCCn1c2ccccc2nc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000614388726 1093799673 /nfs/dbraw/zinc/79/96/73/1093799673.db2.gz XTEVUYMUHJWUSJ-KDURUIRLSA-N 2 1 356.558 4.294 20 0 FIADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000474485601 1093832300 /nfs/dbraw/zinc/83/23/00/1093832300.db2.gz QQUWUFPOLFEAPW-OALUTQOASA-N 2 1 354.542 4.232 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513214222 1094009788 /nfs/dbraw/zinc/00/97/88/1094009788.db2.gz XVATWTCSLMTTJK-NMIHRBCNSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513214222 1094009793 /nfs/dbraw/zinc/00/97/93/1094009793.db2.gz XVATWTCSLMTTJK-NMIHRBCNSA-N 2 1 358.570 4.470 20 0 FIADMP Cc1ccn2c(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cnc2c1 ZINC000513494345 1094162179 /nfs/dbraw/zinc/16/21/79/1094162179.db2.gz HONRAUYGRIUZEU-CTNGQTDRSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494782 1094163341 /nfs/dbraw/zinc/16/33/41/1094163341.db2.gz JRLNZVOTHZLVBI-FPOVZHCZSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000513494782 1094163345 /nfs/dbraw/zinc/16/33/45/1094163345.db2.gz JRLNZVOTHZLVBI-FPOVZHCZSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@H+]1Cc1ccccc1 ZINC000513494782 1094163348 /nfs/dbraw/zinc/16/33/48/1094163348.db2.gz JRLNZVOTHZLVBI-FPOVZHCZSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2csc(C3CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000513500799 1094173865 /nfs/dbraw/zinc/17/38/65/1094173865.db2.gz OWWKLFCPPUTEMA-FUHWJXTLSA-N 2 1 355.551 4.411 20 0 FIADMP C[N@@H+](CCCN[C@H](Cc1ccccn1)c1cccnc1)C1CCCCC1 ZINC000513501578 1094174065 /nfs/dbraw/zinc/17/40/65/1094174065.db2.gz UDQAIQUJJLWBNO-JOCHJYFZSA-N 2 1 352.526 4.005 20 0 FIADMP C[N@H+](CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1)C1CCCCC1 ZINC000513501578 1094174070 /nfs/dbraw/zinc/17/40/70/1094174070.db2.gz UDQAIQUJJLWBNO-JOCHJYFZSA-N 2 1 352.526 4.005 20 0 FIADMP C[N@@H+](CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1)C1CCCCC1 ZINC000513501578 1094174072 /nfs/dbraw/zinc/17/40/72/1094174072.db2.gz UDQAIQUJJLWBNO-JOCHJYFZSA-N 2 1 352.526 4.005 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]CC2=Cc3ccccc3OC2)C[N@H+]1Cc1ccccc1 ZINC000513513836 1094186620 /nfs/dbraw/zinc/18/66/20/1094186620.db2.gz UWKXZBBWDVQKNG-PZJWPPBQSA-N 2 1 362.517 4.353 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000513523827 1094196784 /nfs/dbraw/zinc/19/67/84/1094196784.db2.gz CLJKSDUQFJVJGA-KNQAVFIVSA-N 2 1 352.526 4.005 20 0 FIADMP COc1ccc(OC)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513544619 1094205809 /nfs/dbraw/zinc/20/58/09/1094205809.db2.gz KKUNSNOPXMVSRL-UYAOXDASSA-N 2 1 368.521 4.094 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000576868154 1094232509 /nfs/dbraw/zinc/23/25/09/1094232509.db2.gz WYDJHKMFLHTCOQ-NFBKMPQASA-N 2 1 352.522 4.301 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)o1 ZINC000513696855 1094362392 /nfs/dbraw/zinc/36/23/92/1094362392.db2.gz FIFPJRSCQCZEAF-FUPPJEDESA-N 2 1 367.537 4.114 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CCCc3ccccc3)C2)CC1 ZINC000501059141 1094470357 /nfs/dbraw/zinc/47/03/57/1094470357.db2.gz LIRHQKMGEWKTBE-DEOSSOPVSA-N 2 1 371.613 4.137 20 0 FIADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396327 1094481713 /nfs/dbraw/zinc/48/17/13/1094481713.db2.gz NEGUIXPVNRZKHO-VQIMIIECSA-N 2 1 361.574 4.094 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501089617 1094488775 /nfs/dbraw/zinc/48/87/75/1094488775.db2.gz OFJNEXUOTJWANN-KRWDZBQOSA-N 2 1 371.491 4.114 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000474716555 1094537930 /nfs/dbraw/zinc/53/79/30/1094537930.db2.gz YCDRLXMZPNDWKV-ZWKOTPCHSA-N 2 1 370.537 4.437 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)C1CCOCC1 ZINC000474815757 1094661055 /nfs/dbraw/zinc/66/10/55/1094661055.db2.gz KCAQYEIYNSLDNG-NRFANRHFSA-N 2 1 366.549 4.484 20 0 FIADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(OC(F)(F)F)cc1 ZINC000513713165 1094678801 /nfs/dbraw/zinc/67/88/01/1094678801.db2.gz LIARERYXPONPHT-GUYCJALGSA-N 2 1 355.404 4.467 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389222025 1094700284 /nfs/dbraw/zinc/70/02/84/1094700284.db2.gz WSEUTXIJKFPMOL-TYPHKJRUSA-N 2 1 350.506 4.053 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446755 1094717122 /nfs/dbraw/zinc/71/71/22/1094717122.db2.gz UFMCUDFFOOCMDW-SUMDDJOVSA-N 2 1 372.475 4.491 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446755 1094717135 /nfs/dbraw/zinc/71/71/35/1094717135.db2.gz UFMCUDFFOOCMDW-SUMDDJOVSA-N 2 1 372.475 4.491 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H](C)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000474878330 1094826899 /nfs/dbraw/zinc/82/68/99/1094826899.db2.gz OSQNHHNUVRGRRH-HZPDHXFCSA-N 2 1 372.944 4.497 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420321416 1094881142 /nfs/dbraw/zinc/88/11/42/1094881142.db2.gz RFVRABUNELJADC-RTBURBONSA-N 2 1 354.542 4.186 20 0 FIADMP Cc1nc([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)oc1-c1ccc(Cl)cc1 ZINC000420331686 1094891584 /nfs/dbraw/zinc/89/15/84/1094891584.db2.gz IUDHKAYHUROWIZ-OIISXLGYSA-N 2 1 359.901 4.296 20 0 FIADMP C[C@@H](CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)OCc1ccccc1 ZINC000474960307 1094951087 /nfs/dbraw/zinc/95/10/87/1094951087.db2.gz OCUMPSZDQMGYLW-FQEVSTJZSA-N 2 1 367.537 4.225 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4cc[nH]c43)CC2)cs1 ZINC000237121073 1095064993 /nfs/dbraw/zinc/06/49/93/1095064993.db2.gz SAFLLRQWZQKMSF-UHFFFAOYSA-N 2 1 368.550 4.189 20 0 FIADMP c1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCC2)cc1 ZINC000420933430 1095174624 /nfs/dbraw/zinc/17/46/24/1095174624.db2.gz IXRUQUALLQPWSG-HSZRJFAPSA-N 2 1 350.506 4.150 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935625 1095175407 /nfs/dbraw/zinc/17/54/07/1095175407.db2.gz MIIVLIYZVNFUSL-CZAAIQMYSA-N 2 1 358.913 4.177 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935625 1095175416 /nfs/dbraw/zinc/17/54/16/1095175416.db2.gz MIIVLIYZVNFUSL-CZAAIQMYSA-N 2 1 358.913 4.177 20 0 FIADMP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420977063 1095220286 /nfs/dbraw/zinc/22/02/86/1095220286.db2.gz RMNZPNQJYDPVKA-FCEWJHQRSA-N 2 1 370.459 4.070 20 0 FIADMP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420977063 1095220293 /nfs/dbraw/zinc/22/02/93/1095220293.db2.gz RMNZPNQJYDPVKA-FCEWJHQRSA-N 2 1 370.459 4.070 20 0 FIADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000421033243 1095246927 /nfs/dbraw/zinc/24/69/27/1095246927.db2.gz AITFXPNJMRIBJH-HXUWFJFHSA-N 2 1 372.557 4.009 20 0 FIADMP CN(C[C@H]1CCC[NH+]1C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000421033243 1095246939 /nfs/dbraw/zinc/24/69/39/1095246939.db2.gz AITFXPNJMRIBJH-HXUWFJFHSA-N 2 1 372.557 4.009 20 0 FIADMP CN(C[C@H]1CCC[NH+]1C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000421033243 1095246950 /nfs/dbraw/zinc/24/69/50/1095246950.db2.gz AITFXPNJMRIBJH-HXUWFJFHSA-N 2 1 372.557 4.009 20 0 FIADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000502281365 1095302820 /nfs/dbraw/zinc/30/28/20/1095302820.db2.gz AEAKEYRLHBIELQ-MOPGFXCFSA-N 2 1 362.558 4.187 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000502319912 1095344419 /nfs/dbraw/zinc/34/44/19/1095344419.db2.gz SPAWKPIZAOKGPD-KRWDZBQOSA-N 2 1 354.460 4.248 20 0 FIADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000502339434 1095375860 /nfs/dbraw/zinc/37/58/60/1095375860.db2.gz IVCHJZBCKJBHOS-INIZCTEOSA-N 2 1 361.436 4.200 20 0 FIADMP C[C@H]1CC([N@@H+]2CCc3cc(O)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047555 1095390357 /nfs/dbraw/zinc/39/03/57/1095390357.db2.gz QQZDXMGQMZYJHZ-ROUUACIJSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@H]1CC([N@H+]2CCc3cc(O)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047555 1095390372 /nfs/dbraw/zinc/39/03/72/1095390372.db2.gz QQZDXMGQMZYJHZ-ROUUACIJSA-N 2 1 350.506 4.192 20 0 FIADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000502718810 1095744386 /nfs/dbraw/zinc/74/43/86/1095744386.db2.gz UCSFOBQKCNOQGG-UHFFFAOYSA-N 2 1 350.304 4.256 20 0 FIADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000502718810 1095744400 /nfs/dbraw/zinc/74/44/00/1095744400.db2.gz UCSFOBQKCNOQGG-UHFFFAOYSA-N 2 1 350.304 4.256 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444197031 1095840468 /nfs/dbraw/zinc/84/04/68/1095840468.db2.gz RCSDHVIGQABCRI-FQEVSTJZSA-N 2 1 374.532 4.309 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444197031 1095840486 /nfs/dbraw/zinc/84/04/86/1095840486.db2.gz RCSDHVIGQABCRI-FQEVSTJZSA-N 2 1 374.532 4.309 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000421827994 1095939530 /nfs/dbraw/zinc/93/95/30/1095939530.db2.gz ALUMRHGBFMCODA-MDZRGWNJSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000421827994 1095939534 /nfs/dbraw/zinc/93/95/34/1095939534.db2.gz ALUMRHGBFMCODA-MDZRGWNJSA-N 2 1 368.949 4.136 20 0 FIADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000421828719 1095940876 /nfs/dbraw/zinc/94/08/76/1095940876.db2.gz DXRZXOZBTUWXCB-HNNXBMFYSA-N 2 1 359.901 4.372 20 0 FIADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000421828634 1095941307 /nfs/dbraw/zinc/94/13/07/1095941307.db2.gz DQGHIUJLOIUDDO-OAHLLOKOSA-N 2 1 359.901 4.372 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](c1ccccc1)C2 ZINC000503073701 1096049761 /nfs/dbraw/zinc/04/97/61/1096049761.db2.gz OSKLHWAYBDCTLQ-GGAORHGYSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](c1ccccc1)C2 ZINC000503073701 1096049772 /nfs/dbraw/zinc/04/97/72/1096049772.db2.gz OSKLHWAYBDCTLQ-GGAORHGYSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](c1ccccc1)C2 ZINC000503073701 1096049785 /nfs/dbraw/zinc/04/97/85/1096049785.db2.gz OSKLHWAYBDCTLQ-GGAORHGYSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](c1ccccc1)C2 ZINC000503073701 1096049799 /nfs/dbraw/zinc/04/97/99/1096049799.db2.gz OSKLHWAYBDCTLQ-GGAORHGYSA-N 2 1 350.506 4.279 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000503073186 1096050558 /nfs/dbraw/zinc/05/05/58/1096050558.db2.gz HAHFRWIBHVACTG-ZZXKWVIFSA-N 2 1 362.315 4.379 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000503073186 1096050568 /nfs/dbraw/zinc/05/05/68/1096050568.db2.gz HAHFRWIBHVACTG-ZZXKWVIFSA-N 2 1 362.315 4.379 20 0 FIADMP COc1ccc(C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)c2ccc(OC)cc2)cc1 ZINC000503076956 1096053979 /nfs/dbraw/zinc/05/39/79/1096053979.db2.gz WOVQFOICAPMELG-NZQKXSOJSA-N 2 1 368.521 4.062 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503404651 1096385911 /nfs/dbraw/zinc/38/59/11/1096385911.db2.gz HHIXKFJLMDFHRM-UHFFFAOYSA-N 2 1 362.315 4.224 20 0 FIADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422804872 1096494429 /nfs/dbraw/zinc/49/44/29/1096494429.db2.gz GDFBWFONRIBCNM-MLCQCVOFSA-N 2 1 350.506 4.298 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422855853 1096505628 /nfs/dbraw/zinc/50/56/28/1096505628.db2.gz FLOWQKRUZOWOGW-ROUUACIJSA-N 3 1 366.553 4.074 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000422903099 1096520538 /nfs/dbraw/zinc/52/05/38/1096520538.db2.gz ODJOVYMGCNHTNT-IGNZVWTISA-N 2 1 350.384 4.423 20 0 FIADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000422918086 1096531620 /nfs/dbraw/zinc/53/16/20/1096531620.db2.gz HKBHIPIYLGZKFT-AUUYWEPGSA-N 2 1 368.855 4.051 20 0 FIADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422942996 1096531900 /nfs/dbraw/zinc/53/19/00/1096531900.db2.gz XIRCKKCOLXNYSL-CVDCTZTESA-N 2 1 360.501 4.281 20 0 FIADMP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422943471 1096535199 /nfs/dbraw/zinc/53/51/99/1096535199.db2.gz KIYXZQVDDRKYRS-RBUKOAKNSA-N 2 1 359.311 4.270 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1)c1c[nH+]ccc1N ZINC000423009042 1096547780 /nfs/dbraw/zinc/54/77/80/1096547780.db2.gz BSTNBGLEVXBKNI-CVEARBPZSA-N 2 1 359.473 4.335 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1)c1c[nH+]ccc1N ZINC000423009044 1096549083 /nfs/dbraw/zinc/54/90/83/1096549083.db2.gz BSTNBGLEVXBKNI-HZPDHXFCSA-N 2 1 359.473 4.335 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423032845 1096555142 /nfs/dbraw/zinc/55/51/42/1096555142.db2.gz YUIZXPREDSWDKO-PXAZEXFGSA-N 2 1 355.379 4.332 20 0 FIADMP COc1ccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423039601 1096557117 /nfs/dbraw/zinc/55/71/17/1096557117.db2.gz FRGWNEQPOOKNAM-DJJJIMSYSA-N 2 1 364.411 4.001 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414715541 1096564285 /nfs/dbraw/zinc/56/42/85/1096564285.db2.gz RBHQEPCWBPVIQR-QZTJIDSGSA-N 2 1 372.557 4.042 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423184559 1096596274 /nfs/dbraw/zinc/59/62/74/1096596274.db2.gz IHRPJKWFRDXRKC-NRFANRHFSA-N 2 1 353.510 4.188 20 0 FIADMP CC[C@H](C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000414723837 1096615185 /nfs/dbraw/zinc/61/51/85/1096615185.db2.gz QNLWZIAEXPSEMJ-MJGOQNOKSA-N 2 1 355.551 4.281 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423217444 1096620325 /nfs/dbraw/zinc/62/03/25/1096620325.db2.gz UFIJHYCIMWHBDC-TZMCWYRMSA-N 2 1 367.324 4.138 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265788 1096626709 /nfs/dbraw/zinc/62/67/09/1096626709.db2.gz RIYVRMKNABSRGU-OXJNMPFZSA-N 2 1 360.546 4.119 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000414727684 1096628650 /nfs/dbraw/zinc/62/86/50/1096628650.db2.gz AUDRSBRSCWAKBL-MRXNPFEDSA-N 2 1 354.922 4.101 20 0 FIADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc2cc(Br)ccc2o1 ZINC000423334254 1096649784 /nfs/dbraw/zinc/64/97/84/1096649784.db2.gz ICHKQWKTVZTSEK-PXAZEXFGSA-N 2 1 351.288 4.236 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CC[NH2+]1 ZINC000423387056 1096662649 /nfs/dbraw/zinc/66/26/49/1096662649.db2.gz SIIVUUVNWHAGQX-MDASCCDHSA-N 2 1 359.311 4.269 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423512611 1096709899 /nfs/dbraw/zinc/70/98/99/1096709899.db2.gz KUZSEGKCARKLLC-ZIAGYGMSSA-N 2 1 350.915 4.098 20 0 FIADMP [NH3+]CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423518616 1096712251 /nfs/dbraw/zinc/71/22/51/1096712251.db2.gz PFLOXMMJLDLOSJ-JLLPCOHGSA-N 3 1 363.549 4.252 20 0 FIADMP [NH3+]CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000423518616 1096712257 /nfs/dbraw/zinc/71/22/57/1096712257.db2.gz PFLOXMMJLDLOSJ-JLLPCOHGSA-N 2 1 363.549 4.252 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423527860 1096714174 /nfs/dbraw/zinc/71/41/74/1096714174.db2.gz WEGPZMFBHAJIEA-CZUORRHYSA-N 2 1 350.915 4.098 20 0 FIADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533075801 1098741289 /nfs/dbraw/zinc/74/12/89/1098741289.db2.gz PMTGKRHOBWOHTA-QAPCUYQASA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533075801 1098741300 /nfs/dbraw/zinc/74/13/00/1098741300.db2.gz PMTGKRHOBWOHTA-QAPCUYQASA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075801 1098741312 /nfs/dbraw/zinc/74/13/12/1098741312.db2.gz PMTGKRHOBWOHTA-QAPCUYQASA-N 2 1 354.416 4.034 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436266577 1098879471 /nfs/dbraw/zinc/87/94/71/1098879471.db2.gz ATTOTFDSWQBNCC-UHFFFAOYSA-N 2 1 366.534 4.201 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000533608572 1099224712 /nfs/dbraw/zinc/22/47/12/1099224712.db2.gz UTBVAXVTICEPFY-HXUWFJFHSA-N 2 1 370.562 4.164 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000429542613 1099328946 /nfs/dbraw/zinc/32/89/46/1099328946.db2.gz YMHKCFNWWVSJHQ-SJLPKXTDSA-N 2 1 351.332 4.243 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000429542613 1099328957 /nfs/dbraw/zinc/32/89/57/1099328957.db2.gz YMHKCFNWWVSJHQ-SJLPKXTDSA-N 2 1 351.332 4.243 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098451 1099600621 /nfs/dbraw/zinc/60/06/21/1099600621.db2.gz SAQKVCYNIGHMTD-ZLGUVYLKSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098451 1099600627 /nfs/dbraw/zinc/60/06/27/1099600627.db2.gz SAQKVCYNIGHMTD-ZLGUVYLKSA-N 2 1 354.469 4.150 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000162256353 1099659451 /nfs/dbraw/zinc/65/94/51/1099659451.db2.gz FZOWTUGEUDGWMB-CQSZACIVSA-N 2 1 374.529 4.274 20 0 FIADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459390757 1099711179 /nfs/dbraw/zinc/71/11/79/1099711179.db2.gz PBTUGTSWUKPBBK-QPJJXVBHSA-N 2 1 362.517 4.495 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693183 1099823840 /nfs/dbraw/zinc/82/38/40/1099823840.db2.gz AFNKZPUQHSWWJZ-GGPKGHCWSA-N 2 1 356.485 4.093 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000508693241 1099827639 /nfs/dbraw/zinc/82/76/39/1099827639.db2.gz CPNJAKCBBLYOLJ-MJGOQNOKSA-N 2 1 357.567 4.309 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698488 1099830693 /nfs/dbraw/zinc/83/06/93/1099830693.db2.gz OPJHTDOSPOBOBW-SIKLNZKXSA-N 2 1 352.522 4.046 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508698584 1099831421 /nfs/dbraw/zinc/83/14/21/1099831421.db2.gz PFBMYGOQBZXOLX-ICSRJNTNSA-N 2 1 357.567 4.274 20 0 FIADMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701309 1099842828 /nfs/dbraw/zinc/84/28/28/1099842828.db2.gz WNIYKKAQWZLLAT-ZJSXRUAMSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H](NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701309 1099842833 /nfs/dbraw/zinc/84/28/33/1099842833.db2.gz WNIYKKAQWZLLAT-ZJSXRUAMSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H](NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701309 1099842848 /nfs/dbraw/zinc/84/28/48/1099842848.db2.gz WNIYKKAQWZLLAT-ZJSXRUAMSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701309 1099842856 /nfs/dbraw/zinc/84/28/56/1099842856.db2.gz WNIYKKAQWZLLAT-ZJSXRUAMSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701309 1099842862 /nfs/dbraw/zinc/84/28/62/1099842862.db2.gz WNIYKKAQWZLLAT-ZJSXRUAMSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701309 1099842873 /nfs/dbraw/zinc/84/28/73/1099842873.db2.gz WNIYKKAQWZLLAT-ZJSXRUAMSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701309 1099842886 /nfs/dbraw/zinc/84/28/86/1099842886.db2.gz WNIYKKAQWZLLAT-ZJSXRUAMSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508703607 1099856510 /nfs/dbraw/zinc/85/65/10/1099856510.db2.gz ZACGRANPGKTFFA-UWXQAFAOSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702108 1099857500 /nfs/dbraw/zinc/85/75/00/1099857500.db2.gz YNXRTPFAKIXUMC-WSTZPKSXSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@@H](Nc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715203 1099885924 /nfs/dbraw/zinc/88/59/24/1099885924.db2.gz XGUFJMUWVPPYFR-KNQAVFIVSA-N 2 1 351.538 4.113 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712595 1099902427 /nfs/dbraw/zinc/90/24/27/1099902427.db2.gz DDVFWYFSRCVUTK-VQIMIIECSA-N 2 1 358.913 4.349 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712595 1099902432 /nfs/dbraw/zinc/90/24/32/1099902432.db2.gz DDVFWYFSRCVUTK-VQIMIIECSA-N 2 1 358.913 4.349 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508711063 1099902590 /nfs/dbraw/zinc/90/25/90/1099902590.db2.gz OBHACPIRMGCZSK-JQVVWYNYSA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722898 1099943264 /nfs/dbraw/zinc/94/32/64/1099943264.db2.gz YQTRHQVGUUTNIR-CTNGQTDRSA-N 2 1 364.533 4.227 20 0 FIADMP CCOc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1O ZINC000459404516 1100111153 /nfs/dbraw/zinc/11/11/53/1100111153.db2.gz CVKHXYARXXVLHQ-QGZVFWFLSA-N 2 1 354.494 4.106 20 0 FIADMP Cc1sc(C2([NH2+]CCc3c[nH+]cn3C)CCC2)nc1-c1ccccc1F ZINC000459483023 1100218269 /nfs/dbraw/zinc/21/82/69/1100218269.db2.gz FJSVMKSNDANFGH-UHFFFAOYSA-N 2 1 370.497 4.203 20 0 FIADMP COc1ccsc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536709385 1100228172 /nfs/dbraw/zinc/22/81/72/1100228172.db2.gz CPDPXZHVZCZERS-UHFFFAOYSA-N 2 1 356.535 4.245 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3C)CC1)C2 ZINC000425919637 1100252266 /nfs/dbraw/zinc/25/22/66/1100252266.db2.gz ODUMCTVEYZNBQZ-QFIPXVFZSA-N 2 1 364.533 4.115 20 0 FIADMP c1nnsc1C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459516940 1100254750 /nfs/dbraw/zinc/25/47/50/1100254750.db2.gz DZHGLBTUUOTLOJ-NRFANRHFSA-N 2 1 370.566 4.195 20 0 FIADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1Br ZINC000459524875 1100271130 /nfs/dbraw/zinc/27/11/30/1100271130.db2.gz ZZWDFEULDLGRQS-CTYIDZIISA-N 2 1 367.306 4.051 20 0 FIADMP Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459568958 1100317361 /nfs/dbraw/zinc/31/73/61/1100317361.db2.gz LFFGAYAFHLMQCF-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459568958 1100317364 /nfs/dbraw/zinc/31/73/64/1100317364.db2.gz LFFGAYAFHLMQCF-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@@H]4CC[N@@H+](C)[C@H](C)C4)cc3)ccc2O1 ZINC000536842162 1100355341 /nfs/dbraw/zinc/35/53/41/1100355341.db2.gz WLQHAHIDKNDPLD-DRSNIGMVSA-N 2 1 350.506 4.249 20 0 FIADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000536832183 1100370394 /nfs/dbraw/zinc/37/03/94/1100370394.db2.gz JGGQCENSMBVFIJ-NHCUHLMSSA-N 2 1 362.533 4.016 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)C[C@H](C)O1 ZINC000517538979 1100460777 /nfs/dbraw/zinc/46/07/77/1100460777.db2.gz VWIZDOLSTSJFHP-FMNOIEFDSA-N 2 1 350.506 4.099 20 0 FIADMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)c1OC ZINC000517537210 1100474934 /nfs/dbraw/zinc/47/49/34/1100474934.db2.gz KLXCKSXYLDVOSS-IYBDPMFKSA-N 2 1 368.949 4.205 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)oc2c1 ZINC000426049728 1100716554 /nfs/dbraw/zinc/71/65/54/1100716554.db2.gz JWPSMBGIEFOEFI-LAUBAEHRSA-N 2 1 364.489 4.159 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426070819 1100781722 /nfs/dbraw/zinc/78/17/22/1100781722.db2.gz QABDDXLBJIBGNA-OAQYLSRUSA-N 2 1 357.929 4.481 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000517936821 1100804572 /nfs/dbraw/zinc/80/45/72/1100804572.db2.gz ZLVATJAOEJHQSI-YJBOKZPZSA-N 2 1 371.912 4.152 20 0 FIADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000438771450 1100907434 /nfs/dbraw/zinc/90/74/34/1100907434.db2.gz KYCRZRMWJQZRFS-NRFANRHFSA-N 2 1 355.526 4.018 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000426300075 1101221214 /nfs/dbraw/zinc/22/12/14/1101221214.db2.gz BTXCSWDFIRUYMC-VQIMIIECSA-N 2 1 364.468 4.249 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nnc(C(C)C)s2)cc1 ZINC000426298715 1101224039 /nfs/dbraw/zinc/22/40/39/1101224039.db2.gz OPBZNAQBSHYAQB-AWEZNQCLSA-N 2 1 355.511 4.049 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H]1OCCc2sccc21 ZINC000426304174 1101237447 /nfs/dbraw/zinc/23/74/47/1101237447.db2.gz BWNFOHQAKVCXDV-JQZBISMTSA-N 2 1 362.583 4.383 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335904 1101300822 /nfs/dbraw/zinc/30/08/22/1101300822.db2.gz RFHJRMKVVDLTLU-ISTRZQFTSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335904 1101300831 /nfs/dbraw/zinc/30/08/31/1101300831.db2.gz RFHJRMKVVDLTLU-ISTRZQFTSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335906 1101301296 /nfs/dbraw/zinc/30/12/96/1101301296.db2.gz RFHJRMKVVDLTLU-SRCQZFHVSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335906 1101301303 /nfs/dbraw/zinc/30/13/03/1101301303.db2.gz RFHJRMKVVDLTLU-SRCQZFHVSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@H]([NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000643458574 1101304259 /nfs/dbraw/zinc/30/42/59/1101304259.db2.gz GPQNAIOQIHGNBW-GUBZILKMSA-N 2 1 355.326 4.054 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CCOCC1 ZINC000467383874 1101360741 /nfs/dbraw/zinc/36/07/41/1101360741.db2.gz GOKHGEJLYMJVOS-LJQANCHMSA-N 2 1 350.934 4.272 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640506 1101370388 /nfs/dbraw/zinc/37/03/88/1101370388.db2.gz LGWJDMCQCLQUOY-PGRDOPGGSA-N 2 1 365.521 4.160 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640506 1101370403 /nfs/dbraw/zinc/37/04/03/1101370403.db2.gz LGWJDMCQCLQUOY-PGRDOPGGSA-N 2 1 365.521 4.160 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3ccc(Cl)cc3)CCCC2)CC1 ZINC000536999082 1101385724 /nfs/dbraw/zinc/38/57/24/1101385724.db2.gz XISRQJSHCJBWNQ-QGZVFWFLSA-N 2 1 364.961 4.284 20 0 FIADMP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000349 1101387734 /nfs/dbraw/zinc/38/77/34/1101387734.db2.gz BKSROJDXAQVPRI-AUSIDOKSSA-N 2 1 352.497 4.431 20 0 FIADMP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000351 1101388461 /nfs/dbraw/zinc/38/84/61/1101388461.db2.gz BKSROJDXAQVPRI-WMZHIEFXSA-N 2 1 352.497 4.431 20 0 FIADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000666090389 1101494939 /nfs/dbraw/zinc/49/49/39/1101494939.db2.gz ZLSAWBQARPMSES-JRGCBEDISA-N 2 1 362.945 4.209 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000325418990 1101798846 /nfs/dbraw/zinc/79/88/46/1101798846.db2.gz NGPUSZUJRWYCNL-LLVKDONJSA-N 2 1 354.338 4.156 20 0 FIADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001167965505 1101863221 /nfs/dbraw/zinc/86/32/21/1101863221.db2.gz IJDMHQDGZNNVIU-BRTIRZTQSA-N 3 1 359.602 4.026 20 0 FIADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000519221751 1102017675 /nfs/dbraw/zinc/01/76/75/1102017675.db2.gz HQBIOFAPQTWYKK-ZDUSSCGKSA-N 2 1 368.308 4.180 20 0 FIADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183377 1102085474 /nfs/dbraw/zinc/08/54/74/1102085474.db2.gz PYWVTJBANDYGPH-GHTZIAJQSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183377 1102085486 /nfs/dbraw/zinc/08/54/86/1102085486.db2.gz PYWVTJBANDYGPH-GHTZIAJQSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183377 1102085500 /nfs/dbraw/zinc/08/55/00/1102085500.db2.gz PYWVTJBANDYGPH-GHTZIAJQSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183377 1102085520 /nfs/dbraw/zinc/08/55/20/1102085520.db2.gz PYWVTJBANDYGPH-GHTZIAJQSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631293 1102250879 /nfs/dbraw/zinc/25/08/79/1102250879.db2.gz KOSHPAAEAXVNTE-HSZRJFAPSA-N 2 1 366.553 4.195 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631293 1102250884 /nfs/dbraw/zinc/25/08/84/1102250884.db2.gz KOSHPAAEAXVNTE-HSZRJFAPSA-N 2 1 366.553 4.195 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537631293 1102250888 /nfs/dbraw/zinc/25/08/88/1102250888.db2.gz KOSHPAAEAXVNTE-HSZRJFAPSA-N 2 1 366.553 4.195 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000537631293 1102250896 /nfs/dbraw/zinc/25/08/96/1102250896.db2.gz KOSHPAAEAXVNTE-HSZRJFAPSA-N 2 1 366.553 4.195 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000120915067 1102279877 /nfs/dbraw/zinc/27/98/77/1102279877.db2.gz IQNQDYNAIMXSII-INIZCTEOSA-N 3 1 366.484 4.232 20 0 FIADMP Cc1cc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000532441732 1102330048 /nfs/dbraw/zinc/33/00/48/1102330048.db2.gz FZHKJDXWGQUDSK-YJBOKZPZSA-N 2 1 363.596 4.066 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532448475 1102345412 /nfs/dbraw/zinc/34/54/12/1102345412.db2.gz ZOVMGRKWOGTBQU-KRWDZBQOSA-N 2 1 365.521 4.262 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000532450099 1102347686 /nfs/dbraw/zinc/34/76/86/1102347686.db2.gz VVRUNHUVPZFCCB-LJQANCHMSA-N 2 1 367.940 4.078 20 0 FIADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000532479641 1102422652 /nfs/dbraw/zinc/42/26/52/1102422652.db2.gz LJHLELNHPRDGFZ-WMLDXEAASA-N 2 1 364.942 4.176 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(-n3ccnc3)c2)cc1 ZINC000532501306 1102429595 /nfs/dbraw/zinc/42/95/95/1102429595.db2.gz VTSYTEUOHCABFN-KRWDZBQOSA-N 2 1 357.461 4.217 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000532529782 1102446694 /nfs/dbraw/zinc/44/66/94/1102446694.db2.gz NUVBBKPRJOFKEF-SJORKVTESA-N 2 1 365.477 4.307 20 0 FIADMP COc1ccc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812581 1102554431 /nfs/dbraw/zinc/55/44/31/1102554431.db2.gz ZGFAVBGMNHXNDG-UGKGYDQZSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812581 1102554441 /nfs/dbraw/zinc/55/44/41/1102554441.db2.gz ZGFAVBGMNHXNDG-UGKGYDQZSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812581 1102554452 /nfs/dbraw/zinc/55/44/52/1102554452.db2.gz ZGFAVBGMNHXNDG-UGKGYDQZSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812581 1102554457 /nfs/dbraw/zinc/55/44/57/1102554457.db2.gz ZGFAVBGMNHXNDG-UGKGYDQZSA-N 2 1 352.522 4.223 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000303813720 1102554837 /nfs/dbraw/zinc/55/48/37/1102554837.db2.gz ZNNOURJCXLQRBN-GHTZIAJQSA-N 2 1 367.537 4.192 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000303813720 1102554841 /nfs/dbraw/zinc/55/48/41/1102554841.db2.gz ZNNOURJCXLQRBN-GHTZIAJQSA-N 2 1 367.537 4.192 20 0 FIADMP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000122400668 1102572825 /nfs/dbraw/zinc/57/28/25/1102572825.db2.gz YYHBTXJWNHHXAY-HOTGVXAUSA-N 2 1 360.473 4.187 20 0 FIADMP COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000122401254 1102573297 /nfs/dbraw/zinc/57/32/97/1102573297.db2.gz YYHBTXJWNHHXAY-HZPDHXFCSA-N 2 1 360.473 4.187 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000550882054 1102653432 /nfs/dbraw/zinc/65/34/32/1102653432.db2.gz HPYKZMUOLWBWHY-SCPDWHHUSA-N 2 1 370.581 4.330 20 0 FIADMP COc1ccc2c(c1)C[C@H]([N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168253282 1102655091 /nfs/dbraw/zinc/65/50/91/1102655091.db2.gz WVZZLIYPQJHKNO-YPAWHYETSA-N 2 1 356.554 4.315 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000550933653 1102712205 /nfs/dbraw/zinc/71/22/05/1102712205.db2.gz ULJKCPSYMXCONZ-UYAOXDASSA-N 2 1 358.913 4.316 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000550933653 1102712213 /nfs/dbraw/zinc/71/22/13/1102712213.db2.gz ULJKCPSYMXCONZ-UYAOXDASSA-N 2 1 358.913 4.316 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000123094421 1102770365 /nfs/dbraw/zinc/77/03/65/1102770365.db2.gz VQGOTDNILCJRTC-LJQANCHMSA-N 2 1 374.960 4.023 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000123094421 1102770374 /nfs/dbraw/zinc/77/03/74/1102770374.db2.gz VQGOTDNILCJRTC-LJQANCHMSA-N 2 1 374.960 4.023 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012509 1102782542 /nfs/dbraw/zinc/78/25/42/1102782542.db2.gz RLIXMRKNMIAUIN-RTBURBONSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012509 1102782553 /nfs/dbraw/zinc/78/25/53/1102782553.db2.gz RLIXMRKNMIAUIN-RTBURBONSA-N 2 1 359.311 4.374 20 0 FIADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)CCO4)CC3)cc1 ZINC000537659902 1102784730 /nfs/dbraw/zinc/78/47/30/1102784730.db2.gz RENBOSASZSJPLG-UHFFFAOYSA-N 2 1 362.517 4.110 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000129312809 1102785294 /nfs/dbraw/zinc/78/52/94/1102785294.db2.gz DQWZIIRKGGCCFI-HXUWFJFHSA-N 2 1 354.885 4.399 20 0 FIADMP Brc1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167982093 1102790685 /nfs/dbraw/zinc/79/06/85/1102790685.db2.gz WSYGZPMLNHGXMI-MQVJKMGUSA-N 2 1 369.372 4.048 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000506858386 1102862972 /nfs/dbraw/zinc/86/29/72/1102862972.db2.gz BRDDYKCLNVGCBZ-UHFFFAOYSA-N 2 1 368.949 4.301 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551052282 1102866198 /nfs/dbraw/zinc/86/61/98/1102866198.db2.gz ZOATZPOLEZCGDM-QZNHQXDQSA-N 2 1 367.512 4.220 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551052282 1102866217 /nfs/dbraw/zinc/86/62/17/1102866217.db2.gz ZOATZPOLEZCGDM-QZNHQXDQSA-N 2 1 367.512 4.220 20 0 FIADMP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2)cc1 ZINC000537692742 1102872409 /nfs/dbraw/zinc/87/24/09/1102872409.db2.gz MGKFADMEAGMBQX-TZRRMPRUSA-N 2 1 364.533 4.346 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459366294 1102931519 /nfs/dbraw/zinc/93/15/19/1102931519.db2.gz BVNAILIYTGVUGS-KRWDZBQOSA-N 2 1 350.510 4.018 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459366294 1102931522 /nfs/dbraw/zinc/93/15/22/1102931522.db2.gz BVNAILIYTGVUGS-KRWDZBQOSA-N 2 1 350.510 4.018 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000476988239 1102992208 /nfs/dbraw/zinc/99/22/08/1102992208.db2.gz VHHUFZSPXVUUCR-SFHVURJKSA-N 2 1 368.525 4.213 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000476988239 1102992213 /nfs/dbraw/zinc/99/22/13/1102992213.db2.gz VHHUFZSPXVUUCR-SFHVURJKSA-N 2 1 368.525 4.213 20 0 FIADMP CCCCc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000476990973 1102994830 /nfs/dbraw/zinc/99/48/30/1102994830.db2.gz XXNCVGGDVIRALK-QZTJIDSGSA-N 2 1 362.562 4.450 20 0 FIADMP CCCCc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000476990973 1102994835 /nfs/dbraw/zinc/99/48/35/1102994835.db2.gz XXNCVGGDVIRALK-QZTJIDSGSA-N 2 1 362.562 4.450 20 0 FIADMP CCCCc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000476990977 1102995048 /nfs/dbraw/zinc/99/50/48/1102995048.db2.gz XXNCVGGDVIRALK-ZWKOTPCHSA-N 2 1 362.562 4.450 20 0 FIADMP CCCCc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000476990977 1102995053 /nfs/dbraw/zinc/99/50/53/1102995053.db2.gz XXNCVGGDVIRALK-ZWKOTPCHSA-N 2 1 362.562 4.450 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000476991792 1102995669 /nfs/dbraw/zinc/99/56/69/1102995669.db2.gz ZHYICLOVFRSDLI-MRXNPFEDSA-N 2 1 359.489 4.443 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000476991792 1102995673 /nfs/dbraw/zinc/99/56/73/1102995673.db2.gz ZHYICLOVFRSDLI-MRXNPFEDSA-N 2 1 359.489 4.443 20 0 FIADMP C[C@@H](CCC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263644 1103023320 /nfs/dbraw/zinc/02/33/20/1103023320.db2.gz DDUREAVJZFVRRR-UGKGYDQZSA-N 2 1 356.554 4.084 20 0 FIADMP CCC[N@H+](Cc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532708031 1103025370 /nfs/dbraw/zinc/02/53/70/1103025370.db2.gz NHZYJGJHTBXCRI-UHFFFAOYSA-N 2 1 356.489 4.114 20 0 FIADMP CCC[N@@H+](Cc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532708031 1103025378 /nfs/dbraw/zinc/02/53/78/1103025378.db2.gz NHZYJGJHTBXCRI-UHFFFAOYSA-N 2 1 356.489 4.114 20 0 FIADMP CN(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000551267155 1103027672 /nfs/dbraw/zinc/02/76/72/1103027672.db2.gz MYBGZAHWBFOIIH-VHYCJAOWSA-N 2 1 365.565 4.322 20 0 FIADMP COc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c(F)c1 ZINC000551312999 1103068950 /nfs/dbraw/zinc/06/89/50/1103068950.db2.gz DZOPUAACOPBHTL-UHFFFAOYSA-N 2 1 356.485 4.367 20 0 FIADMP CCc1cccnc1[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000507481381 1103425817 /nfs/dbraw/zinc/42/58/17/1103425817.db2.gz CRUAUDXMGTYCMH-FHWLQOOXSA-N 2 1 351.538 4.451 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000507484048 1103431187 /nfs/dbraw/zinc/43/11/87/1103431187.db2.gz IRXKAQYCTOCPCH-VJFDXUIRSA-N 2 1 356.554 4.080 20 0 FIADMP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(-c2ccccc2)o1 ZINC000507515892 1103441449 /nfs/dbraw/zinc/44/14/49/1103441449.db2.gz VQHFGHLEQOIJFE-FKBYEOEOSA-N 2 1 373.500 4.342 20 0 FIADMP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(-c2ccccc2)o1 ZINC000507515892 1103441452 /nfs/dbraw/zinc/44/14/52/1103441452.db2.gz VQHFGHLEQOIJFE-FKBYEOEOSA-N 2 1 373.500 4.342 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]13)CCO2 ZINC000507515401 1103455797 /nfs/dbraw/zinc/45/57/97/1103455797.db2.gz UVSVHMBVPJQYGO-BRKWEVRTSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)CCO2 ZINC000507515401 1103455809 /nfs/dbraw/zinc/45/58/09/1103455809.db2.gz UVSVHMBVPJQYGO-BRKWEVRTSA-N 2 1 366.480 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187997016 1103733048 /nfs/dbraw/zinc/73/30/48/1103733048.db2.gz QVUGGMKIAPWIIX-IIYDPXPESA-N 2 1 358.423 4.194 20 0 FIADMP COC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789933 1103853892 /nfs/dbraw/zinc/85/38/92/1103853892.db2.gz IDSRTACGPAATKR-GHTZIAJQSA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789933 1103853908 /nfs/dbraw/zinc/85/39/08/1103853908.db2.gz IDSRTACGPAATKR-GHTZIAJQSA-N 2 1 358.913 4.139 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000519863493 1103912465 /nfs/dbraw/zinc/91/24/65/1103912465.db2.gz TXSFJQKDAJRARH-SFTDATJTSA-N 2 1 354.542 4.076 20 0 FIADMP CCCN1CCC([NH2+]CC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000538194646 1104030966 /nfs/dbraw/zinc/03/09/66/1104030966.db2.gz KKBADJCFQFGQNL-UHFFFAOYSA-N 2 1 357.586 4.143 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000461081808 1104082755 /nfs/dbraw/zinc/08/27/55/1104082755.db2.gz BOIFXYPHOITUCJ-HKUYNNGSSA-N 2 1 362.558 4.082 20 0 FIADMP OCCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228529 1104189870 /nfs/dbraw/zinc/18/98/70/1104189870.db2.gz TYTGNEPSIHOGTF-GOTSBHOMSA-N 2 1 364.533 4.287 20 0 FIADMP OCCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228529 1104189875 /nfs/dbraw/zinc/18/98/75/1104189875.db2.gz TYTGNEPSIHOGTF-GOTSBHOMSA-N 2 1 364.533 4.287 20 0 FIADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354849 1104294691 /nfs/dbraw/zinc/29/46/91/1104294691.db2.gz NRNSSGWXTYFLBL-QFIPXVFZSA-N 2 1 365.521 4.245 20 0 FIADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354849 1104294697 /nfs/dbraw/zinc/29/46/97/1104294697.db2.gz NRNSSGWXTYFLBL-QFIPXVFZSA-N 2 1 365.521 4.245 20 0 FIADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354849 1104294702 /nfs/dbraw/zinc/29/47/02/1104294702.db2.gz NRNSSGWXTYFLBL-QFIPXVFZSA-N 2 1 365.521 4.245 20 0 FIADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441354849 1104294708 /nfs/dbraw/zinc/29/47/08/1104294708.db2.gz NRNSSGWXTYFLBL-QFIPXVFZSA-N 2 1 365.521 4.245 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394327 1104328572 /nfs/dbraw/zinc/32/85/72/1104328572.db2.gz OHRBHWPSYDOZFQ-IDHHARJASA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394327 1104328582 /nfs/dbraw/zinc/32/85/82/1104328582.db2.gz OHRBHWPSYDOZFQ-IDHHARJASA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394327 1104328592 /nfs/dbraw/zinc/32/85/92/1104328592.db2.gz OHRBHWPSYDOZFQ-IDHHARJASA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441394327 1104328601 /nfs/dbraw/zinc/32/86/01/1104328601.db2.gz OHRBHWPSYDOZFQ-IDHHARJASA-N 2 1 350.453 4.298 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000520407837 1104330212 /nfs/dbraw/zinc/33/02/12/1104330212.db2.gz VKEIEBYFOMQXTL-IBGZPJMESA-N 2 1 371.569 4.193 20 0 FIADMP c1ccc(C[C@H]2CC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000189189436 1104785600 /nfs/dbraw/zinc/78/56/00/1104785600.db2.gz XVZASZKVONEDOQ-YADHBBJMSA-N 2 1 356.554 4.023 20 0 FIADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2Sc2ccc(Cl)cc2)CCO1 ZINC001204757543 1105198869 /nfs/dbraw/zinc/19/88/69/1105198869.db2.gz ZMNIMCVFAKHZFN-KRWDZBQOSA-N 2 1 362.926 4.041 20 0 FIADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2Sc2ccc(Cl)cc2)CCO1 ZINC001204757543 1105198873 /nfs/dbraw/zinc/19/88/73/1105198873.db2.gz ZMNIMCVFAKHZFN-KRWDZBQOSA-N 2 1 362.926 4.041 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]Cc3ccncc3OCCC[NH+](C)C)oc2c1 ZINC000579639454 1105222965 /nfs/dbraw/zinc/22/29/65/1105222965.db2.gz OUVZDYPHHDPBFJ-KRWDZBQOSA-N 2 1 367.493 4.318 20 0 FIADMP COc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168009929 1105226371 /nfs/dbraw/zinc/22/63/71/1105226371.db2.gz IPWLDQXXUOPEBQ-CEQLMSFQSA-N 2 1 368.521 4.105 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834395 1105241065 /nfs/dbraw/zinc/24/10/65/1105241065.db2.gz UPTNRNGDGHWFCB-PMACEKPBSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834395 1105241070 /nfs/dbraw/zinc/24/10/70/1105241070.db2.gz UPTNRNGDGHWFCB-PMACEKPBSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834395 1105241073 /nfs/dbraw/zinc/24/10/73/1105241073.db2.gz UPTNRNGDGHWFCB-PMACEKPBSA-N 2 1 366.553 4.174 20 0 FIADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000427831446 1105290420 /nfs/dbraw/zinc/29/04/20/1105290420.db2.gz KBCPEIYOZMBHHK-LMMKCTJWSA-N 2 1 352.526 4.114 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000427866783 1105304194 /nfs/dbraw/zinc/30/41/94/1105304194.db2.gz MIOPJNCBRNHOJK-FXAWDEMLSA-N 2 1 355.551 4.194 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000427866783 1105304203 /nfs/dbraw/zinc/30/42/03/1105304203.db2.gz MIOPJNCBRNHOJK-FXAWDEMLSA-N 2 1 355.551 4.194 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000390836996 1106750609 /nfs/dbraw/zinc/75/06/09/1106750609.db2.gz AMXDBGNCPCAYKM-NHCUHLMSSA-N 2 1 356.554 4.369 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000390836996 1106750626 /nfs/dbraw/zinc/75/06/26/1106750626.db2.gz AMXDBGNCPCAYKM-NHCUHLMSSA-N 2 1 356.554 4.369 20 0 FIADMP CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168064329 1106857831 /nfs/dbraw/zinc/85/78/31/1106857831.db2.gz QKNZJFVKJPIRNF-NJKFVAIMSA-N 2 1 372.553 4.092 20 0 FIADMP CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168064329 1106857845 /nfs/dbraw/zinc/85/78/45/1106857845.db2.gz QKNZJFVKJPIRNF-NJKFVAIMSA-N 2 1 372.553 4.092 20 0 FIADMP CCOC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168064329 1106857867 /nfs/dbraw/zinc/85/78/67/1106857867.db2.gz QKNZJFVKJPIRNF-NJKFVAIMSA-N 2 1 372.553 4.092 20 0 FIADMP CCOC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168064329 1106857880 /nfs/dbraw/zinc/85/78/80/1106857880.db2.gz QKNZJFVKJPIRNF-NJKFVAIMSA-N 2 1 372.553 4.092 20 0 FIADMP C[C@@H]1CC([N@H+]2CCC[C@H]2c2cnccn2)C[C@@H](C)N1Cc1ccccc1 ZINC001168065257 1106903192 /nfs/dbraw/zinc/90/31/92/1106903192.db2.gz VFHJIHIGCNZTAS-HMFYCAOWSA-N 2 1 350.510 4.055 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451142698 1106951421 /nfs/dbraw/zinc/95/14/21/1106951421.db2.gz FEVJHZYBYPHHGT-UHFFFAOYSA-N 2 1 353.388 4.149 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000530460250 1107055019 /nfs/dbraw/zinc/05/50/19/1107055019.db2.gz CODGXBNXHIRNPL-INIZCTEOSA-N 2 1 368.706 4.119 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000530513270 1107107761 /nfs/dbraw/zinc/10/77/61/1107107761.db2.gz YLXFDYGNAZMDMN-FQEVSTJZSA-N 2 1 357.860 4.329 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1ncnc2c1cnn2C(C)(C)C ZINC000301840708 1107178099 /nfs/dbraw/zinc/17/80/99/1107178099.db2.gz OYNXPQLOSJMPMH-UHFFFAOYSA-N 2 1 366.513 4.034 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000530665914 1107221847 /nfs/dbraw/zinc/22/18/47/1107221847.db2.gz ODSWMHLNSBZZCP-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000530665914 1107221860 /nfs/dbraw/zinc/22/18/60/1107221860.db2.gz ODSWMHLNSBZZCP-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C\c2ccc(Br)cc2)CC[N@@H+]1C ZINC000530666142 1107222295 /nfs/dbraw/zinc/22/22/95/1107222295.db2.gz TUYQRHVJPUBSJS-CLUARGJDSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CC/C=C\c2ccc(Br)cc2)CC[N@H+]1C ZINC000530666142 1107222305 /nfs/dbraw/zinc/22/23/05/1107222305.db2.gz TUYQRHVJPUBSJS-CLUARGJDSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CC/C=C\c2ccc(Br)cc2)CC[NH+]1C ZINC000530666142 1107222314 /nfs/dbraw/zinc/22/23/14/1107222314.db2.gz TUYQRHVJPUBSJS-CLUARGJDSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CC/C=C\c2ccc(Br)cc2)CC[NH+]1C ZINC000530666142 1107222325 /nfs/dbraw/zinc/22/23/25/1107222325.db2.gz TUYQRHVJPUBSJS-CLUARGJDSA-N 2 1 351.332 4.267 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662499 1107234016 /nfs/dbraw/zinc/23/40/16/1107234016.db2.gz PANMIBQPRIECOQ-GCJKJVERSA-N 2 1 365.521 4.244 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662499 1107234031 /nfs/dbraw/zinc/23/40/31/1107234031.db2.gz PANMIBQPRIECOQ-GCJKJVERSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662499 1107234043 /nfs/dbraw/zinc/23/40/43/1107234043.db2.gz PANMIBQPRIECOQ-GCJKJVERSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662499 1107234054 /nfs/dbraw/zinc/23/40/54/1107234054.db2.gz PANMIBQPRIECOQ-GCJKJVERSA-N 2 1 365.521 4.244 20 0 FIADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434353 1107455278 /nfs/dbraw/zinc/45/52/78/1107455278.db2.gz KZVGBAQAQQCUGX-JPYJTQIMSA-N 2 1 368.496 4.192 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@@H](c4cccc(F)c4)C3)sc2C1 ZINC000475555700 1107724391 /nfs/dbraw/zinc/72/43/91/1107724391.db2.gz NCYYTPABGNJFPX-AEFFLSMTSA-N 2 1 373.541 4.475 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H](c4cccc(F)c4)C3)sc2C1 ZINC000475555701 1107725099 /nfs/dbraw/zinc/72/50/99/1107725099.db2.gz NCYYTPABGNJFPX-FUHWJXTLSA-N 2 1 373.541 4.475 20 0 FIADMP COc1cc2c(c(C[NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)c1)O[C@H](C)C2 ZINC000237477547 1107745474 /nfs/dbraw/zinc/74/54/74/1107745474.db2.gz YXGWSHJKVQTBID-QGZVFWFLSA-N 2 1 368.521 4.149 20 0 FIADMP CCc1nc(C)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366707 1107900068 /nfs/dbraw/zinc/90/00/68/1107900068.db2.gz YWLBLOUMVNMRIY-WOJBJXKFSA-N 2 1 353.510 4.032 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2sccc21 ZINC000453059815 1108137286 /nfs/dbraw/zinc/13/72/86/1108137286.db2.gz AHRGJRBXELXSRI-UTKZUKDTSA-N 2 1 369.578 4.224 20 0 FIADMP c1csc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453144445 1108195284 /nfs/dbraw/zinc/19/52/84/1108195284.db2.gz MNIXZEQBXUHGPH-SLFFLAALSA-N 2 1 355.551 4.109 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178834 1108222830 /nfs/dbraw/zinc/22/28/30/1108222830.db2.gz TWKVYAPCONHUGX-RTBURBONSA-N 2 1 354.542 4.106 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453155341 1108224313 /nfs/dbraw/zinc/22/43/13/1108224313.db2.gz BASAEAOBKMMIDY-YUMYIRISSA-N 2 1 354.538 4.121 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453194812 1108264168 /nfs/dbraw/zinc/26/41/68/1108264168.db2.gz IGLUSVHWENVHJE-TXTKFYIRSA-N 2 1 351.538 4.293 20 0 FIADMP Clc1ccccc1C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCO1 ZINC000453231454 1108303796 /nfs/dbraw/zinc/30/37/96/1108303796.db2.gz WFFODLUMDRCEGG-RQWVFBBXSA-N 2 1 362.945 4.037 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294634 1108369839 /nfs/dbraw/zinc/36/98/39/1108369839.db2.gz WTDPKVHDSHEQFK-CRAIPNDOSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294634 1108369853 /nfs/dbraw/zinc/36/98/53/1108369853.db2.gz WTDPKVHDSHEQFK-CRAIPNDOSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294643 1108369909 /nfs/dbraw/zinc/36/99/09/1108369909.db2.gz WTDPKVHDSHEQFK-QAPCUYQASA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294643 1108369922 /nfs/dbraw/zinc/36/99/22/1108369922.db2.gz WTDPKVHDSHEQFK-QAPCUYQASA-N 2 1 363.427 4.101 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC4(CCC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453331659 1108388311 /nfs/dbraw/zinc/38/83/11/1108388311.db2.gz ZQCFLUHLEUHZHB-LUKWVAJMSA-N 2 1 368.565 4.369 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1 ZINC000531945445 1108390939 /nfs/dbraw/zinc/39/09/39/1108390939.db2.gz YUXFNWBSNSCHCG-QRWLVFNGSA-N 2 1 354.523 4.196 20 0 FIADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453310468 1108396913 /nfs/dbraw/zinc/39/69/13/1108396913.db2.gz QTUGEHDIVYSSFK-ZCNNSNEGSA-N 2 1 355.551 4.027 20 0 FIADMP FCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000453316458 1108405281 /nfs/dbraw/zinc/40/52/81/1108405281.db2.gz WVOFXCWRWJQXOW-YPAWHYETSA-N 2 1 374.544 4.033 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOCCc2ccccc2)cc1 ZINC000531939407 1108416059 /nfs/dbraw/zinc/41/60/59/1108416059.db2.gz GEVUCNVEUGEGQM-LJQANCHMSA-N 2 1 363.505 4.481 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F)C1CC1 ZINC000453388620 1108474058 /nfs/dbraw/zinc/47/40/58/1108474058.db2.gz BTGCPFOIIDXYAI-MRXNPFEDSA-N 2 1 355.295 4.040 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000523871567 1108621313 /nfs/dbraw/zinc/62/13/13/1108621313.db2.gz DZUTZHJVXXVARO-MRXNPFEDSA-N 2 1 374.326 4.452 20 0 FIADMP CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000532188191 1108698823 /nfs/dbraw/zinc/69/88/23/1108698823.db2.gz IPHZRKJPAWJIJT-LJQANCHMSA-N 2 1 352.522 4.493 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000532193586 1108701310 /nfs/dbraw/zinc/70/13/10/1108701310.db2.gz QDXAORRQTCSRCV-INIZCTEOSA-N 2 1 362.477 4.380 20 0 FIADMP CC(C)N1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000532226010 1108722125 /nfs/dbraw/zinc/72/21/25/1108722125.db2.gz LPKXKHDOEFPMQO-UHFFFAOYSA-N 2 1 371.613 4.184 20 0 FIADMP COc1ccc(CNCCC[N@@H+](C)C2CCCCC2)c(OC(F)F)c1 ZINC000524457248 1109019927 /nfs/dbraw/zinc/01/99/27/1109019927.db2.gz WNASIZIQIRNTST-UHFFFAOYSA-N 2 1 356.457 4.041 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000524991504 1109230792 /nfs/dbraw/zinc/23/07/92/1109230792.db2.gz ZTPOTNYOBHDISW-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000524991504 1109230797 /nfs/dbraw/zinc/23/07/97/1109230797.db2.gz ZTPOTNYOBHDISW-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000524991504 1109230803 /nfs/dbraw/zinc/23/08/03/1109230803.db2.gz ZTPOTNYOBHDISW-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000525119433 1109269121 /nfs/dbraw/zinc/26/91/21/1109269121.db2.gz GOMZCGXJJBAICG-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000525119433 1109269123 /nfs/dbraw/zinc/26/91/23/1109269123.db2.gz GOMZCGXJJBAICG-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC000446837214 1109356686 /nfs/dbraw/zinc/35/66/86/1109356686.db2.gz VRILNJKMSYFMDV-JOCHJYFZSA-N 2 1 356.510 4.206 20 0 FIADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781292 1109516675 /nfs/dbraw/zinc/51/66/75/1109516675.db2.gz MDLZCBPUXLKESB-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP C[N@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781292 1109516677 /nfs/dbraw/zinc/51/66/77/1109516677.db2.gz MDLZCBPUXLKESB-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781292 1109516680 /nfs/dbraw/zinc/51/66/80/1109516680.db2.gz MDLZCBPUXLKESB-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1cccc(OC(F)F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781292 1109516682 /nfs/dbraw/zinc/51/66/82/1109516682.db2.gz MDLZCBPUXLKESB-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000447542635 1109573314 /nfs/dbraw/zinc/57/33/14/1109573314.db2.gz PFQGQVRLSJEJPU-SJORKVTESA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000447542635 1109573318 /nfs/dbraw/zinc/57/33/18/1109573318.db2.gz PFQGQVRLSJEJPU-SJORKVTESA-N 2 1 370.493 4.291 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccc4c(n2)CCCC4)C3)cc1 ZINC000447573868 1109578583 /nfs/dbraw/zinc/57/85/83/1109578583.db2.gz UEGMBTWYNFKWTN-NUNAXRQHSA-N 2 1 361.533 4.246 20 0 FIADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(n2)CCCC4)C3)cc1 ZINC000447573868 1109578586 /nfs/dbraw/zinc/57/85/86/1109578586.db2.gz UEGMBTWYNFKWTN-NUNAXRQHSA-N 2 1 361.533 4.246 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(n2)CCCC4)C3)cc1 ZINC000447573868 1109578590 /nfs/dbraw/zinc/57/85/90/1109578590.db2.gz UEGMBTWYNFKWTN-NUNAXRQHSA-N 2 1 361.533 4.246 20 0 FIADMP FC(F)(F)c1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000447732809 1109634815 /nfs/dbraw/zinc/63/48/15/1109634815.db2.gz YBHWZERFQFLYII-UHFFFAOYSA-N 2 1 361.477 4.250 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527640617 1109792285 /nfs/dbraw/zinc/79/22/85/1109792285.db2.gz NFRMZBWEYVBEBW-PKTZIBPZSA-N 2 1 357.586 4.110 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C2CC2)cn1 ZINC000528042504 1109891564 /nfs/dbraw/zinc/89/15/64/1109891564.db2.gz FWQOROFVRYNQAW-BSLALVQMSA-N 2 1 357.542 4.174 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C2CC2)cn1 ZINC000528044827 1109897679 /nfs/dbraw/zinc/89/76/79/1109897679.db2.gz VMXIYVCPQDWDHW-SAWYMBPVSA-N 2 1 357.542 4.174 20 0 FIADMP c1c2cccnc2oc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049221 1109967932 /nfs/dbraw/zinc/96/79/32/1109967932.db2.gz RGZIZRMOFDSENN-IRLDBZIGSA-N 2 1 361.489 4.314 20 0 FIADMP Fc1ccccc1-c1ncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051030 1109968467 /nfs/dbraw/zinc/96/84/67/1109968467.db2.gz WLVIAJMRSKFMEG-YWZLYKJASA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000449051030 1109968472 /nfs/dbraw/zinc/96/84/72/1109968472.db2.gz WLVIAJMRSKFMEG-YWZLYKJASA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051030 1109968474 /nfs/dbraw/zinc/96/84/74/1109968474.db2.gz WLVIAJMRSKFMEG-YWZLYKJASA-N 2 1 371.525 4.398 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C[C@@H](C)c3cc(F)cc(F)c3)CCCC2)CC1 ZINC000449154638 1109987134 /nfs/dbraw/zinc/98/71/34/1109987134.db2.gz NYZNRWHEUSXCQV-MRXNPFEDSA-N 2 1 366.496 4.082 20 0 FIADMP CC(C)COc1ccccc1CNC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000449209334 1109996090 /nfs/dbraw/zinc/99/60/90/1109996090.db2.gz PLGOTSCGYWJOQC-IBGZPJMESA-N 2 1 367.537 4.432 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343239 1110034718 /nfs/dbraw/zinc/03/47/18/1110034718.db2.gz IXGLJMWFHLZNFB-XZOQPEGZSA-N 2 1 370.581 4.474 20 0 FIADMP C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449440413 1110080217 /nfs/dbraw/zinc/08/02/17/1110080217.db2.gz ZHJBMHVCMPIKGA-YJBOKZPZSA-N 2 1 363.427 4.101 20 0 FIADMP CC(=O)c1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000450344603 1110285406 /nfs/dbraw/zinc/28/54/06/1110285406.db2.gz IGTFTCVBBQNLMN-UHFFFAOYSA-N 2 1 350.506 4.233 20 0 FIADMP CC[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000450633218 1110322800 /nfs/dbraw/zinc/32/28/00/1110322800.db2.gz XVMHAXOKNSQFMW-GOSISDBHSA-N 2 1 358.357 4.014 20 0 FIADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000538407619 1111129289 /nfs/dbraw/zinc/12/92/89/1111129289.db2.gz HTBIJJKAXYZBRU-IBGZPJMESA-N 2 1 350.506 4.487 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000538721579 1111262091 /nfs/dbraw/zinc/26/20/91/1111262091.db2.gz RTMVHTDAPHJZAL-GASCZTMLSA-N 2 1 356.963 4.113 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746667 1111279152 /nfs/dbraw/zinc/27/91/52/1111279152.db2.gz RCVVIQFBZDPNJC-XQBPLPMBSA-N 2 1 351.538 4.314 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746667 1111279154 /nfs/dbraw/zinc/27/91/54/1111279154.db2.gz RCVVIQFBZDPNJC-XQBPLPMBSA-N 2 1 351.538 4.314 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)CC2)cc1 ZINC000539036624 1111397501 /nfs/dbraw/zinc/39/75/01/1111397501.db2.gz INYKZZYOGXCFJX-GMAHTHKFSA-N 2 1 350.506 4.018 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060193 1111406631 /nfs/dbraw/zinc/40/66/31/1111406631.db2.gz PZAVOMHUYCQTJP-UYHISHBKSA-N 2 1 357.325 4.022 20 0 FIADMP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccccc2)n1 ZINC000539397975 1111549557 /nfs/dbraw/zinc/54/95/57/1111549557.db2.gz CXMRCIUIDURKKX-FQEVSTJZSA-N 2 1 366.553 4.175 20 0 FIADMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccccc2)n1 ZINC000539397975 1111549562 /nfs/dbraw/zinc/54/95/62/1111549562.db2.gz CXMRCIUIDURKKX-FQEVSTJZSA-N 2 1 366.553 4.175 20 0 FIADMP CN(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccsc1 ZINC000552040654 1111554013 /nfs/dbraw/zinc/55/40/13/1111554013.db2.gz IAERYXKTGBHCDK-LZBANZJXSA-N 2 1 371.594 4.384 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCC(=O)OC(C)(C)C)CC1 ZINC000552247403 1111627776 /nfs/dbraw/zinc/62/77/76/1111627776.db2.gz OCIXWNSNEXHTHN-UHFFFAOYSA-N 2 1 360.542 4.141 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000552258324 1111638810 /nfs/dbraw/zinc/63/88/10/1111638810.db2.gz DMMDQSWACMCYPH-GBBGEASQSA-N 2 1 352.444 4.414 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552272780 1111654317 /nfs/dbraw/zinc/65/43/17/1111654317.db2.gz AAJXXQDQIUOTOI-UHFFFAOYSA-N 2 1 366.553 4.195 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000478051469 1111666074 /nfs/dbraw/zinc/66/60/74/1111666074.db2.gz CAHNXSJNXDOBBM-IBGZPJMESA-N 2 1 368.569 4.092 20 0 FIADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccc3ccccc3n1)c1ccccc1O2 ZINC000552413348 1111699805 /nfs/dbraw/zinc/69/98/05/1111699805.db2.gz YCCIJXIUFQRFOH-QFIPXVFZSA-N 2 1 373.500 4.313 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000062427139 1111814542 /nfs/dbraw/zinc/81/45/42/1111814542.db2.gz UZGLGKMRQKUDTH-INIZCTEOSA-N 2 1 368.949 4.347 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000062427139 1111814552 /nfs/dbraw/zinc/81/45/52/1111814552.db2.gz UZGLGKMRQKUDTH-INIZCTEOSA-N 2 1 368.949 4.347 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055368 1111938056 /nfs/dbraw/zinc/93/80/56/1111938056.db2.gz FICPBTQCSNDUSM-HACGYAERSA-N 2 1 351.332 4.244 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055368 1111938059 /nfs/dbraw/zinc/93/80/59/1111938059.db2.gz FICPBTQCSNDUSM-HACGYAERSA-N 2 1 351.332 4.244 20 0 FIADMP CN(c1ccnc2ccc(Br)cc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000553297292 1111943512 /nfs/dbraw/zinc/94/35/12/1111943512.db2.gz OVANSJFRZFGJHX-YIONKMFJSA-N 2 1 360.299 4.059 20 0 FIADMP CN(c1cc[nH+]c2ccc(Br)cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000553297292 1111943514 /nfs/dbraw/zinc/94/35/14/1111943514.db2.gz OVANSJFRZFGJHX-YIONKMFJSA-N 2 1 360.299 4.059 20 0 FIADMP CN(c1cc[nH+]c2ccc(Br)cc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000553297292 1111943516 /nfs/dbraw/zinc/94/35/16/1111943516.db2.gz OVANSJFRZFGJHX-YIONKMFJSA-N 2 1 360.299 4.059 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000479336962 1111999170 /nfs/dbraw/zinc/99/91/70/1111999170.db2.gz PPKSONPUOWHSSP-RLFYNMQTSA-N 2 1 367.306 4.256 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000479336962 1111999173 /nfs/dbraw/zinc/99/91/73/1111999173.db2.gz PPKSONPUOWHSSP-RLFYNMQTSA-N 2 1 367.306 4.256 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000479344000 1112001430 /nfs/dbraw/zinc/00/14/30/1112001430.db2.gz KYHIBPPZMGFDMP-KGVIQGDOSA-N 2 1 366.553 4.065 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000479681620 1112112230 /nfs/dbraw/zinc/11/22/30/1112112230.db2.gz BOGMBBIAZYDAGZ-IBGZPJMESA-N 2 1 354.542 4.186 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCCO2 ZINC000479861419 1112177636 /nfs/dbraw/zinc/17/76/36/1112177636.db2.gz QIDFNSOHNUGZFS-QFIPXVFZSA-N 2 1 350.506 4.463 20 0 FIADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480022875 1112235376 /nfs/dbraw/zinc/23/53/76/1112235376.db2.gz VZMOFSKHZKPDOL-ZCNNSNEGSA-N 2 1 352.522 4.455 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000554349381 1112311554 /nfs/dbraw/zinc/31/15/54/1112311554.db2.gz KTWBMRTYDJJZOM-LZQZEXGQSA-N 2 1 370.459 4.118 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000480171371 1112315331 /nfs/dbraw/zinc/31/53/31/1112315331.db2.gz KLRDBDHBRIILAY-QGZVFWFLSA-N 2 1 355.295 4.040 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000480225875 1112338999 /nfs/dbraw/zinc/33/89/99/1112338999.db2.gz NEDWHCCVWBIGLX-INIZCTEOSA-N 2 1 361.917 4.306 20 0 FIADMP CC[N@H+](Cc1cc(COC)cs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684029 1112452967 /nfs/dbraw/zinc/45/29/67/1112452967.db2.gz ILENFQIWXIUZTJ-IBGZPJMESA-N 2 1 358.551 4.239 20 0 FIADMP CC[NH+](Cc1cc(COC)cs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684029 1112452970 /nfs/dbraw/zinc/45/29/70/1112452970.db2.gz ILENFQIWXIUZTJ-IBGZPJMESA-N 2 1 358.551 4.239 20 0 FIADMP CC[NH+](Cc1cc(COC)cs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684029 1112452973 /nfs/dbraw/zinc/45/29/73/1112452973.db2.gz ILENFQIWXIUZTJ-IBGZPJMESA-N 2 1 358.551 4.239 20 0 FIADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480552631 1112472634 /nfs/dbraw/zinc/47/26/34/1112472634.db2.gz JREOWLBGSGVITR-HXUWFJFHSA-N 2 1 369.553 4.266 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000480615898 1112502883 /nfs/dbraw/zinc/50/28/83/1112502883.db2.gz VTHIATNWBXTJCR-RBUKOAKNSA-N 2 1 369.557 4.047 20 0 FIADMP Cc1ccncc1CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000554861685 1112526922 /nfs/dbraw/zinc/52/69/22/1112526922.db2.gz PFPVMNALJDWZCQ-NPHXMPSESA-N 2 1 351.538 4.069 20 0 FIADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)CC1 ZINC000480670108 1112537798 /nfs/dbraw/zinc/53/77/98/1112537798.db2.gz LMBADRFQVIUJAW-UHFFFAOYSA-N 2 1 374.532 4.394 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745485 1112583628 /nfs/dbraw/zinc/58/36/28/1112583628.db2.gz OLIAEJIZOAIMMU-LQAWEQHXSA-N 2 1 355.295 4.112 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745485 1112583635 /nfs/dbraw/zinc/58/36/35/1112583635.db2.gz OLIAEJIZOAIMMU-LQAWEQHXSA-N 2 1 355.295 4.112 20 0 FIADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000480755252 1112588193 /nfs/dbraw/zinc/58/81/93/1112588193.db2.gz GNGLXXYPOSAXAS-BFHYXJOUSA-N 2 1 357.325 4.223 20 0 FIADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000480777964 1112593378 /nfs/dbraw/zinc/59/33/78/1112593378.db2.gz WLWQAEHOVQKFTI-FQEVSTJZSA-N 2 1 351.966 4.189 20 0 FIADMP Cc1ccsc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000480782767 1112595366 /nfs/dbraw/zinc/59/53/66/1112595366.db2.gz XTIPIWJXZSJJMV-ICSRJNTNSA-N 2 1 357.567 4.086 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914691 1112668444 /nfs/dbraw/zinc/66/84/44/1112668444.db2.gz VFOMUZMYYHTFRX-DVECYGJZSA-N 2 1 363.549 4.162 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536837 1112913543 /nfs/dbraw/zinc/91/35/43/1112913543.db2.gz ABJGDEPZEZCZIM-WBVHZDCISA-N 2 1 365.359 4.016 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000481556793 1112980529 /nfs/dbraw/zinc/98/05/29/1112980529.db2.gz KJMHXPAYXRAOOF-MAUKXSAKSA-N 2 1 354.460 4.447 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579314 1112988121 /nfs/dbraw/zinc/98/81/21/1112988121.db2.gz IETHBCCDBFMRPL-WMZHIEFXSA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579314 1112988122 /nfs/dbraw/zinc/98/81/22/1112988122.db2.gz IETHBCCDBFMRPL-WMZHIEFXSA-N 2 1 352.522 4.457 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481673320 1113028069 /nfs/dbraw/zinc/02/80/69/1113028069.db2.gz SUOASLZKUILRPK-MRXNPFEDSA-N 2 1 372.475 4.115 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732139 1113058792 /nfs/dbraw/zinc/05/87/92/1113058792.db2.gz DWZRYNCQVUZFRU-SJORKVTESA-N 2 1 355.295 4.113 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481742444 1113064443 /nfs/dbraw/zinc/06/44/43/1113064443.db2.gz ZADGNZBEOSMTLA-QGZVFWFLSA-N 2 1 366.278 4.224 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC[C@@H](c4ccccc4F)C3)sc2C1 ZINC000481807344 1113084431 /nfs/dbraw/zinc/08/44/31/1113084431.db2.gz BYNFQGVYOREEFH-CVEARBPZSA-N 2 1 373.541 4.475 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@@H](c4ccccc4F)C3)sc2C1 ZINC000481807344 1113084435 /nfs/dbraw/zinc/08/44/35/1113084435.db2.gz BYNFQGVYOREEFH-CVEARBPZSA-N 2 1 373.541 4.475 20 0 FIADMP CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCn1cc[nH+]c1C ZINC000481813066 1113090965 /nfs/dbraw/zinc/09/09/65/1113090965.db2.gz FIJOTACPSCJGDV-KRWDZBQOSA-N 2 1 364.331 4.297 20 0 FIADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000481813066 1113090967 /nfs/dbraw/zinc/09/09/67/1113090967.db2.gz FIJOTACPSCJGDV-KRWDZBQOSA-N 2 1 364.331 4.297 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000481886568 1113124243 /nfs/dbraw/zinc/12/42/43/1113124243.db2.gz AZHKGQCLTKCEAK-UHFFFAOYSA-N 2 1 370.493 4.039 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000481886568 1113124245 /nfs/dbraw/zinc/12/42/45/1113124245.db2.gz AZHKGQCLTKCEAK-UHFFFAOYSA-N 2 1 370.493 4.039 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000481907038 1113134666 /nfs/dbraw/zinc/13/46/66/1113134666.db2.gz GTWJTLLOCXRRPQ-XLIONFOSSA-N 2 1 357.567 4.309 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995490 1113151651 /nfs/dbraw/zinc/15/16/51/1113151651.db2.gz VMRHYUKBAPSPSP-HTAPYJJXSA-N 2 1 365.496 4.350 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995490 1113151653 /nfs/dbraw/zinc/15/16/53/1113151653.db2.gz VMRHYUKBAPSPSP-HTAPYJJXSA-N 2 1 365.496 4.350 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000482074766 1113171923 /nfs/dbraw/zinc/17/19/23/1113171923.db2.gz KYNHVFUTXQYOBK-MOXWOTFGSA-N 2 1 362.533 4.188 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc3ccccc32)[C@@H](C)C1 ZINC000482137658 1113179545 /nfs/dbraw/zinc/17/95/45/1113179545.db2.gz MZJZHNIEVFQSDI-RDPSFJRHSA-N 2 1 368.565 4.499 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC000482128818 1113184010 /nfs/dbraw/zinc/18/40/10/1113184010.db2.gz AXBFMZUAILPIKJ-QZTJIDSGSA-N 2 1 365.587 4.102 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C ZINC000482166485 1113189999 /nfs/dbraw/zinc/18/99/99/1113189999.db2.gz VANNZERAVFSOLK-HSALFYBXSA-N 2 1 359.558 4.121 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000482251077 1113210563 /nfs/dbraw/zinc/21/05/63/1113210563.db2.gz BAEWSNVHVMWSEV-YADARESESA-N 2 1 374.532 4.028 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434946 1113254025 /nfs/dbraw/zinc/25/40/25/1113254025.db2.gz HGGDXCWGMARFSB-OFNKIYASSA-N 2 1 352.522 4.301 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000482438632 1113255171 /nfs/dbraw/zinc/25/51/71/1113255171.db2.gz MTPPNJBBWAZZIL-UYAOXDASSA-N 2 1 369.528 4.107 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441435 1113257183 /nfs/dbraw/zinc/25/71/83/1113257183.db2.gz VBGJVNANOBGTBG-IRLDBZIGSA-N 2 1 374.532 4.088 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447798 1113259433 /nfs/dbraw/zinc/25/94/33/1113259433.db2.gz MVQGCRGVAPIARH-NVXWUHKLSA-N 2 1 362.439 4.319 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447798 1113259437 /nfs/dbraw/zinc/25/94/37/1113259437.db2.gz MVQGCRGVAPIARH-NVXWUHKLSA-N 2 1 362.439 4.319 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447801 1113259517 /nfs/dbraw/zinc/25/95/17/1113259517.db2.gz MVQGCRGVAPIARH-RDJZCZTQSA-N 2 1 362.439 4.319 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447801 1113259520 /nfs/dbraw/zinc/25/95/20/1113259520.db2.gz MVQGCRGVAPIARH-RDJZCZTQSA-N 2 1 362.439 4.319 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456635 1113260949 /nfs/dbraw/zinc/26/09/49/1113260949.db2.gz IFFUYPRODZXAIA-PKOBYXMFSA-N 2 1 356.485 4.050 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456635 1113260952 /nfs/dbraw/zinc/26/09/52/1113260952.db2.gz IFFUYPRODZXAIA-PKOBYXMFSA-N 2 1 356.485 4.050 20 0 FIADMP COCC[N@@H+](C)CC[C@@H](N[C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453640 1113264185 /nfs/dbraw/zinc/26/41/85/1113264185.db2.gz CGCAISJRRAVAOE-DHIUTWEWSA-N 2 1 352.522 4.282 20 0 FIADMP COCCN(C)CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453640 1113264187 /nfs/dbraw/zinc/26/41/87/1113264187.db2.gz CGCAISJRRAVAOE-DHIUTWEWSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453640 1113264188 /nfs/dbraw/zinc/26/41/88/1113264188.db2.gz CGCAISJRRAVAOE-DHIUTWEWSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453640 1113264190 /nfs/dbraw/zinc/26/41/90/1113264190.db2.gz CGCAISJRRAVAOE-DHIUTWEWSA-N 2 1 352.522 4.282 20 0 FIADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000482567433 1113299535 /nfs/dbraw/zinc/29/95/35/1113299535.db2.gz VLZVATGOFQEIGJ-HXUWFJFHSA-N 2 1 367.537 4.157 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000482652747 1113323577 /nfs/dbraw/zinc/32/35/77/1113323577.db2.gz ULDRTRJZDOPMLC-DYESRHJHSA-N 2 1 356.485 4.225 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482866611 1113381518 /nfs/dbraw/zinc/38/15/18/1113381518.db2.gz MDSXKEQSFHUWHL-LPHOPBHVSA-N 2 1 358.551 4.105 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(OCCCc2ccccc2)c1 ZINC000482906910 1113396723 /nfs/dbraw/zinc/39/67/23/1113396723.db2.gz WPMKRSDLBDXZNQ-RDPSFJRHSA-N 2 1 366.549 4.171 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000483137038 1113446004 /nfs/dbraw/zinc/44/60/04/1113446004.db2.gz SZXDMYGEAAPVQU-LNLFQRSKSA-N 2 1 364.599 4.415 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000483128737 1113449420 /nfs/dbraw/zinc/44/94/20/1113449420.db2.gz QGUJKLAOTVHGTK-KIFXHHALSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000483128737 1113449422 /nfs/dbraw/zinc/44/94/22/1113449422.db2.gz QGUJKLAOTVHGTK-KIFXHHALSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@@H](C)O1 ZINC000483298003 1113482917 /nfs/dbraw/zinc/48/29/17/1113482917.db2.gz QICFRNJVVAVUGI-HUUCEWRRSA-N 2 1 356.963 4.113 20 0 FIADMP C[C@H]1CSCC[NH+](Cc2ccccc2C[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000488157974 1113864935 /nfs/dbraw/zinc/86/49/35/1113864935.db2.gz FVRNLBKSCUONJU-QZTJIDSGSA-N 2 1 364.624 4.056 20 0 FIADMP C[C@H]1CSCC[N@@H+](Cc2cccc(C[NH+]3CCSC[C@@H](C)C3)c2)C1 ZINC000488198904 1113876370 /nfs/dbraw/zinc/87/63/70/1113876370.db2.gz KPOSVDUOONUWSL-HDICACEKSA-N 2 1 364.624 4.056 20 0 FIADMP C[C@H]1CSCC[NH+](Cc2cccc(C[N@@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000488198904 1113876372 /nfs/dbraw/zinc/87/63/72/1113876372.db2.gz KPOSVDUOONUWSL-HDICACEKSA-N 2 1 364.624 4.056 20 0 FIADMP C[C@H]1CSCC[NH+](Cc2cccc(C[N@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000488198904 1113876373 /nfs/dbraw/zinc/87/63/73/1113876373.db2.gz KPOSVDUOONUWSL-HDICACEKSA-N 2 1 364.624 4.056 20 0 FIADMP Clc1cccc(Cl)c1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488450742 1113934430 /nfs/dbraw/zinc/93/44/30/1113934430.db2.gz NMRJJDGNZNMHKI-UHFFFAOYSA-N 2 1 357.325 4.180 20 0 FIADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489659456 1114151583 /nfs/dbraw/zinc/15/15/83/1114151583.db2.gz ORPDBKVLOWKYCJ-QGZVFWFLSA-N 2 1 370.541 4.272 20 0 FIADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489659456 1114151585 /nfs/dbraw/zinc/15/15/85/1114151585.db2.gz ORPDBKVLOWKYCJ-QGZVFWFLSA-N 2 1 370.541 4.272 20 0 FIADMP Cc1ccc(C)c([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc2)c1 ZINC000491010662 1114359658 /nfs/dbraw/zinc/35/96/58/1114359658.db2.gz UEHHGVTZTOMRLM-XMMPIXPASA-N 2 1 365.565 4.010 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001212145161 1114421445 /nfs/dbraw/zinc/42/14/45/1114421445.db2.gz MKOMZPQGVGLWFQ-ZDUSSCGKSA-N 2 1 374.382 4.063 20 0 FIADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000571006379 1114427716 /nfs/dbraw/zinc/42/77/16/1114427716.db2.gz ROBYWWQJAMIWCM-BWDFOLQRSA-N 2 1 356.460 4.323 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001212145631 1114434122 /nfs/dbraw/zinc/43/41/22/1114434122.db2.gz ZPDMTWNNYJZHCS-INIZCTEOSA-N 2 1 373.888 4.106 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686301 1114598910 /nfs/dbraw/zinc/59/89/10/1114598910.db2.gz COIXBOWPOLILHN-NHCUHLMSSA-N 2 1 360.929 4.120 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686301 1114598915 /nfs/dbraw/zinc/59/89/15/1114598915.db2.gz COIXBOWPOLILHN-NHCUHLMSSA-N 2 1 360.929 4.120 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000572157441 1114607207 /nfs/dbraw/zinc/60/72/07/1114607207.db2.gz WGXPLXGTBZVSEH-LJQANCHMSA-N 2 1 354.469 4.121 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000572157441 1114607212 /nfs/dbraw/zinc/60/72/12/1114607212.db2.gz WGXPLXGTBZVSEH-LJQANCHMSA-N 2 1 354.469 4.121 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000572370809 1114638396 /nfs/dbraw/zinc/63/83/96/1114638396.db2.gz APHQHDBWHPSVPP-RPWUZVMVSA-N 3 1 363.549 4.208 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000572370809 1114638398 /nfs/dbraw/zinc/63/83/98/1114638398.db2.gz APHQHDBWHPSVPP-RPWUZVMVSA-N 3 1 363.549 4.208 20 0 FIADMP CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999393 1114872775 /nfs/dbraw/zinc/87/27/75/1114872775.db2.gz FIXAQOQJWGYBEB-UHFFFAOYSA-N 2 1 373.928 4.252 20 0 FIADMP COc1cccc(-c2nc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cs2)c1 ZINC000590786950 1114974157 /nfs/dbraw/zinc/97/41/57/1114974157.db2.gz ZREUBHYNWWANBL-UHFFFAOYSA-N 2 1 373.566 4.371 20 0 FIADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786160 1114974608 /nfs/dbraw/zinc/97/46/08/1114974608.db2.gz DMKCSAPNKDCLNN-SFHVURJKSA-N 2 1 373.585 4.191 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cncc(Br)c1 ZINC000573021626 1115000612 /nfs/dbraw/zinc/00/06/12/1115000612.db2.gz GGHNQVSOXWHSTI-AWEZNQCLSA-N 2 1 366.347 4.292 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cncc(Br)c1 ZINC000573863330 1115192415 /nfs/dbraw/zinc/19/24/15/1115192415.db2.gz OLEKCDCUCDVEPO-KKUMJFAQSA-N 2 1 366.347 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cncc(Br)c1 ZINC000573863330 1115192416 /nfs/dbraw/zinc/19/24/16/1115192416.db2.gz OLEKCDCUCDVEPO-KKUMJFAQSA-N 2 1 366.347 4.148 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168402761 1115341212 /nfs/dbraw/zinc/34/12/12/1115341212.db2.gz GTPQLMDLBXBKMO-ZQMYSKGWSA-N 2 1 352.497 4.326 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001168402761 1115341214 /nfs/dbraw/zinc/34/12/14/1115341214.db2.gz GTPQLMDLBXBKMO-ZQMYSKGWSA-N 2 1 352.497 4.326 20 0 FIADMP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000574395584 1115359702 /nfs/dbraw/zinc/35/97/02/1115359702.db2.gz CGXZRMMUEPSFGC-UTKZUKDTSA-N 2 1 351.494 4.008 20 0 FIADMP c1cc(-c2nc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cs2)co1 ZINC000594721893 1115478115 /nfs/dbraw/zinc/47/81/15/1115478115.db2.gz OPZRTIKWFVKJRN-UHFFFAOYSA-N 2 1 359.539 4.491 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000595025273 1115505189 /nfs/dbraw/zinc/50/51/89/1115505189.db2.gz KSDDXENBEWOVEU-FRQCXROJSA-N 2 1 366.571 4.089 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000595025273 1115505191 /nfs/dbraw/zinc/50/51/91/1115505191.db2.gz KSDDXENBEWOVEU-FRQCXROJSA-N 2 1 366.571 4.089 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000574916269 1115514303 /nfs/dbraw/zinc/51/43/03/1115514303.db2.gz IGDLZGFKQRXLQV-HXUWFJFHSA-N 2 1 368.496 4.164 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000574916269 1115514307 /nfs/dbraw/zinc/51/43/07/1115514307.db2.gz IGDLZGFKQRXLQV-HXUWFJFHSA-N 2 1 368.496 4.164 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)c1 ZINC000606469580 1115947978 /nfs/dbraw/zinc/94/79/78/1115947978.db2.gz ILPNIWPCBWUBQG-UHFFFAOYSA-N 2 1 356.901 4.118 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168422688 1116004305 /nfs/dbraw/zinc/00/43/05/1116004305.db2.gz ZUWWLVOCIKQKEL-NLSFWIRASA-N 2 1 352.497 4.183 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168422688 1116004310 /nfs/dbraw/zinc/00/43/10/1116004310.db2.gz ZUWWLVOCIKQKEL-NLSFWIRASA-N 2 1 352.497 4.183 20 0 FIADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1 ZINC000608061467 1116079831 /nfs/dbraw/zinc/07/98/31/1116079831.db2.gz DZYBTZVTNFSIIU-FUHWJXTLSA-N 2 1 370.493 4.068 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000608061238 1116079890 /nfs/dbraw/zinc/07/98/90/1116079890.db2.gz IEUXEKXMUUMRBI-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000608061241 1116079951 /nfs/dbraw/zinc/07/99/51/1116079951.db2.gz JBWNQVXVKUBLBM-DENIHFKCSA-N 2 1 374.532 4.420 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534059904 1116153585 /nfs/dbraw/zinc/15/35/85/1116153585.db2.gz ZFYMRLDPQQUUCC-BZNIZROVSA-N 2 1 357.723 4.021 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000534220064 1116172314 /nfs/dbraw/zinc/17/23/14/1116172314.db2.gz XYWBLMSASHTBGQ-UHFFFAOYSA-N 2 1 363.505 4.056 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000534220064 1116172316 /nfs/dbraw/zinc/17/23/16/1116172316.db2.gz XYWBLMSASHTBGQ-UHFFFAOYSA-N 2 1 363.505 4.056 20 0 FIADMP CCOc1c(Cl)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000534346973 1116187104 /nfs/dbraw/zinc/18/71/04/1116187104.db2.gz JHMICJFRYFYCNQ-UHFFFAOYSA-N 2 1 368.949 4.300 20 0 FIADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000539652009 1116358866 /nfs/dbraw/zinc/35/88/66/1116358866.db2.gz BSPZBVYVGFPSGM-LPHOPBHVSA-N 2 1 356.510 4.037 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539838253 1116386561 /nfs/dbraw/zinc/38/65/61/1116386561.db2.gz MWFBAKPKUZTLLJ-DOTOQJQBSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539838253 1116386563 /nfs/dbraw/zinc/38/65/63/1116386563.db2.gz MWFBAKPKUZTLLJ-DOTOQJQBSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000539838253 1116386564 /nfs/dbraw/zinc/38/65/64/1116386564.db2.gz MWFBAKPKUZTLLJ-DOTOQJQBSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000539838253 1116386566 /nfs/dbraw/zinc/38/65/66/1116386566.db2.gz MWFBAKPKUZTLLJ-DOTOQJQBSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539838256 1116386644 /nfs/dbraw/zinc/38/66/44/1116386644.db2.gz MWFBAKPKUZTLLJ-WBVHZDCISA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539838256 1116386646 /nfs/dbraw/zinc/38/66/46/1116386646.db2.gz MWFBAKPKUZTLLJ-WBVHZDCISA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000539838256 1116386647 /nfs/dbraw/zinc/38/66/47/1116386647.db2.gz MWFBAKPKUZTLLJ-WBVHZDCISA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000539838256 1116386649 /nfs/dbraw/zinc/38/66/49/1116386649.db2.gz MWFBAKPKUZTLLJ-WBVHZDCISA-N 2 1 368.949 4.442 20 0 FIADMP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862319 1116392134 /nfs/dbraw/zinc/39/21/34/1116392134.db2.gz MJHZJFPPCYDDKU-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862319 1116392135 /nfs/dbraw/zinc/39/21/35/1116392135.db2.gz MJHZJFPPCYDDKU-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)cc1OC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539862319 1116392136 /nfs/dbraw/zinc/39/21/36/1116392136.db2.gz MJHZJFPPCYDDKU-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)cc1OC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539862319 1116392137 /nfs/dbraw/zinc/39/21/37/1116392137.db2.gz MJHZJFPPCYDDKU-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000539895358 1117739043 /nfs/dbraw/zinc/73/90/43/1117739043.db2.gz CSQNUOJRLZVMPQ-NFBKMPQASA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000539895358 1117739047 /nfs/dbraw/zinc/73/90/47/1117739047.db2.gz CSQNUOJRLZVMPQ-NFBKMPQASA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000539895358 1117739049 /nfs/dbraw/zinc/73/90/49/1117739049.db2.gz CSQNUOJRLZVMPQ-NFBKMPQASA-N 2 1 350.506 4.297 20 0 FIADMP Cc1cc(C)cc(-c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2)c1 ZINC000462746522 1117749907 /nfs/dbraw/zinc/74/99/07/1117749907.db2.gz URTCMVVQEBYLHK-DEOSSOPVSA-N 2 1 366.549 4.297 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000462820290 1117796030 /nfs/dbraw/zinc/79/60/30/1117796030.db2.gz VCATYQCAXUEJJG-GBBGEASQSA-N 2 1 363.343 4.158 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077611 1117959885 /nfs/dbraw/zinc/95/98/85/1117959885.db2.gz KCLHMNLQZFDYND-QPPBQGQZSA-N 2 1 366.549 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCOCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077611 1117959886 /nfs/dbraw/zinc/95/98/86/1117959886.db2.gz KCLHMNLQZFDYND-QPPBQGQZSA-N 2 1 366.549 4.279 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000463090662 1117962385 /nfs/dbraw/zinc/96/23/85/1117962385.db2.gz SSDMLFZBIBJDQL-NRFANRHFSA-N 2 1 368.569 4.465 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262174 1117962655 /nfs/dbraw/zinc/96/26/55/1117962655.db2.gz GMXYUXYROXNBLD-KDOFPFPSSA-N 2 1 351.332 4.222 20 0 FIADMP Cc1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)ccc1F ZINC000540263815 1117963101 /nfs/dbraw/zinc/96/31/01/1117963101.db2.gz ZXGRIBUUDRIRQX-QHCPKHFHSA-N 2 1 368.496 4.207 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463106576 1117967430 /nfs/dbraw/zinc/96/74/30/1117967430.db2.gz AOTININTOOQWIE-UYAOXDASSA-N 2 1 357.567 4.417 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463106576 1117967432 /nfs/dbraw/zinc/96/74/32/1117967432.db2.gz AOTININTOOQWIE-UYAOXDASSA-N 2 1 357.567 4.417 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000463109393 1117967802 /nfs/dbraw/zinc/96/78/02/1117967802.db2.gz QWNKVUACQVMJGM-NRFANRHFSA-N 2 1 368.569 4.323 20 0 FIADMP COCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000463121168 1117979361 /nfs/dbraw/zinc/97/93/61/1117979361.db2.gz ZZZFANTXNYQRHP-LAUBAEHRSA-N 2 1 356.485 4.115 20 0 FIADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000463121168 1117979365 /nfs/dbraw/zinc/97/93/65/1117979365.db2.gz ZZZFANTXNYQRHP-LAUBAEHRSA-N 2 1 356.485 4.115 20 0 FIADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CC2)cc1 ZINC000463145049 1117982424 /nfs/dbraw/zinc/98/24/24/1117982424.db2.gz RGIUVIPTIVOIDT-DEOSSOPVSA-N 2 1 364.533 4.443 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463139614 1117986569 /nfs/dbraw/zinc/98/65/69/1117986569.db2.gz SOQIYEACZBZENG-NZQKXSOJSA-N 2 1 374.532 4.058 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463139614 1117986570 /nfs/dbraw/zinc/98/65/70/1117986570.db2.gz SOQIYEACZBZENG-NZQKXSOJSA-N 2 1 374.532 4.058 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463140161 1117987471 /nfs/dbraw/zinc/98/74/71/1117987471.db2.gz VCBLJVHBLHXWFM-GHTZIAJQSA-N 2 1 353.510 4.012 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463140161 1117987472 /nfs/dbraw/zinc/98/74/72/1117987472.db2.gz VCBLJVHBLHXWFM-GHTZIAJQSA-N 2 1 353.510 4.012 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463141046 1117988033 /nfs/dbraw/zinc/98/80/33/1117988033.db2.gz MRISPIIEAPBEFH-UHFFFAOYSA-N 2 1 370.512 4.410 20 0 FIADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463188740 1118006778 /nfs/dbraw/zinc/00/67/78/1118006778.db2.gz HUEJLTXBXVFHHX-LEWJYISDSA-N 2 1 364.574 4.487 20 0 FIADMP Cc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463189229 1118018113 /nfs/dbraw/zinc/01/81/13/1118018113.db2.gz KICDRYSMHDATPM-HXUWFJFHSA-N 2 1 352.522 4.059 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463205740 1118020343 /nfs/dbraw/zinc/02/03/43/1118020343.db2.gz NKAXCFLAUQPTJK-DENIHFKCSA-N 2 1 352.522 4.189 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463205740 1118020345 /nfs/dbraw/zinc/02/03/45/1118020345.db2.gz NKAXCFLAUQPTJK-DENIHFKCSA-N 2 1 352.522 4.189 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]3Cc3ccccc3)CC2)cc1 ZINC000463206141 1118020421 /nfs/dbraw/zinc/02/04/21/1118020421.db2.gz OVSBQVWXMOYCRW-NFBKMPQASA-N 2 1 352.497 4.053 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCC4CCOCC4)[C@@H]3C2)cc1 ZINC000463238335 1118046573 /nfs/dbraw/zinc/04/65/73/1118046573.db2.gz UJWRSKTVNQJGSC-YTFSRNRJSA-N 2 1 356.554 4.084 20 0 FIADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463270771 1118072813 /nfs/dbraw/zinc/07/28/13/1118072813.db2.gz HNYPVRWKGGPWSW-SFHVURJKSA-N 2 1 360.439 4.399 20 0 FIADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000540607366 1118147302 /nfs/dbraw/zinc/14/73/02/1118147302.db2.gz NPOKPLLUKIKGLJ-ORYQWCPZSA-N 2 1 370.537 4.332 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618865 1118155929 /nfs/dbraw/zinc/15/59/29/1118155929.db2.gz ZXCIHBVKDNVOFE-SZVBFZGTSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618865 1118155934 /nfs/dbraw/zinc/15/59/34/1118155934.db2.gz ZXCIHBVKDNVOFE-SZVBFZGTSA-N 2 1 370.459 4.105 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C[C@@H]1C ZINC000463744325 1118311663 /nfs/dbraw/zinc/31/16/63/1118311663.db2.gz KJHDHKQYVPUFSI-SVFBPWRDSA-N 2 1 374.569 4.091 20 0 FIADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cccc2ccccc21 ZINC000507714041 1118328387 /nfs/dbraw/zinc/32/83/87/1118328387.db2.gz NRCKFLFZFJCFBV-UHFFFAOYSA-N 2 1 365.521 4.119 20 0 FIADMP CCC[N@H+]([C@@H](C)Cc1ccsc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000541235564 1118437271 /nfs/dbraw/zinc/43/72/71/1118437271.db2.gz QDKZCVUDLOIFIO-KRWDZBQOSA-N 2 1 372.582 4.467 20 0 FIADMP CCC[N@@H+]([C@@H](C)Cc1ccsc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000541235564 1118437274 /nfs/dbraw/zinc/43/72/74/1118437274.db2.gz QDKZCVUDLOIFIO-KRWDZBQOSA-N 2 1 372.582 4.467 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541350263 1118483147 /nfs/dbraw/zinc/48/31/47/1118483147.db2.gz VVYFZWFVUNLSEJ-UYAOXDASSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541350263 1118483151 /nfs/dbraw/zinc/48/31/51/1118483151.db2.gz VVYFZWFVUNLSEJ-UYAOXDASSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350263 1118483152 /nfs/dbraw/zinc/48/31/52/1118483152.db2.gz VVYFZWFVUNLSEJ-UYAOXDASSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350263 1118483156 /nfs/dbraw/zinc/48/31/56/1118483156.db2.gz VVYFZWFVUNLSEJ-UYAOXDASSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599918 1118575171 /nfs/dbraw/zinc/57/51/71/1118575171.db2.gz QGTHYHJAJMJZIR-ROUUACIJSA-N 2 1 371.569 4.165 20 0 FIADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599918 1118575174 /nfs/dbraw/zinc/57/51/74/1118575174.db2.gz QGTHYHJAJMJZIR-ROUUACIJSA-N 2 1 371.569 4.165 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845143 1118718986 /nfs/dbraw/zinc/71/89/86/1118718986.db2.gz DCSAGGCVRVFABG-JOCHJYFZSA-N 2 1 352.522 4.300 20 0 FIADMP C[NH+](CCCCOc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845143 1118718989 /nfs/dbraw/zinc/71/89/89/1118718989.db2.gz DCSAGGCVRVFABG-JOCHJYFZSA-N 2 1 352.522 4.300 20 0 FIADMP C[NH+](CCCCOc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845143 1118718990 /nfs/dbraw/zinc/71/89/90/1118718990.db2.gz DCSAGGCVRVFABG-JOCHJYFZSA-N 2 1 352.522 4.300 20 0 FIADMP CCC1(C[NH2+]C2CCN(C(C)C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000542146262 1118802872 /nfs/dbraw/zinc/80/28/72/1118802872.db2.gz NXUAAHRNRFNXJF-UHFFFAOYSA-N 2 1 357.586 4.141 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000151796250 1118979103 /nfs/dbraw/zinc/97/91/03/1118979103.db2.gz ADDTVCRLZUGAEZ-UHFFFAOYSA-N 2 1 365.521 4.201 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000151796250 1118979104 /nfs/dbraw/zinc/97/91/04/1118979104.db2.gz ADDTVCRLZUGAEZ-UHFFFAOYSA-N 2 1 365.521 4.201 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000151796250 1118979107 /nfs/dbraw/zinc/97/91/07/1118979107.db2.gz ADDTVCRLZUGAEZ-UHFFFAOYSA-N 2 1 365.521 4.201 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195739 1119043889 /nfs/dbraw/zinc/04/38/89/1119043889.db2.gz XBTMHHZLEYEKBP-ZRAXVTTISA-N 2 1 370.562 4.393 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195739 1119043893 /nfs/dbraw/zinc/04/38/93/1119043893.db2.gz XBTMHHZLEYEKBP-ZRAXVTTISA-N 2 1 370.562 4.393 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492533596 1119120013 /nfs/dbraw/zinc/12/00/13/1119120013.db2.gz AZPYYMCEUHQVQG-UYAOXDASSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492533596 1119120016 /nfs/dbraw/zinc/12/00/16/1119120016.db2.gz AZPYYMCEUHQVQG-UYAOXDASSA-N 2 1 367.537 4.259 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(OC)c3)CC2)cs1 ZINC000177324478 1119324357 /nfs/dbraw/zinc/32/43/57/1119324357.db2.gz PYHODBRGWINDGH-MRXNPFEDSA-N 2 1 373.566 4.277 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000177486673 1119333070 /nfs/dbraw/zinc/33/30/70/1119333070.db2.gz KSRGCYMHPDDLSU-OAHLLOKOSA-N 2 1 358.448 4.245 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311066294 1119356361 /nfs/dbraw/zinc/35/63/61/1119356361.db2.gz JKVJXSWGIMAYNZ-AEFFLSMTSA-N 2 1 357.567 4.441 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311066294 1119356364 /nfs/dbraw/zinc/35/63/64/1119356364.db2.gz JKVJXSWGIMAYNZ-AEFFLSMTSA-N 2 1 357.567 4.441 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)[C@H](C)C1 ZINC000178333273 1119384854 /nfs/dbraw/zinc/38/48/54/1119384854.db2.gz DZKQEUOBNIWHPP-HBFSDRIKSA-N 2 1 355.526 4.022 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)[C@H](C)C1 ZINC000178333273 1119384858 /nfs/dbraw/zinc/38/48/58/1119384858.db2.gz DZKQEUOBNIWHPP-HBFSDRIKSA-N 2 1 355.526 4.022 20 0 FIADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000178375973 1119386853 /nfs/dbraw/zinc/38/68/53/1119386853.db2.gz PMPLKHMQEJVQJX-QFIPXVFZSA-N 2 1 350.506 4.031 20 0 FIADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000311803562 1119389690 /nfs/dbraw/zinc/38/96/90/1119389690.db2.gz NXBDADUTKBHUEY-KRWDZBQOSA-N 2 1 366.402 4.456 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311854339 1119391821 /nfs/dbraw/zinc/39/18/21/1119391821.db2.gz TVASLKLSYJPDBQ-KNQAVFIVSA-N 2 1 352.522 4.474 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311854339 1119391823 /nfs/dbraw/zinc/39/18/23/1119391823.db2.gz TVASLKLSYJPDBQ-KNQAVFIVSA-N 2 1 352.522 4.474 20 0 FIADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000542466869 1119458674 /nfs/dbraw/zinc/45/86/74/1119458674.db2.gz LXPXKIPNJKWBHI-KRWDZBQOSA-N 2 1 364.493 4.037 20 0 FIADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896956 1119507915 /nfs/dbraw/zinc/50/79/15/1119507915.db2.gz KLQWYWAEUYOEKC-WMZHIEFXSA-N 2 1 352.522 4.325 20 0 FIADMP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186130738 1119707815 /nfs/dbraw/zinc/70/78/15/1119707815.db2.gz DNUIPVCOYMQCGZ-BBWFWOEESA-N 2 1 374.550 4.217 20 0 FIADMP Clc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000494339196 1119827954 /nfs/dbraw/zinc/82/79/54/1119827954.db2.gz NJHFENKFTZXZCQ-UHFFFAOYSA-N 2 1 357.723 4.209 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191295252 1119969736 /nfs/dbraw/zinc/96/97/36/1119969736.db2.gz FGVRRZGFCAASRT-DENIHFKCSA-N 2 1 366.553 4.069 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000191295252 1119969740 /nfs/dbraw/zinc/96/97/40/1119969740.db2.gz FGVRRZGFCAASRT-DENIHFKCSA-N 2 1 366.553 4.069 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000192930079 1120090247 /nfs/dbraw/zinc/09/02/47/1120090247.db2.gz OEZJKPQCHABYOO-GOSISDBHSA-N 2 1 350.462 4.053 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000192930079 1120090253 /nfs/dbraw/zinc/09/02/53/1120090253.db2.gz OEZJKPQCHABYOO-GOSISDBHSA-N 2 1 350.462 4.053 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000192935433 1120091645 /nfs/dbraw/zinc/09/16/45/1120091645.db2.gz JHHSCCURISSMBP-JCTONOIOSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000192935433 1120091653 /nfs/dbraw/zinc/09/16/53/1120091653.db2.gz JHHSCCURISSMBP-JCTONOIOSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000192935433 1120091658 /nfs/dbraw/zinc/09/16/58/1120091658.db2.gz JHHSCCURISSMBP-JCTONOIOSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)cs3)cc2)C[C@H](C)O1 ZINC000192994948 1120094064 /nfs/dbraw/zinc/09/40/64/1120094064.db2.gz FTMZYIMTJUXDLE-GASCZTMLSA-N 2 1 364.942 4.301 20 0 FIADMP COc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193311638 1120127902 /nfs/dbraw/zinc/12/79/02/1120127902.db2.gz NNRSJSSTZJWRMR-SEJPIABJSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193311638 1120127909 /nfs/dbraw/zinc/12/79/09/1120127909.db2.gz NNRSJSSTZJWRMR-SEJPIABJSA-N 2 1 354.469 4.120 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494774774 1120184697 /nfs/dbraw/zinc/18/46/97/1120184697.db2.gz LCSBGDPSHBXSFA-ZZTDLJEGSA-N 2 1 352.522 4.263 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194044542 1120233637 /nfs/dbraw/zinc/23/36/37/1120233637.db2.gz QWTUVXYWFGIVOB-HLRQEUIKSA-N 2 1 354.538 4.149 20 0 FIADMP C[N@@H+](CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882552 1120356453 /nfs/dbraw/zinc/35/64/53/1120356453.db2.gz ZVHNQTKTABTBJB-NFBKMPQASA-N 2 1 370.512 4.405 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494926304 1120382032 /nfs/dbraw/zinc/38/20/32/1120382032.db2.gz XEMCPGJZTQZQHF-MOXWOTFGSA-N 2 1 362.533 4.251 20 0 FIADMP C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533270 1120432335 /nfs/dbraw/zinc/43/23/35/1120432335.db2.gz KXLAJIIEBCQYKG-WBVHZDCISA-N 2 1 370.459 4.370 20 0 FIADMP C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495186296 1120532032 /nfs/dbraw/zinc/53/20/32/1120532032.db2.gz WORFMZLOALWTKN-FPOVZHCZSA-N 2 1 356.554 4.226 20 0 FIADMP C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495186295 1120532168 /nfs/dbraw/zinc/53/21/68/1120532168.db2.gz WORFMZLOALWTKN-CTNGQTDRSA-N 2 1 356.554 4.226 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000495434212 1120809074 /nfs/dbraw/zinc/80/90/74/1120809074.db2.gz QSBIOIUUFVFPHA-WFXMLNOXSA-N 2 1 350.506 4.278 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434211 1120809320 /nfs/dbraw/zinc/80/93/20/1120809320.db2.gz QSBIOIUUFVFPHA-WAOWUJCRSA-N 2 1 350.506 4.278 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000236830065 1120970545 /nfs/dbraw/zinc/97/05/45/1120970545.db2.gz QMSRLUGLEJWXBM-VQTJNVASSA-N 2 1 368.525 4.291 20 0 FIADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000237621717 1120980445 /nfs/dbraw/zinc/98/04/45/1120980445.db2.gz HCKLJQABAZGTPX-BGYRXZFFSA-N 2 1 352.522 4.202 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000030640119 1121066213 /nfs/dbraw/zinc/06/62/13/1121066213.db2.gz GFXUNYQYMPMLMO-UHFFFAOYSA-N 2 1 373.928 4.412 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000030640119 1121066222 /nfs/dbraw/zinc/06/62/22/1121066222.db2.gz GFXUNYQYMPMLMO-UHFFFAOYSA-N 2 1 373.928 4.412 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000398068137 1121340478 /nfs/dbraw/zinc/34/04/78/1121340478.db2.gz YIGDMANXNXNQQF-KGVIQGDOSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000398068137 1121340487 /nfs/dbraw/zinc/34/04/87/1121340487.db2.gz YIGDMANXNXNQQF-KGVIQGDOSA-N 2 1 368.521 4.265 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123391618 1121480063 /nfs/dbraw/zinc/48/00/63/1121480063.db2.gz QEGOWROTCDUETR-HZPDHXFCSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123391618 1121480067 /nfs/dbraw/zinc/48/00/67/1121480067.db2.gz QEGOWROTCDUETR-HZPDHXFCSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123391618 1121480075 /nfs/dbraw/zinc/48/00/75/1121480075.db2.gz QEGOWROTCDUETR-HZPDHXFCSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123391618 1121480081 /nfs/dbraw/zinc/48/00/81/1121480081.db2.gz QEGOWROTCDUETR-HZPDHXFCSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744587 1121648849 /nfs/dbraw/zinc/64/88/49/1121648849.db2.gz NMBVCNQCXCYIOX-SJLPKXTDSA-N 2 1 365.477 4.096 20 0 FIADMP COCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)o1 ZINC000125553791 1121791526 /nfs/dbraw/zinc/79/15/26/1121791526.db2.gz ARWHRRDEHLYNEB-HDICACEKSA-N 2 1 356.510 4.194 20 0 FIADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000125670649 1121804049 /nfs/dbraw/zinc/80/40/49/1121804049.db2.gz CWMMYORMJSRBBG-IEBWSBKVSA-N 2 1 365.443 4.217 20 0 FIADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000125670649 1121804063 /nfs/dbraw/zinc/80/40/63/1121804063.db2.gz CWMMYORMJSRBBG-IEBWSBKVSA-N 2 1 365.443 4.217 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000126640962 1121971743 /nfs/dbraw/zinc/97/17/43/1121971743.db2.gz SRGDEWDJEXRZPM-OAQYLSRUSA-N 2 1 360.542 4.114 20 0 FIADMP CC(C)O[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1(C)C ZINC000765811255 1122096220 /nfs/dbraw/zinc/09/62/20/1122096220.db2.gz OYPXDXXOUHPLRU-FCHUYYIVSA-N 2 1 373.585 4.469 20 0 FIADMP COc1ccc([C@H]2C[C@@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168616159 1122104186 /nfs/dbraw/zinc/10/41/86/1122104186.db2.gz LOCDVNJJSBKPGN-WCCBULMPSA-N 2 1 358.526 4.040 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000066960808 1122116085 /nfs/dbraw/zinc/11/60/85/1122116085.db2.gz KYMRJYXIFATXKO-LJQANCHMSA-N 2 1 359.558 4.074 20 0 FIADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000623649231 1122119307 /nfs/dbraw/zinc/11/93/07/1122119307.db2.gz PHAAZRUJEWFXIC-TZIWHRDSSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000623649231 1122119309 /nfs/dbraw/zinc/11/93/09/1122119309.db2.gz PHAAZRUJEWFXIC-TZIWHRDSSA-N 2 1 351.538 4.310 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168623446 1122178582 /nfs/dbraw/zinc/17/85/82/1122178582.db2.gz IUXGZRCWBYXNPQ-ROQCDXFCSA-N 2 1 372.553 4.430 20 0 FIADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(OC)c(OC)c1 ZINC000128134018 1122196300 /nfs/dbraw/zinc/19/63/00/1122196300.db2.gz HCDXRUHPALBSJE-IBGZPJMESA-N 2 1 369.509 4.117 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000128250205 1122210191 /nfs/dbraw/zinc/21/01/91/1122210191.db2.gz LLAVCEBQBPFOHJ-HNNXBMFYSA-N 2 1 367.884 4.059 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000497409951 1122220582 /nfs/dbraw/zinc/22/05/82/1122220582.db2.gz BWUPZKQLKROGHO-DLTYFMDKSA-N 2 1 364.533 4.264 20 0 FIADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000128631056 1122363319 /nfs/dbraw/zinc/36/33/19/1122363319.db2.gz PJMISPRYXQDLRZ-FQEVSTJZSA-N 2 1 369.553 4.184 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812465 1122415745 /nfs/dbraw/zinc/41/57/45/1122415745.db2.gz KWVFPLSUOFBSAW-UGKGYDQZSA-N 2 1 355.501 4.072 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812465 1122415748 /nfs/dbraw/zinc/41/57/48/1122415748.db2.gz KWVFPLSUOFBSAW-UGKGYDQZSA-N 2 1 355.501 4.072 20 0 FIADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000069160294 1122557810 /nfs/dbraw/zinc/55/78/10/1122557810.db2.gz ISAFDRUZOVYXID-KRWDZBQOSA-N 2 1 373.928 4.136 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000069160294 1122557813 /nfs/dbraw/zinc/55/78/13/1122557813.db2.gz ISAFDRUZOVYXID-KRWDZBQOSA-N 2 1 373.928 4.136 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556057823 1122627084 /nfs/dbraw/zinc/62/70/84/1122627084.db2.gz WSNBRMQALWYYEJ-PKOBYXMFSA-N 2 1 372.896 4.036 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556057823 1122627088 /nfs/dbraw/zinc/62/70/88/1122627088.db2.gz WSNBRMQALWYYEJ-PKOBYXMFSA-N 2 1 372.896 4.036 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@@H]1c1ccccc1 ZINC000556082992 1122644578 /nfs/dbraw/zinc/64/45/78/1122644578.db2.gz XTGIYJOZTFULAW-HUUCEWRRSA-N 2 1 369.456 4.130 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@@H]1c1ccccc1 ZINC000556082992 1122644581 /nfs/dbraw/zinc/64/45/81/1122644581.db2.gz XTGIYJOZTFULAW-HUUCEWRRSA-N 2 1 369.456 4.130 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000130063783 1122738355 /nfs/dbraw/zinc/73/83/55/1122738355.db2.gz XFRXPBDQKQSURS-OAQYLSRUSA-N 2 1 372.553 4.304 20 0 FIADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556232855 1122749836 /nfs/dbraw/zinc/74/98/36/1122749836.db2.gz LGNIDBIDOUUSCD-YPAWHYETSA-N 2 1 356.554 4.084 20 0 FIADMP CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230586 1122756945 /nfs/dbraw/zinc/75/69/45/1122756945.db2.gz OUFMFCHCHOHKOT-FGZHOGPDSA-N 2 1 370.581 4.474 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436495 1122795671 /nfs/dbraw/zinc/79/56/71/1122795671.db2.gz VQEBVLVFWZGUQG-OXQOHEQNSA-N 2 1 361.530 4.481 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436495 1122795674 /nfs/dbraw/zinc/79/56/74/1122795674.db2.gz VQEBVLVFWZGUQG-OXQOHEQNSA-N 2 1 361.530 4.481 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000556587039 1122988767 /nfs/dbraw/zinc/98/87/67/1122988767.db2.gz ZCPPCZOZOKSZML-OALUTQOASA-N 2 1 370.459 4.042 20 0 FIADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000498809948 1123024206 /nfs/dbraw/zinc/02/42/06/1123024206.db2.gz KSDCORYCLKHNJG-CNNODRBYSA-N 2 1 370.537 4.487 20 0 FIADMP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000498809951 1123024248 /nfs/dbraw/zinc/02/42/48/1123024248.db2.gz KSDCORYCLKHNJG-XQBPLPMBSA-N 2 1 370.537 4.487 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000556813906 1123111258 /nfs/dbraw/zinc/11/12/58/1123111258.db2.gz XUAJEMXRMHNSEH-UHFFFAOYSA-N 2 1 360.876 4.494 20 0 FIADMP Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556868727 1123149798 /nfs/dbraw/zinc/14/97/98/1123149798.db2.gz BMLHNFLWICWXPQ-XUVXKRRUSA-N 2 1 355.551 4.232 20 0 FIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccsc3C)CC2)c1C ZINC000556867942 1123150607 /nfs/dbraw/zinc/15/06/07/1123150607.db2.gz COOPDSDMISIIDG-UHFFFAOYSA-N 2 1 373.566 4.173 20 0 FIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccsc3C)CC2)c1C ZINC000556867942 1123150610 /nfs/dbraw/zinc/15/06/10/1123150610.db2.gz COOPDSDMISIIDG-UHFFFAOYSA-N 2 1 373.566 4.173 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C)c1 ZINC000556873014 1123156944 /nfs/dbraw/zinc/15/69/44/1123156944.db2.gz UNJHWOBHRJLSMA-AUSIDOKSSA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C)c1 ZINC000556873014 1123156948 /nfs/dbraw/zinc/15/69/48/1123156948.db2.gz UNJHWOBHRJLSMA-AUSIDOKSSA-N 2 1 352.522 4.457 20 0 FIADMP Cn1cnc2cc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)ccc21 ZINC000556885016 1123162193 /nfs/dbraw/zinc/16/21/93/1123162193.db2.gz STLVEFYSYHHZHD-UHFFFAOYSA-N 2 1 374.532 4.061 20 0 FIADMP Cc1sc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)nc1-c1ccccc1 ZINC000556887164 1123164916 /nfs/dbraw/zinc/16/49/16/1123164916.db2.gz RXDDFFCFEUTNPK-GUDVDZBRSA-N 2 1 355.551 4.123 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000499067260 1123184342 /nfs/dbraw/zinc/18/43/42/1123184342.db2.gz BBOLVZOHJMEAMM-HNNXBMFYSA-N 2 1 366.328 4.123 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000499067260 1123184345 /nfs/dbraw/zinc/18/43/45/1123184345.db2.gz BBOLVZOHJMEAMM-HNNXBMFYSA-N 2 1 366.328 4.123 20 0 FIADMP COc1cccc(C2([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000556912145 1123204105 /nfs/dbraw/zinc/20/41/05/1123204105.db2.gz QVZYXTVQDPAKMQ-ICSRJNTNSA-N 2 1 350.506 4.185 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000556909900 1123209584 /nfs/dbraw/zinc/20/95/84/1123209584.db2.gz QAUBRHSBUSBPMJ-KRWDZBQOSA-N 2 1 352.869 4.219 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499138846 1123281024 /nfs/dbraw/zinc/28/10/24/1123281024.db2.gz JOWDFWCAYNVKNS-XGAJZPNHSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138846 1123281028 /nfs/dbraw/zinc/28/10/28/1123281028.db2.gz JOWDFWCAYNVKNS-XGAJZPNHSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138846 1123281034 /nfs/dbraw/zinc/28/10/34/1123281034.db2.gz JOWDFWCAYNVKNS-XGAJZPNHSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138846 1123281039 /nfs/dbraw/zinc/28/10/39/1123281039.db2.gz JOWDFWCAYNVKNS-XGAJZPNHSA-N 2 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138846 1123281044 /nfs/dbraw/zinc/28/10/44/1123281044.db2.gz JOWDFWCAYNVKNS-XGAJZPNHSA-N 2 1 369.597 4.426 20 0 FIADMP COc1cc(C)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499196956 1123316562 /nfs/dbraw/zinc/31/65/62/1123316562.db2.gz SUZWYTNSYUEREU-DKUWSORSSA-N 2 1 350.506 4.289 20 0 FIADMP Cc1cc2cc([C@@H](C)[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)oc2cc1C ZINC000132820110 1123365183 /nfs/dbraw/zinc/36/51/83/1123365183.db2.gz HGTBRPPSYVWPDA-MSOLQXFVSA-N 2 1 356.510 4.201 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133060482 1123407392 /nfs/dbraw/zinc/40/73/92/1123407392.db2.gz JMRCCCWNSOZUAN-MRXNPFEDSA-N 2 1 352.404 4.053 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CCC2 ZINC000133155517 1123436601 /nfs/dbraw/zinc/43/66/01/1123436601.db2.gz YKCSBYQPBAFIRN-LJQANCHMSA-N 2 1 367.459 4.474 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000515678203 1123443359 /nfs/dbraw/zinc/44/33/59/1123443359.db2.gz ROSWRZYHGJSYSX-XZOQPEGZSA-N 2 1 352.522 4.409 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000515678203 1123443362 /nfs/dbraw/zinc/44/33/62/1123443362.db2.gz ROSWRZYHGJSYSX-XZOQPEGZSA-N 2 1 352.522 4.409 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCCSc2ccccc2Br)CC[N@H+]1C ZINC000133419951 1123486078 /nfs/dbraw/zinc/48/60/78/1123486078.db2.gz VQMSTUMUBOUYCH-CABCVRRESA-N 2 1 371.388 4.394 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000237187231 1123602381 /nfs/dbraw/zinc/60/23/81/1123602381.db2.gz XZOCEAYNDRXMJZ-NHCUHLMSSA-N 2 1 366.553 4.188 20 0 FIADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3C(C)C)C2)CC1 ZINC000609338380 1123674722 /nfs/dbraw/zinc/67/47/22/1123674722.db2.gz ARRUUXORIRORMF-JOCHJYFZSA-N 2 1 357.586 4.145 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983801 1123826365 /nfs/dbraw/zinc/82/63/65/1123826365.db2.gz CZEBZGWTIBVGIZ-GREBRCKQSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983801 1123826367 /nfs/dbraw/zinc/82/63/67/1123826367.db2.gz CZEBZGWTIBVGIZ-GREBRCKQSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245565019 1124122136 /nfs/dbraw/zinc/12/21/36/1124122136.db2.gz ZKDBSLCCIPEGMP-FGTMMUONSA-N 2 1 371.525 4.100 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000245642362 1124159567 /nfs/dbraw/zinc/15/95/67/1124159567.db2.gz BAMXELQTADKEFA-OWZKRDHZSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000245642362 1124159571 /nfs/dbraw/zinc/15/95/71/1124159571.db2.gz BAMXELQTADKEFA-OWZKRDHZSA-N 2 1 354.469 4.120 20 0 FIADMP c1cn(-c2ccccc2C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245660193 1124176478 /nfs/dbraw/zinc/17/64/78/1124176478.db2.gz FNGHYUBVYGYYLZ-NUNAXRQHSA-N 2 1 372.516 4.158 20 0 FIADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000245676164 1124186791 /nfs/dbraw/zinc/18/67/91/1124186791.db2.gz ICOQGBIDZGCHQU-OTNPHJDUSA-N 2 1 364.489 4.262 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245682672 1124194067 /nfs/dbraw/zinc/19/40/67/1124194067.db2.gz JBTFSLNIQNLGRY-DKUWSORSSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000245738544 1124231994 /nfs/dbraw/zinc/23/19/94/1124231994.db2.gz RCPYBGDKNOFTEY-RCDUEUHRSA-N 2 1 362.517 4.336 20 0 FIADMP CCCn1nc(C)c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764052 1124244749 /nfs/dbraw/zinc/24/47/49/1124244749.db2.gz QHPBZPLPDLXQFF-AVRDEDQJSA-N 2 1 368.569 4.395 20 0 FIADMP CCCn1nc(C)c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000245764052 1124244757 /nfs/dbraw/zinc/24/47/57/1124244757.db2.gz QHPBZPLPDLXQFF-AVRDEDQJSA-N 2 1 368.569 4.395 20 0 FIADMP COCc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245775682 1124247608 /nfs/dbraw/zinc/24/76/08/1124247608.db2.gz XZSWVHSXONDNTA-NUNAXRQHSA-N 2 1 350.506 4.118 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCc2nc4ccccc4[nH]2)C3)cc1 ZINC000245776914 1124247887 /nfs/dbraw/zinc/24/78/87/1124247887.db2.gz YFALWBOBFUUFKC-MZADTFQBSA-N 2 1 374.532 4.281 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000245925771 1124286233 /nfs/dbraw/zinc/28/62/33/1124286233.db2.gz SLAXXOGLLONPIA-LWILDLIXSA-N 2 1 351.494 4.179 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1OC(F)F ZINC000246313881 1124442306 /nfs/dbraw/zinc/44/23/06/1124442306.db2.gz DVJCTGBNIQSERQ-CVEARBPZSA-N 2 1 370.484 4.315 20 0 FIADMP CSC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542848863 1124450377 /nfs/dbraw/zinc/45/03/77/1124450377.db2.gz HWWRBNAFAIEQAQ-QGZVFWFLSA-N 2 1 358.473 4.326 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)oc2cc1C ZINC000246500336 1124517117 /nfs/dbraw/zinc/51/71/17/1124517117.db2.gz SOADPUBJPVQBDF-DZFGPLHGSA-N 2 1 370.537 4.468 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864252 1124569105 /nfs/dbraw/zinc/56/91/05/1124569105.db2.gz WCHZXPBGUBKKAC-PXNSSMCTSA-N 2 1 370.928 4.022 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864252 1124569108 /nfs/dbraw/zinc/56/91/08/1124569108.db2.gz WCHZXPBGUBKKAC-PXNSSMCTSA-N 2 1 370.928 4.022 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864252 1124569112 /nfs/dbraw/zinc/56/91/12/1124569112.db2.gz WCHZXPBGUBKKAC-PXNSSMCTSA-N 2 1 370.928 4.022 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864252 1124569119 /nfs/dbraw/zinc/56/91/19/1124569119.db2.gz WCHZXPBGUBKKAC-PXNSSMCTSA-N 2 1 370.928 4.022 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000247010087 1124580716 /nfs/dbraw/zinc/58/07/16/1124580716.db2.gz LCXFYMDEHNJAKJ-PKOBYXMFSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000247010087 1124580720 /nfs/dbraw/zinc/58/07/20/1124580720.db2.gz LCXFYMDEHNJAKJ-PKOBYXMFSA-N 2 1 369.509 4.093 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000247109986 1124591133 /nfs/dbraw/zinc/59/11/33/1124591133.db2.gz QLCPMLXACPDFMO-DLBZAZTESA-N 2 1 364.530 4.018 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000247893109 1124730392 /nfs/dbraw/zinc/73/03/92/1124730392.db2.gz FZIBEQSXNSHIEA-BQFCYCMXSA-N 2 1 370.484 4.076 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000247893109 1124730394 /nfs/dbraw/zinc/73/03/94/1124730394.db2.gz FZIBEQSXNSHIEA-BQFCYCMXSA-N 2 1 370.484 4.076 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000248445931 1124769494 /nfs/dbraw/zinc/76/94/94/1124769494.db2.gz MSGKAGJRRVNJDQ-UTKZUKDTSA-N 2 1 364.489 4.240 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000248457625 1124773297 /nfs/dbraw/zinc/77/32/97/1124773297.db2.gz TVMGNQQGTZXBND-RBBKRZOGSA-N 2 1 370.924 4.074 20 0 FIADMP Clc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168686004 1124823812 /nfs/dbraw/zinc/82/38/12/1124823812.db2.gz VLHCVJMGQBIHAN-AZUAARDMSA-N 2 1 354.925 4.309 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089703876 1124929313 /nfs/dbraw/zinc/92/93/13/1124929313.db2.gz RFXGYUNMWKJZKQ-INIZCTEOSA-N 2 1 366.278 4.150 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318252 1125299069 /nfs/dbraw/zinc/29/90/69/1125299069.db2.gz UHRVSDNWKJGEDG-FDDCHVKYSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318252 1125299075 /nfs/dbraw/zinc/29/90/75/1125299075.db2.gz UHRVSDNWKJGEDG-FDDCHVKYSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318252 1125299079 /nfs/dbraw/zinc/29/90/79/1125299079.db2.gz UHRVSDNWKJGEDG-FDDCHVKYSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318252 1125299084 /nfs/dbraw/zinc/29/90/84/1125299084.db2.gz UHRVSDNWKJGEDG-FDDCHVKYSA-N 2 1 365.521 4.130 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1Oc1cccnc1 ZINC000602275957 567962374 /nfs/dbraw/zinc/96/23/74/567962374.db2.gz PXUYNHYQDJUFBI-UHFFFAOYSA-N 2 1 351.494 4.289 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000521430105 568030234 /nfs/dbraw/zinc/03/02/34/568030234.db2.gz OBCRNRFUCZFYCW-MRXNPFEDSA-N 2 1 365.949 4.111 20 0 FIADMP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563120759 568221987 /nfs/dbraw/zinc/22/19/87/568221987.db2.gz HVGVJRHIMCTLJZ-QFIPXVFZSA-N 2 1 350.506 4.120 20 0 FIADMP Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1Oc1ccncc1 ZINC000604219462 568230341 /nfs/dbraw/zinc/23/03/41/568230341.db2.gz ICVDYIMJNVATAC-ROUUACIJSA-N 2 1 367.493 4.175 20 0 FIADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130764 568262472 /nfs/dbraw/zinc/26/24/72/568262472.db2.gz VQMGPKKJDIQHGV-BEFAXECRSA-N 2 1 374.912 4.097 20 0 FIADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000563130764 568262473 /nfs/dbraw/zinc/26/24/73/568262473.db2.gz VQMGPKKJDIQHGV-BEFAXECRSA-N 2 1 374.912 4.097 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000604418260 568276227 /nfs/dbraw/zinc/27/62/27/568276227.db2.gz NZWMTEKFNOFWCZ-UGKGYDQZSA-N 2 1 370.537 4.482 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000604418260 568276229 /nfs/dbraw/zinc/27/62/29/568276229.db2.gz NZWMTEKFNOFWCZ-UGKGYDQZSA-N 2 1 370.537 4.482 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000604418447 568276269 /nfs/dbraw/zinc/27/62/69/568276269.db2.gz ZNNKSJYPMXSBQL-KDOFPFPSSA-N 2 1 359.341 4.220 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000604418447 568276270 /nfs/dbraw/zinc/27/62/70/568276270.db2.gz ZNNKSJYPMXSBQL-KDOFPFPSSA-N 2 1 359.341 4.220 20 0 FIADMP CCCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594912 568333720 /nfs/dbraw/zinc/33/37/20/568333720.db2.gz HGBMYOQDTOZKBJ-VSKRKVRLSA-N 2 1 368.606 4.327 20 0 FIADMP CCCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594912 568333721 /nfs/dbraw/zinc/33/37/21/568333721.db2.gz HGBMYOQDTOZKBJ-VSKRKVRLSA-N 2 1 368.606 4.327 20 0 FIADMP CCCO[C@@H]1CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594913 568333915 /nfs/dbraw/zinc/33/39/15/568333915.db2.gz HGBMYOQDTOZKBJ-YPAWHYETSA-N 2 1 368.606 4.327 20 0 FIADMP CCCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594913 568333916 /nfs/dbraw/zinc/33/39/16/568333916.db2.gz HGBMYOQDTOZKBJ-YPAWHYETSA-N 2 1 368.606 4.327 20 0 FIADMP CCCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594913 568333917 /nfs/dbraw/zinc/33/39/17/568333917.db2.gz HGBMYOQDTOZKBJ-YPAWHYETSA-N 2 1 368.606 4.327 20 0 FIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@@H]21 ZINC001165025178 721815383 /nfs/dbraw/zinc/81/53/83/721815383.db2.gz LTEWXJZKSUUABJ-BAGYTPMASA-N 2 1 362.521 4.091 20 0 FIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@@H]21 ZINC001165025178 721815384 /nfs/dbraw/zinc/81/53/84/721815384.db2.gz LTEWXJZKSUUABJ-BAGYTPMASA-N 2 1 362.521 4.091 20 0 FIADMP CC(C)Oc1cc[nH+]c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996243 722202025 /nfs/dbraw/zinc/20/20/25/722202025.db2.gz SCIUVEBGKMVMOY-JOCHJYFZSA-N 2 1 369.484 4.253 20 0 FIADMP CC(C)Oc1cc[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996243 722202026 /nfs/dbraw/zinc/20/20/26/722202026.db2.gz SCIUVEBGKMVMOY-JOCHJYFZSA-N 2 1 369.484 4.253 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000619772531 1125700863 /nfs/dbraw/zinc/70/08/63/1125700863.db2.gz MIKHQTPSFSRMMZ-FQEVSTJZSA-N 2 1 356.485 4.226 20 0 FIADMP C[N@@H+](Cc1ccc2c(c1)CCCC2)C1CCN(CCc2ccccn2)CC1 ZINC000430242477 1080070804 /nfs/dbraw/zinc/07/08/04/1080070804.db2.gz XYHRSTOSCRVCSY-UHFFFAOYSA-N 2 1 363.549 4.099 20 0 FIADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000179704812 1080241272 /nfs/dbraw/zinc/24/12/72/1080241272.db2.gz YFKZCVFDAIOXTM-UHFFFAOYSA-N 2 1 373.566 4.276 20 0 FIADMP FC(F)Oc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095376 1080440997 /nfs/dbraw/zinc/44/09/97/1080440997.db2.gz LMJFEDNMSMZSBM-KKSFZXQISA-N 2 1 372.459 4.451 20 0 FIADMP FC(F)Oc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095376 1080441000 /nfs/dbraw/zinc/44/10/00/1080441000.db2.gz LMJFEDNMSMZSBM-KKSFZXQISA-N 2 1 372.459 4.451 20 0 FIADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000180576970 1080520567 /nfs/dbraw/zinc/52/05/67/1080520567.db2.gz BQURFVWVZFIMEL-YKSBVNFPSA-N 2 1 364.533 4.175 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC001648808358 1081111545 /nfs/dbraw/zinc/11/15/45/1081111545.db2.gz MEOWCRHFKBSXRW-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655696358 1081122829 /nfs/dbraw/zinc/12/28/29/1081122829.db2.gz GCBSVWHTDPHOGB-XXBNENTESA-N 2 1 374.569 4.028 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655713804 1081131203 /nfs/dbraw/zinc/13/12/03/1081131203.db2.gz WSKGENZYFINCPT-MRXNPFEDSA-N 2 1 371.352 4.114 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000655741719 1081159600 /nfs/dbraw/zinc/15/96/00/1081159600.db2.gz BLRDCBLOPZPARQ-UHFFFAOYSA-N 2 1 370.516 4.207 20 0 FIADMP c1ccc([C@@H]2CCCC[C@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655773874 1081184443 /nfs/dbraw/zinc/18/44/43/1081184443.db2.gz KCCHEIYWAULALQ-PMVMPFDFSA-N 2 1 356.554 4.193 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000121691005 1081248736 /nfs/dbraw/zinc/24/87/36/1081248736.db2.gz DZTSLZPKOYANGD-STSQHVNTSA-N 2 1 365.521 4.349 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000121691005 1081248738 /nfs/dbraw/zinc/24/87/38/1081248738.db2.gz DZTSLZPKOYANGD-STSQHVNTSA-N 2 1 365.521 4.349 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC001648828684 1081265790 /nfs/dbraw/zinc/26/57/90/1081265790.db2.gz PTEQMVHCNYRYRS-AZYNXAEESA-N 2 1 350.506 4.210 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000547968946 1081272620 /nfs/dbraw/zinc/27/26/20/1081272620.db2.gz NCZQSYTUSKEJBY-UHFFFAOYSA-N 2 1 354.542 4.395 20 0 FIADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000579982264 1081361245 /nfs/dbraw/zinc/36/12/45/1081361245.db2.gz VFYKTFRDTNDJFM-WMZOPIPTSA-N 2 1 368.949 4.015 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@H]3C2)cc1 ZINC000312639997 1081500511 /nfs/dbraw/zinc/50/05/11/1081500511.db2.gz IHBTXHZSRPHQLS-DHIUTWEWSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@H]3C2)cc1 ZINC000312639997 1081500515 /nfs/dbraw/zinc/50/05/15/1081500515.db2.gz IHBTXHZSRPHQLS-DHIUTWEWSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@H]3C2)cc1 ZINC000312639997 1081500518 /nfs/dbraw/zinc/50/05/18/1081500518.db2.gz IHBTXHZSRPHQLS-DHIUTWEWSA-N 2 1 357.501 4.189 20 0 FIADMP CC1(C)CC([NH2+][C@@H]2CCc3sc(Br)cc32)CC(C)(C)[NH2+]1 ZINC000312699900 1081593561 /nfs/dbraw/zinc/59/35/61/1081593561.db2.gz PCFFHWXDUKLSHH-GFCCVEGCSA-N 2 1 357.361 4.397 20 0 FIADMP C[N@@H+]1CC[C@H](NCc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174937 1081733158 /nfs/dbraw/zinc/73/31/58/1081733158.db2.gz WYSXDTOWVFCAGJ-DOTOQJQBSA-N 2 1 365.340 4.436 20 0 FIADMP C[N@H+]1CC[C@H](NCc2cc(Br)cs2)C[C@@H]1c1ccccc1 ZINC000580174937 1081733160 /nfs/dbraw/zinc/73/31/60/1081733160.db2.gz WYSXDTOWVFCAGJ-DOTOQJQBSA-N 2 1 365.340 4.436 20 0 FIADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245632 1081772720 /nfs/dbraw/zinc/77/27/20/1081772720.db2.gz XOMKYDQZIMBHMN-ABAIWWIYSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245632 1081772729 /nfs/dbraw/zinc/77/27/29/1081772729.db2.gz XOMKYDQZIMBHMN-ABAIWWIYSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245632 1081772739 /nfs/dbraw/zinc/77/27/39/1081772739.db2.gz XOMKYDQZIMBHMN-ABAIWWIYSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245632 1081772746 /nfs/dbraw/zinc/77/27/46/1081772746.db2.gz XOMKYDQZIMBHMN-ABAIWWIYSA-N 2 1 368.365 4.496 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3(c4ccccn4)CCC3)CC23CC3)cc1 ZINC000580325135 1081848644 /nfs/dbraw/zinc/84/86/44/1081848644.db2.gz QNNGXOLWNKUOIU-OAQYLSRUSA-N 2 1 361.533 4.290 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3(c4ccccn4)CCC3)CC23CC3)cc1 ZINC000580325135 1081848652 /nfs/dbraw/zinc/84/86/52/1081848652.db2.gz QNNGXOLWNKUOIU-OAQYLSRUSA-N 2 1 361.533 4.290 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3(c4ccccn4)CCC3)CC23CC3)cc1 ZINC000580325134 1081849333 /nfs/dbraw/zinc/84/93/33/1081849333.db2.gz QNNGXOLWNKUOIU-NRFANRHFSA-N 2 1 361.533 4.290 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3(c4ccccn4)CCC3)CC23CC3)cc1 ZINC000580325134 1081849337 /nfs/dbraw/zinc/84/93/37/1081849337.db2.gz QNNGXOLWNKUOIU-NRFANRHFSA-N 2 1 361.533 4.290 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000398009071 1081889046 /nfs/dbraw/zinc/88/90/46/1081889046.db2.gz BZIQXQZGIWLEPD-URZJWIJPSA-N 2 1 354.925 4.307 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000398009071 1081889052 /nfs/dbraw/zinc/88/90/52/1081889052.db2.gz BZIQXQZGIWLEPD-URZJWIJPSA-N 2 1 354.925 4.307 20 0 FIADMP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000580456177 1081954263 /nfs/dbraw/zinc/95/42/63/1081954263.db2.gz QDZYIELCYYVUGN-KRWDZBQOSA-N 2 1 358.913 4.159 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126409873 1082141448 /nfs/dbraw/zinc/14/14/48/1082141448.db2.gz HOKXJXKPYSPMCC-ZNDGOPKYSA-N 2 1 372.557 4.226 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126409873 1082141451 /nfs/dbraw/zinc/14/14/51/1082141451.db2.gz HOKXJXKPYSPMCC-ZNDGOPKYSA-N 2 1 372.557 4.226 20 0 FIADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548154096 1082296684 /nfs/dbraw/zinc/29/66/84/1082296684.db2.gz ZOCUBVIVUISAQG-GPFNJZLUSA-N 2 1 370.512 4.402 20 0 FIADMP Cc1cccc2c1OC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101573 1082315004 /nfs/dbraw/zinc/31/50/04/1082315004.db2.gz MIZVAHPDPPJFQF-GPJHCHHRSA-N 2 1 362.517 4.084 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430581511 1082519503 /nfs/dbraw/zinc/51/95/03/1082519503.db2.gz OQWCGICURZOUTO-ZWOKBUDYSA-N 2 1 351.494 4.059 20 0 FIADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000581399522 1082526968 /nfs/dbraw/zinc/52/69/68/1082526968.db2.gz RJKPFHRNCCCRQC-SFHVURJKSA-N 2 1 355.551 4.412 20 0 FIADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000581399522 1082526971 /nfs/dbraw/zinc/52/69/71/1082526971.db2.gz RJKPFHRNCCCRQC-SFHVURJKSA-N 2 1 355.551 4.412 20 0 FIADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000430602578 1082572390 /nfs/dbraw/zinc/57/23/90/1082572390.db2.gz WLSQMHQMFAXAAO-DYESRHJHSA-N 2 1 353.510 4.305 20 0 FIADMP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000090176699 1082675472 /nfs/dbraw/zinc/67/54/72/1082675472.db2.gz MTRSMNZIUXIKHI-VFNWGFHPSA-N 2 1 353.441 4.358 20 0 FIADMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000581634969 1082733733 /nfs/dbraw/zinc/73/37/33/1082733733.db2.gz NJCRVNWWHCWXIK-UHFFFAOYSA-N 2 1 354.523 4.018 20 0 FIADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000684394902 1082828036 /nfs/dbraw/zinc/82/80/36/1082828036.db2.gz OAHLTNVATQNGQA-RBZQAINGSA-N 2 1 363.549 4.213 20 0 FIADMP Clc1ccc2cccnc2c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410229 1082856004 /nfs/dbraw/zinc/85/60/04/1082856004.db2.gz AZXMQIDWPMMEID-SFHVURJKSA-N 2 1 365.908 4.500 20 0 FIADMP Clc1ccc2cccnc2c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000684410229 1082856010 /nfs/dbraw/zinc/85/60/10/1082856010.db2.gz AZXMQIDWPMMEID-SFHVURJKSA-N 2 1 365.908 4.500 20 0 FIADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884025 1082971453 /nfs/dbraw/zinc/97/14/53/1082971453.db2.gz ODGLYAAIEWYUPT-RTWAWAEBSA-N 2 1 366.553 4.275 20 0 FIADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884025 1082971457 /nfs/dbraw/zinc/97/14/57/1082971457.db2.gz ODGLYAAIEWYUPT-RTWAWAEBSA-N 2 1 366.553 4.275 20 0 FIADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000518267274 1083024404 /nfs/dbraw/zinc/02/44/04/1083024404.db2.gz GYWIVADZCKWVOJ-OALUTQOASA-N 2 1 368.569 4.006 20 0 FIADMP c1ccc(C[NH+](CCC[NH2+]CC2=CCCOC2)Cc2ccccc2)cc1 ZINC000127702647 1083049396 /nfs/dbraw/zinc/04/93/96/1083049396.db2.gz VHQCDXRXKYKDSI-UHFFFAOYSA-N 2 1 350.506 4.015 20 0 FIADMP CCCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(OCCC)c1 ZINC000510533172 1083143450 /nfs/dbraw/zinc/14/34/50/1083143450.db2.gz JIVAMAGUHCIUKV-SFHVURJKSA-N 2 1 357.498 4.367 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510669333 1083229116 /nfs/dbraw/zinc/22/91/16/1083229116.db2.gz VHMKZCAKTOMAQF-GJZGRUSLSA-N 2 1 353.432 4.457 20 0 FIADMP COCCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159356595 1083269183 /nfs/dbraw/zinc/26/91/83/1083269183.db2.gz LOTFLOXRAWCFFW-UHFFFAOYSA-N 2 1 358.448 4.028 20 0 FIADMP COCCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159356595 1083269188 /nfs/dbraw/zinc/26/91/88/1083269188.db2.gz LOTFLOXRAWCFFW-UHFFFAOYSA-N 2 1 358.448 4.028 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000510739272 1083288754 /nfs/dbraw/zinc/28/87/54/1083288754.db2.gz XBLLKBYCOVIBGQ-BZSNNMDCSA-N 2 1 350.934 4.412 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCCO[C@@H]21 ZINC000658320204 1083406604 /nfs/dbraw/zinc/40/66/04/1083406604.db2.gz RDLCAJRDBZVETR-MBDNFAEBSA-N 2 1 368.565 4.082 20 0 FIADMP CC(C)(C)[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658319427 1083406734 /nfs/dbraw/zinc/40/67/34/1083406734.db2.gz ATZSCQZUONYBDU-NRFANRHFSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658319427 1083406740 /nfs/dbraw/zinc/40/67/40/1083406740.db2.gz ATZSCQZUONYBDU-NRFANRHFSA-N 3 1 369.597 4.141 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658319427 1083406748 /nfs/dbraw/zinc/40/67/48/1083406748.db2.gz ATZSCQZUONYBDU-NRFANRHFSA-N 3 1 369.597 4.141 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658352118 1083424036 /nfs/dbraw/zinc/42/40/36/1083424036.db2.gz DBAGRILWUKIAAI-UHFFFAOYSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H](O)[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000658358938 1083429998 /nfs/dbraw/zinc/42/99/98/1083429998.db2.gz BBEDRGGYTHCJFC-BKAOJLMESA-N 2 1 352.522 4.141 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481577 1083464782 /nfs/dbraw/zinc/46/47/82/1083464782.db2.gz PEFGBAMCPHPZKJ-ZNLUXHQJSA-N 2 1 356.485 4.013 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481577 1083464785 /nfs/dbraw/zinc/46/47/85/1083464785.db2.gz PEFGBAMCPHPZKJ-ZNLUXHQJSA-N 2 1 356.485 4.013 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000535764612 1083633131 /nfs/dbraw/zinc/63/31/31/1083633131.db2.gz ATYYQSVBAAMPKB-KRWDZBQOSA-N 2 1 354.523 4.461 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000535764612 1083633133 /nfs/dbraw/zinc/63/31/33/1083633133.db2.gz ATYYQSVBAAMPKB-KRWDZBQOSA-N 2 1 354.523 4.461 20 0 FIADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc[nH]1 ZINC000375847103 1083680916 /nfs/dbraw/zinc/68/09/16/1083680916.db2.gz ABPRSOQHTKBHBB-YQCLPMHJSA-N 2 1 358.917 4.328 20 0 FIADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc[nH]1 ZINC000375847103 1083680924 /nfs/dbraw/zinc/68/09/24/1083680924.db2.gz ABPRSOQHTKBHBB-YQCLPMHJSA-N 2 1 358.917 4.328 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000535811360 1083681285 /nfs/dbraw/zinc/68/12/85/1083681285.db2.gz LCUAKKWPITUXFI-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000535813276 1083685419 /nfs/dbraw/zinc/68/54/19/1083685419.db2.gz YWFLJNJWOJFOBZ-UHFFFAOYSA-N 2 1 355.501 4.440 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000510991183 1083860436 /nfs/dbraw/zinc/86/04/36/1083860436.db2.gz GZWCWYXQDGZUPE-AWEZNQCLSA-N 2 1 357.889 4.080 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000236828914 1083992450 /nfs/dbraw/zinc/99/24/50/1083992450.db2.gz KGIWFIINURLBBM-MJGOQNOKSA-N 2 1 368.525 4.019 20 0 FIADMP C[NH+]1CCC([C@H]2CCN(c3cc[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000535914200 1083993194 /nfs/dbraw/zinc/99/31/94/1083993194.db2.gz LTYHTUXIKUDTJX-HNNXBMFYSA-N 2 1 374.326 4.165 20 0 FIADMP CCSc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000472035202 1084127575 /nfs/dbraw/zinc/12/75/75/1084127575.db2.gz NTZAJEDMYAJFEE-GOSISDBHSA-N 2 1 370.562 4.309 20 0 FIADMP CCSc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000472035202 1084127591 /nfs/dbraw/zinc/12/75/91/1084127591.db2.gz NTZAJEDMYAJFEE-GOSISDBHSA-N 2 1 370.562 4.309 20 0 FIADMP CC[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000647497522 1084252607 /nfs/dbraw/zinc/25/26/07/1084252607.db2.gz JSXVBCSMQGYPKY-OXJNMPFZSA-N 2 1 371.912 4.152 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000511054494 1084437474 /nfs/dbraw/zinc/43/74/74/1084437474.db2.gz NCJQBMADIKNXLC-FQEVSTJZSA-N 2 1 354.885 4.204 20 0 FIADMP Clc1cccc([C@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000414124192 1084628306 /nfs/dbraw/zinc/62/83/06/1084628306.db2.gz PFJNXIAUQOBHIJ-ICSRJNTNSA-N 2 1 362.945 4.211 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000511498326 1084664616 /nfs/dbraw/zinc/66/46/16/1084664616.db2.gz XZWVGMGQPQWFSW-UGKGYDQZSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000511498326 1084664621 /nfs/dbraw/zinc/66/46/21/1084664621.db2.gz XZWVGMGQPQWFSW-UGKGYDQZSA-N 2 1 374.532 4.230 20 0 FIADMP CCc1nnc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)s1 ZINC000892541113 1084669055 /nfs/dbraw/zinc/66/90/55/1084669055.db2.gz ZACNOGJPZGGNTB-UHFFFAOYSA-N 2 1 366.534 4.119 20 0 FIADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1cc(Br)ccc1F ZINC000582129747 1084673146 /nfs/dbraw/zinc/67/31/46/1084673146.db2.gz AYRAIMGFIYGBPD-UHFFFAOYSA-N 2 1 368.294 4.165 20 0 FIADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1cc(Br)ccc1F ZINC000582129747 1084673149 /nfs/dbraw/zinc/67/31/49/1084673149.db2.gz AYRAIMGFIYGBPD-UHFFFAOYSA-N 2 1 368.294 4.165 20 0 FIADMP CC1(C)CCc2ccccc2[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000684773053 1084702285 /nfs/dbraw/zinc/70/22/85/1084702285.db2.gz XDSAEIATCUIXJP-RBBKRZOGSA-N 2 1 356.554 4.323 20 0 FIADMP c1csc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2)c1 ZINC000657363955 1084744077 /nfs/dbraw/zinc/74/40/77/1084744077.db2.gz FTFGZUXEXWMPEL-GOSISDBHSA-N 2 1 356.535 4.006 20 0 FIADMP CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(C)c1 ZINC000657369984 1084775797 /nfs/dbraw/zinc/77/57/97/1084775797.db2.gz LADUPMQLEWCJQK-UHFFFAOYSA-N 2 1 371.525 4.000 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000657375291 1084792941 /nfs/dbraw/zinc/79/29/41/1084792941.db2.gz XQGFQNRBKNRBPE-UHFFFAOYSA-N 2 1 362.271 4.270 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511107714 1084925144 /nfs/dbraw/zinc/92/51/44/1084925144.db2.gz OHWAPYDBYDPUCD-KRWDZBQOSA-N 2 1 351.416 4.480 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511107714 1084925147 /nfs/dbraw/zinc/92/51/47/1084925147.db2.gz OHWAPYDBYDPUCD-KRWDZBQOSA-N 2 1 351.416 4.480 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC001167571940 1084967096 /nfs/dbraw/zinc/96/70/96/1084967096.db2.gz DYDLMIHZTVAETL-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC001167571940 1084967098 /nfs/dbraw/zinc/96/70/98/1084967098.db2.gz DYDLMIHZTVAETL-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571940 1084967102 /nfs/dbraw/zinc/96/71/02/1084967102.db2.gz DYDLMIHZTVAETL-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571940 1084967106 /nfs/dbraw/zinc/96/71/06/1084967106.db2.gz DYDLMIHZTVAETL-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000414293094 1084981079 /nfs/dbraw/zinc/98/10/79/1084981079.db2.gz BWUHXCNZHKFQLI-UHFFFAOYSA-N 2 1 370.516 4.064 20 0 FIADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001167573362 1084992428 /nfs/dbraw/zinc/99/24/28/1084992428.db2.gz VKNLBHHDVKEEFE-PUHATCMVSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573362 1084992431 /nfs/dbraw/zinc/99/24/31/1084992431.db2.gz VKNLBHHDVKEEFE-PUHATCMVSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573362 1084992434 /nfs/dbraw/zinc/99/24/34/1084992434.db2.gz VKNLBHHDVKEEFE-PUHATCMVSA-N 2 1 357.586 4.234 20 0 FIADMP c1ccc(COc2cccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000388681799 1085095022 /nfs/dbraw/zinc/09/50/22/1085095022.db2.gz FAYPMQSWHPJMIL-UHFFFAOYSA-N 2 1 350.506 4.025 20 0 FIADMP COc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccn2)cc1 ZINC000652137230 1085181778 /nfs/dbraw/zinc/18/17/78/1085181778.db2.gz DIHPBHDZRFSLDC-HSZRJFAPSA-N 2 1 361.489 4.031 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2sccc21 ZINC000582587969 1085199594 /nfs/dbraw/zinc/19/95/94/1085199594.db2.gz OCFJRRNHVKWQMU-UIFIKXQLSA-N 2 1 369.578 4.265 20 0 FIADMP CC[N@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061281 1085271264 /nfs/dbraw/zinc/27/12/64/1085271264.db2.gz GOBZCHUBDVWUEH-UHFFFAOYSA-N 2 1 367.537 4.332 20 0 FIADMP CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061281 1085271275 /nfs/dbraw/zinc/27/12/75/1085271275.db2.gz GOBZCHUBDVWUEH-UHFFFAOYSA-N 2 1 367.537 4.332 20 0 FIADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000626062082 1085272564 /nfs/dbraw/zinc/27/25/64/1085272564.db2.gz FUKLFWRPEOQTCK-QGZVFWFLSA-N 2 1 364.493 4.381 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000626062082 1085272575 /nfs/dbraw/zinc/27/25/75/1085272575.db2.gz FUKLFWRPEOQTCK-QGZVFWFLSA-N 2 1 364.493 4.381 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758839 1085455194 /nfs/dbraw/zinc/45/51/94/1085455194.db2.gz PMUFHOYCQNOUIF-ICSRJNTNSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000651758839 1085455201 /nfs/dbraw/zinc/45/52/01/1085455201.db2.gz PMUFHOYCQNOUIF-ICSRJNTNSA-N 2 1 366.553 4.232 20 0 FIADMP C[C@H](CC[N@H+]1CC[C@@H](CC(F)(F)F)C1)[NH+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707418 1085549043 /nfs/dbraw/zinc/54/90/43/1085549043.db2.gz PPINBRFXOFPQKG-HZSPNIEDSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@@H](CC(F)(F)F)C1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707418 1085549051 /nfs/dbraw/zinc/54/90/51/1085549051.db2.gz PPINBRFXOFPQKG-HZSPNIEDSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@@H](CC(F)(F)F)C1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707418 1085549059 /nfs/dbraw/zinc/54/90/59/1085549059.db2.gz PPINBRFXOFPQKG-HZSPNIEDSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806764 1085594998 /nfs/dbraw/zinc/59/49/98/1085594998.db2.gz UEQSBSMHPLEVLV-MRXNPFEDSA-N 2 1 374.554 4.447 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1F ZINC000661485006 1085598958 /nfs/dbraw/zinc/59/89/58/1085598958.db2.gz NYEYKFCWBDPSDI-QFIPXVFZSA-N 2 1 356.485 4.145 20 0 FIADMP CC[N@H+](CCC[NH2+]Cc1cnc(-c2ccccn2)s1)C1CCCCC1 ZINC000651910460 1085632885 /nfs/dbraw/zinc/63/28/85/1085632885.db2.gz UPLOLUBSZKQLFJ-UHFFFAOYSA-N 2 1 358.555 4.339 20 0 FIADMP CC[N@@H+](CCC[NH2+]Cc1cnc(-c2ccccn2)s1)C1CCCCC1 ZINC000651910460 1085632891 /nfs/dbraw/zinc/63/28/91/1085632891.db2.gz UPLOLUBSZKQLFJ-UHFFFAOYSA-N 2 1 358.555 4.339 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3ccnc4ccccc34)CC2)cc1 ZINC000657589657 1085651618 /nfs/dbraw/zinc/65/16/18/1085651618.db2.gz CRGVFUZSMFGHBB-UHFFFAOYSA-N 2 1 359.517 4.074 20 0 FIADMP C[NH+](C)C[C@@H]1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)C1 ZINC000549556731 1085705028 /nfs/dbraw/zinc/70/50/28/1085705028.db2.gz SGQREPAXIAUROU-ZDUSSCGKSA-N 2 1 374.326 4.263 20 0 FIADMP C[C@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000237534826 1085717326 /nfs/dbraw/zinc/71/73/26/1085717326.db2.gz XNASFUIUEROBTJ-GOSISDBHSA-N 2 1 371.569 4.415 20 0 FIADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347990 1085919153 /nfs/dbraw/zinc/91/91/53/1085919153.db2.gz QTEIBWOQEBOWEA-PXMRGAAZSA-N 2 1 357.325 4.273 20 0 FIADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350240 1085927429 /nfs/dbraw/zinc/92/74/29/1085927429.db2.gz NITLCHURBBOOLQ-SDCOAXJVSA-N 2 1 357.325 4.273 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)C1 ZINC000628203538 1086207422 /nfs/dbraw/zinc/20/74/22/1086207422.db2.gz MEFYQTYPTDLTRN-IRXDYDNUSA-N 2 1 353.510 4.320 20 0 FIADMP Clc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294057 1086400079 /nfs/dbraw/zinc/40/00/79/1086400079.db2.gz AMSFPTGBOGBQFN-QGZVFWFLSA-N 2 1 359.901 4.207 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](Cc3ccccc3)C3CC3)CC2)oc1C ZINC000162723619 1086447701 /nfs/dbraw/zinc/44/77/01/1086447701.db2.gz GSIAOATWKZUTOA-QFIPXVFZSA-N 2 1 367.537 4.114 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662661339 1086518738 /nfs/dbraw/zinc/51/87/38/1086518738.db2.gz PQFOLDIGYLNBIN-UHFFFAOYSA-N 2 1 363.505 4.307 20 0 FIADMP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000657752270 1086567942 /nfs/dbraw/zinc/56/79/42/1086567942.db2.gz XNCGCNUHHGXJBH-IBGZPJMESA-N 2 1 356.535 4.066 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663466994 1086568027 /nfs/dbraw/zinc/56/80/27/1086568027.db2.gz CIXFMAVQVREVOC-GDBMZVCRSA-N 2 1 368.468 4.069 20 0 FIADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663468539 1086572115 /nfs/dbraw/zinc/57/21/15/1086572115.db2.gz LWCVRGLJVHKDQW-RTBURBONSA-N 2 1 351.538 4.045 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511993390 1086599824 /nfs/dbraw/zinc/59/98/24/1086599824.db2.gz XIMQYFAOZPKLHL-PPTUWVGOSA-N 2 1 356.460 4.478 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001167824290 1086606702 /nfs/dbraw/zinc/60/67/02/1086606702.db2.gz GLKXKWYJKCBEOF-HXUWFJFHSA-N 3 1 361.574 4.078 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833376 1086665228 /nfs/dbraw/zinc/66/52/28/1086665228.db2.gz AMOSSNKZFOOGFR-RBUKOAKNSA-N 2 1 369.594 4.218 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338792 1086675535 /nfs/dbraw/zinc/67/55/35/1086675535.db2.gz UCPFJBOKVJZOSK-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000583456814 1086700588 /nfs/dbraw/zinc/70/05/88/1086700588.db2.gz ZWMQYRXFGQDGHF-VHJOFQCFSA-N 2 1 368.565 4.224 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167835217 1086700958 /nfs/dbraw/zinc/70/09/58/1086700958.db2.gz OWFSGGDLDGBVCV-WIYYLYMNSA-N 2 1 369.594 4.124 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC001167836789 1086709830 /nfs/dbraw/zinc/70/98/30/1086709830.db2.gz HGPWOUREBQWXIQ-OAHLLOKOSA-N 2 1 353.348 4.318 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167837219 1086711512 /nfs/dbraw/zinc/71/15/12/1086711512.db2.gz JOROIKBTWYHZSS-MOPGFXCFSA-N 2 1 369.594 4.076 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001167840008 1086719708 /nfs/dbraw/zinc/71/97/08/1086719708.db2.gz DGITWYTUBMDYIA-IPMKNSEASA-N 2 1 369.594 4.265 20 0 FIADMP C[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941296 1086722765 /nfs/dbraw/zinc/72/27/65/1086722765.db2.gz TULDZLGIEAROIT-CTNGQTDRSA-N 2 1 350.506 4.241 20 0 FIADMP C[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941296 1086722769 /nfs/dbraw/zinc/72/27/69/1086722769.db2.gz TULDZLGIEAROIT-CTNGQTDRSA-N 2 1 350.506 4.241 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000166686065 1086723426 /nfs/dbraw/zinc/72/34/26/1086723426.db2.gz RWJYXECUKKQGNZ-KVUUWBKYSA-N 2 1 367.518 4.330 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CCCO1 ZINC000432419077 1086743739 /nfs/dbraw/zinc/74/37/39/1086743739.db2.gz YSVUTKZZOWSYEQ-POAQFYNOSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CCCO1 ZINC000432419077 1086743748 /nfs/dbraw/zinc/74/37/48/1086743748.db2.gz YSVUTKZZOWSYEQ-POAQFYNOSA-N 2 1 350.934 4.067 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000432426091 1086753792 /nfs/dbraw/zinc/75/37/92/1086753792.db2.gz YACSNAJLEVTGSM-WIYYLYMNSA-N 2 1 360.542 4.114 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001167842773 1086756673 /nfs/dbraw/zinc/75/66/73/1086756673.db2.gz YNKPRZXWUCLHLT-LJQANCHMSA-N 3 1 363.565 4.232 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001167842773 1086756678 /nfs/dbraw/zinc/75/66/78/1086756678.db2.gz YNKPRZXWUCLHLT-LJQANCHMSA-N 3 1 363.565 4.232 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000650722534 1086818699 /nfs/dbraw/zinc/81/86/99/1086818699.db2.gz WBTIGQRMYLKIHT-UXPWSPDFSA-N 2 1 374.525 4.415 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000650723007 1086822493 /nfs/dbraw/zinc/82/24/93/1086822493.db2.gz GFEKJMSDILSTOL-HOJAQTOUSA-N 2 1 374.525 4.415 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000236826936 1086870255 /nfs/dbraw/zinc/87/02/55/1086870255.db2.gz YAIFOUYMDDKSED-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP CCOCc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1OC ZINC000512180279 1086903491 /nfs/dbraw/zinc/90/34/91/1086903491.db2.gz NSIMXWFLZBMYSZ-OAQYLSRUSA-N 2 1 374.569 4.176 20 0 FIADMP CCOCc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1OC ZINC000512180279 1086903493 /nfs/dbraw/zinc/90/34/93/1086903493.db2.gz NSIMXWFLZBMYSZ-OAQYLSRUSA-N 2 1 374.569 4.176 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)c(Br)c1 ZINC000583720413 1086930391 /nfs/dbraw/zinc/93/03/91/1086930391.db2.gz HILRFCHCSGWRRW-UHFFFAOYSA-N 2 1 364.331 4.429 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)c(Br)c1 ZINC000583720413 1086930394 /nfs/dbraw/zinc/93/03/94/1086930394.db2.gz HILRFCHCSGWRRW-UHFFFAOYSA-N 2 1 364.331 4.429 20 0 FIADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000151370430 1087098088 /nfs/dbraw/zinc/09/80/88/1087098088.db2.gz CSWTYAWPKFMZBC-HNNXBMFYSA-N 2 1 362.514 4.052 20 0 FIADMP CCCCOc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000584105798 1087176088 /nfs/dbraw/zinc/17/60/88/1087176088.db2.gz QCYXLLOAZICNGT-HXUWFJFHSA-N 2 1 360.542 4.038 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)cc2cc1OC ZINC000657829492 1087177843 /nfs/dbraw/zinc/17/78/43/1087177843.db2.gz DBCGIHFHIKXTCJ-HNNXBMFYSA-N 2 1 354.494 4.134 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584173225 1087201788 /nfs/dbraw/zinc/20/17/88/1087201788.db2.gz ZVXKTDOBRPKQHA-WZONZLPQSA-N 2 1 363.505 4.075 20 0 FIADMP CCN(CC)C(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000127345070 1087218076 /nfs/dbraw/zinc/21/80/76/1087218076.db2.gz JZIAVGOEZLIMGT-UHFFFAOYSA-N 2 1 371.569 4.055 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)c(Cl)c1 ZINC000657839873 1087277099 /nfs/dbraw/zinc/27/70/99/1087277099.db2.gz IITACHDVHPVTLK-YUTCNCBUSA-N 2 1 357.723 4.380 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000089667542 1087389909 /nfs/dbraw/zinc/38/99/09/1087389909.db2.gz LQDSVNSLCSISAY-MJGOQNOKSA-N 2 1 369.578 4.207 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000090524297 1087411910 /nfs/dbraw/zinc/41/19/10/1087411910.db2.gz ZMQGPBWLBNFYJO-AGRHKRQWSA-N 2 1 371.352 4.412 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000091265918 1087426405 /nfs/dbraw/zinc/42/64/05/1087426405.db2.gz SLTUYXOVZGJCIC-HSZRJFAPSA-N 2 1 350.506 4.068 20 0 FIADMP CCOc1cc2[nH+]ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2cc1OCC ZINC000091479924 1087429767 /nfs/dbraw/zinc/42/97/67/1087429767.db2.gz XDFQEXGKGLZKOB-HNNXBMFYSA-N 2 1 366.465 4.139 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770191 1087456326 /nfs/dbraw/zinc/45/63/26/1087456326.db2.gz TWIPKCFPMAGAID-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770191 1087456329 /nfs/dbraw/zinc/45/63/29/1087456329.db2.gz TWIPKCFPMAGAID-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770191 1087456331 /nfs/dbraw/zinc/45/63/31/1087456331.db2.gz TWIPKCFPMAGAID-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000093770191 1087456332 /nfs/dbraw/zinc/45/63/32/1087456332.db2.gz TWIPKCFPMAGAID-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000511267744 1087529648 /nfs/dbraw/zinc/52/96/48/1087529648.db2.gz AEWMBBFSCROJAM-RGEXLXHISA-N 2 1 365.521 4.198 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]CCCCn3cc[nH+]c3C)cc2cc1OC ZINC000657890754 1087566921 /nfs/dbraw/zinc/56/69/21/1087566921.db2.gz SBNHKVOOAIETAK-INIZCTEOSA-N 2 1 367.493 4.493 20 0 FIADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470328 1087577595 /nfs/dbraw/zinc/57/75/95/1087577595.db2.gz HAJBPTGDQUCJQM-JTSKRJEESA-N 2 1 356.485 4.177 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470328 1087577598 /nfs/dbraw/zinc/57/75/98/1087577598.db2.gz HAJBPTGDQUCJQM-JTSKRJEESA-N 2 1 356.485 4.177 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470328 1087577601 /nfs/dbraw/zinc/57/76/01/1087577601.db2.gz HAJBPTGDQUCJQM-JTSKRJEESA-N 2 1 356.485 4.177 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470328 1087577602 /nfs/dbraw/zinc/57/76/02/1087577602.db2.gz HAJBPTGDQUCJQM-JTSKRJEESA-N 2 1 356.485 4.177 20 0 FIADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685459731 1087578327 /nfs/dbraw/zinc/57/83/27/1087578327.db2.gz JMFKDMJDSMSKCP-UHFFFAOYSA-N 2 1 366.509 4.141 20 0 FIADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000685459731 1087578332 /nfs/dbraw/zinc/57/83/32/1087578332.db2.gz JMFKDMJDSMSKCP-UHFFFAOYSA-N 2 1 366.509 4.141 20 0 FIADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000657899533 1087593784 /nfs/dbraw/zinc/59/37/84/1087593784.db2.gz XCARSWGQGKEZDX-IBGZPJMESA-N 2 1 352.950 4.140 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658136608 1087730894 /nfs/dbraw/zinc/73/08/94/1087730894.db2.gz HNVLBGJQJZODEZ-NKKJXINNSA-N 2 1 364.533 4.227 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CCC2)cc1 ZINC000658141946 1087733436 /nfs/dbraw/zinc/73/34/36/1087733436.db2.gz YCMFBMKFLKGGMI-BJKOFHAPSA-N 2 1 364.533 4.193 20 0 FIADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000658141191 1087734290 /nfs/dbraw/zinc/73/42/90/1087734290.db2.gz ROLLWGBEKJQUPB-DENIHFKCSA-N 2 1 352.522 4.029 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CCCC2)o1 ZINC000658142421 1087734909 /nfs/dbraw/zinc/73/49/09/1087734909.db2.gz YGRHUUSMBIZBQK-JTHBVZDNSA-N 2 1 368.521 4.176 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143216 1087735263 /nfs/dbraw/zinc/73/52/63/1087735263.db2.gz XSORSJHFQDGXHX-PXNSSMCTSA-N 2 1 370.562 4.216 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(s1)CCCC2 ZINC000658142530 1087735779 /nfs/dbraw/zinc/73/57/79/1087735779.db2.gz YMMKNYMCNWKEOG-OXQOHEQNSA-N 2 1 370.562 4.044 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000472357262 1087746021 /nfs/dbraw/zinc/74/60/21/1087746021.db2.gz YXYGQHXMIHSOKI-AZUAARDMSA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000472357262 1087746028 /nfs/dbraw/zinc/74/60/28/1087746028.db2.gz YXYGQHXMIHSOKI-AZUAARDMSA-N 2 1 355.551 4.193 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@H+]3CCC[C@H](C)C3)C[C@H]2C1 ZINC000424269631 1087891197 /nfs/dbraw/zinc/89/11/97/1087891197.db2.gz PLAIFVIPFKORQO-AZCFJWIISA-N 2 1 356.554 4.212 20 0 FIADMP [NH3+]C[C@H](C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275439 1087908246 /nfs/dbraw/zinc/90/82/46/1087908246.db2.gz AXHFDOORZYGGJP-CRAIPNDOSA-N 2 1 355.482 4.315 20 0 FIADMP [NH3+]C[C@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275439 1087908250 /nfs/dbraw/zinc/90/82/50/1087908250.db2.gz AXHFDOORZYGGJP-CRAIPNDOSA-N 2 1 355.482 4.315 20 0 FIADMP COC(=O)CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000414343179 1087912044 /nfs/dbraw/zinc/91/20/44/1087912044.db2.gz YCLOYNHJBGGDKX-NRFANRHFSA-N 2 1 358.526 4.068 20 0 FIADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1)CC(C)C ZINC000424427311 1087993612 /nfs/dbraw/zinc/99/36/12/1087993612.db2.gz OQJXMZQTRLMPID-UHFFFAOYSA-N 2 1 374.573 4.066 20 0 FIADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647542688 1088013872 /nfs/dbraw/zinc/01/38/72/1088013872.db2.gz ABBYVYMHAKRSCF-SJORKVTESA-N 2 1 359.514 4.161 20 0 FIADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccnc1 ZINC000164153713 1088254950 /nfs/dbraw/zinc/25/49/50/1088254950.db2.gz YXZDWPWKTMPTCB-HSZRJFAPSA-N 2 1 369.528 4.257 20 0 FIADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000472615376 1088269584 /nfs/dbraw/zinc/26/95/84/1088269584.db2.gz YHMFYPOMUPQQJI-UHFFFAOYSA-N 2 1 350.506 4.422 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000311427429 1088375424 /nfs/dbraw/zinc/37/54/24/1088375424.db2.gz GFMNDPZIAUVGNT-IEBWSBKVSA-N 2 1 356.485 4.397 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000659284817 1088420720 /nfs/dbraw/zinc/42/07/20/1088420720.db2.gz HQIDJRNTLLIJSR-JTSKRJEESA-N 2 1 363.505 4.092 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581924 1088530933 /nfs/dbraw/zinc/53/09/33/1088530933.db2.gz DAOAAVIRGRSYHA-IEBWSBKVSA-N 2 1 356.485 4.397 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581924 1088530943 /nfs/dbraw/zinc/53/09/43/1088530943.db2.gz DAOAAVIRGRSYHA-IEBWSBKVSA-N 2 1 356.485 4.397 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000311479523 1088688096 /nfs/dbraw/zinc/68/80/96/1088688096.db2.gz HIKCDFFXZWUVLC-VGOFRKELSA-N 2 1 356.485 4.397 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514025 1088707067 /nfs/dbraw/zinc/70/70/67/1088707067.db2.gz OEUDNMIWEYKUFT-AZUAARDMSA-N 2 1 350.506 4.184 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCC(F)(F)C1 ZINC000514126580 1088773010 /nfs/dbraw/zinc/77/30/10/1088773010.db2.gz JVAVIRSGGLAWAJ-GOSISDBHSA-N 2 1 351.485 4.445 20 0 FIADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000514248771 1088944862 /nfs/dbraw/zinc/94/48/62/1088944862.db2.gz VOJSUKMCJHGUSZ-XAUMDUMWSA-N 2 1 350.934 4.270 20 0 FIADMP Fc1ccc(SCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434686636 1088945797 /nfs/dbraw/zinc/94/57/97/1088945797.db2.gz AKTJNMOANGWDSH-UHFFFAOYSA-N 2 1 359.514 4.330 20 0 FIADMP c1[nH+]c(C2CC[NH+](CCCOCCc3ccccc3)CC2)n2c1CCCC2 ZINC000434683693 1088952305 /nfs/dbraw/zinc/95/23/05/1088952305.db2.gz FFYZOSRIQHFADQ-UHFFFAOYSA-N 2 1 367.537 4.048 20 0 FIADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2cc(N)ccc2O1 ZINC000415023002 1089063504 /nfs/dbraw/zinc/06/35/04/1089063504.db2.gz CTECLJLHDMUUFP-OAQYLSRUSA-N 2 1 365.521 4.125 20 0 FIADMP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415074779 1089126060 /nfs/dbraw/zinc/12/60/60/1089126060.db2.gz ATOOSAASZFOYBH-MJGOQNOKSA-N 2 1 364.411 4.211 20 0 FIADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415085553 1089132012 /nfs/dbraw/zinc/13/20/12/1089132012.db2.gz QJKXJFCUMOFKIK-QZTJIDSGSA-N 2 1 364.411 4.211 20 0 FIADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415110374 1089171240 /nfs/dbraw/zinc/17/12/40/1089171240.db2.gz SQDNKQIMKPUDBS-BDTNDASRSA-N 2 1 366.505 4.152 20 0 FIADMP C[C@H](Cn1cccn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549225483 1089283427 /nfs/dbraw/zinc/28/34/27/1089283427.db2.gz NDRWILFPEZIUJX-XZBHBCHMSA-N 2 1 372.944 4.129 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000549227985 1089287047 /nfs/dbraw/zinc/28/70/47/1089287047.db2.gz GKUVDHMESUIXHD-MZMPZRCHSA-N 2 1 351.332 4.289 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC[N@H+]1C ZINC000549227985 1089287056 /nfs/dbraw/zinc/28/70/56/1089287056.db2.gz GKUVDHMESUIXHD-MZMPZRCHSA-N 2 1 351.332 4.289 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549236669 1089309678 /nfs/dbraw/zinc/30/96/78/1089309678.db2.gz DBGXKGOQMMKLIC-SESVOUGMSA-N 2 1 362.945 4.269 20 0 FIADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)cc1 ZINC000430124688 1089367788 /nfs/dbraw/zinc/36/77/88/1089367788.db2.gz LHQNFQYFTHDNHM-JOCHJYFZSA-N 2 1 352.478 4.015 20 0 FIADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)cc1 ZINC000430124688 1089367814 /nfs/dbraw/zinc/36/78/14/1089367814.db2.gz LHQNFQYFTHDNHM-JOCHJYFZSA-N 2 1 352.478 4.015 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2)cc1 ZINC000430124688 1089367851 /nfs/dbraw/zinc/36/78/51/1089367851.db2.gz LHQNFQYFTHDNHM-JOCHJYFZSA-N 2 1 352.478 4.015 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2)cc1 ZINC000430124688 1089367879 /nfs/dbraw/zinc/36/78/79/1089367879.db2.gz LHQNFQYFTHDNHM-JOCHJYFZSA-N 2 1 352.478 4.015 20 0 FIADMP C[C@@H](CC[NH2+]Cc1ccccc1-c1ccnn1C)[N@@H+](C)Cc1ccccc1 ZINC000511523970 1089397866 /nfs/dbraw/zinc/39/78/66/1089397866.db2.gz PYTGEKUEAIKOFV-IBGZPJMESA-N 2 1 362.521 4.087 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(-c2ccnn2C)c1 ZINC000549250699 1089417335 /nfs/dbraw/zinc/41/73/35/1089417335.db2.gz HKSBWHPAMPILAZ-IBGZPJMESA-N 2 1 354.542 4.140 20 0 FIADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cnc1F ZINC000893018533 1089675241 /nfs/dbraw/zinc/67/52/41/1089675241.db2.gz JAFKKBJYWCTQFN-UHFFFAOYSA-N 2 1 353.441 4.044 20 0 FIADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000182094238 1090048385 /nfs/dbraw/zinc/04/83/85/1090048385.db2.gz YRVMAUVLWQNFLI-KRWDZBQOSA-N 2 1 364.468 4.076 20 0 FIADMP CSc1cc(Br)ccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000584556980 1090127456 /nfs/dbraw/zinc/12/74/56/1090127456.db2.gz FIXJVACTKFXOTI-UHFFFAOYSA-N 2 1 368.344 4.198 20 0 FIADMP CSc1cc(Br)ccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000584556980 1090127461 /nfs/dbraw/zinc/12/74/61/1090127461.db2.gz FIXJVACTKFXOTI-UHFFFAOYSA-N 2 1 368.344 4.198 20 0 FIADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000181775875 1090307158 /nfs/dbraw/zinc/30/71/58/1090307158.db2.gz KUTHVMWLNFDBJD-ROUUACIJSA-N 2 1 370.537 4.455 20 0 FIADMP CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000312148362 1090319904 /nfs/dbraw/zinc/31/99/04/1090319904.db2.gz DCBKYDQGTJQECS-NSHGMRRFSA-N 2 1 371.525 4.237 20 0 FIADMP COc1ccc([C@@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413492 1090707931 /nfs/dbraw/zinc/70/79/31/1090707931.db2.gz GFXJSTVWCCTHSC-WZONZLPQSA-N 2 1 368.521 4.267 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413492 1090707941 /nfs/dbraw/zinc/70/79/41/1090707941.db2.gz GFXJSTVWCCTHSC-WZONZLPQSA-N 2 1 368.521 4.267 20 0 FIADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000584688005 1090721055 /nfs/dbraw/zinc/72/10/55/1090721055.db2.gz XZZPZBOCYQUEOY-OAQYLSRUSA-N 2 1 364.537 4.013 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000651469313 1091051749 /nfs/dbraw/zinc/05/17/49/1091051749.db2.gz JWTIQTHWIHXUHE-JYPHPWERSA-N 2 1 352.469 4.037 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(OC(F)F)CC1 ZINC000651469313 1091051755 /nfs/dbraw/zinc/05/17/55/1091051755.db2.gz JWTIQTHWIHXUHE-JYPHPWERSA-N 2 1 352.469 4.037 20 0 FIADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927082 1091099966 /nfs/dbraw/zinc/09/99/66/1091099966.db2.gz HVJSGFBEFZHVQP-CUXKYVRBSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927082 1091099970 /nfs/dbraw/zinc/09/99/70/1091099970.db2.gz HVJSGFBEFZHVQP-CUXKYVRBSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927082 1091099978 /nfs/dbraw/zinc/09/99/78/1091099978.db2.gz HVJSGFBEFZHVQP-CUXKYVRBSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927082 1091099983 /nfs/dbraw/zinc/09/99/83/1091099983.db2.gz HVJSGFBEFZHVQP-CUXKYVRBSA-N 2 1 357.586 4.168 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CC23CC3)cc1 ZINC000582121714 1091259069 /nfs/dbraw/zinc/25/90/69/1091259069.db2.gz CZGSBXURGLBGRE-XGAJZPNHSA-N 2 1 358.529 4.359 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CC23CC3)cc1 ZINC000582121714 1091259075 /nfs/dbraw/zinc/25/90/75/1091259075.db2.gz CZGSBXURGLBGRE-XGAJZPNHSA-N 2 1 358.529 4.359 20 0 FIADMP COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635338 1091342306 /nfs/dbraw/zinc/34/23/06/1091342306.db2.gz JUSUSPBXZAEDSQ-JOCHJYFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635338 1091342319 /nfs/dbraw/zinc/34/23/19/1091342319.db2.gz JUSUSPBXZAEDSQ-JOCHJYFZSA-N 2 1 368.521 4.094 20 0 FIADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398201906 1091347879 /nfs/dbraw/zinc/34/78/79/1091347879.db2.gz PXNDEWGKKDHYMU-CVDCTZTESA-N 2 1 352.522 4.476 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464737 1091370487 /nfs/dbraw/zinc/37/04/87/1091370487.db2.gz CYJZDMFTAFOJMX-WMZOPIPTSA-N 2 1 360.448 4.461 20 0 FIADMP c1[nH+]c(C2CC[NH+](CCc3nsc4ccccc43)CC2)n2c1CCCC2 ZINC000660433845 1091415196 /nfs/dbraw/zinc/41/51/96/1091415196.db2.gz CQYNZSAURGYSNL-UHFFFAOYSA-N 2 1 366.534 4.251 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC000512195931 1091888845 /nfs/dbraw/zinc/88/88/45/1091888845.db2.gz ONIXNSXVBRGHGL-GOSISDBHSA-N 2 1 355.501 4.318 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC000512195931 1091888851 /nfs/dbraw/zinc/88/88/51/1091888851.db2.gz ONIXNSXVBRGHGL-GOSISDBHSA-N 2 1 355.501 4.318 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000512250034 1091965303 /nfs/dbraw/zinc/96/53/03/1091965303.db2.gz RLZNIAJQDLNUJG-UHFFFAOYSA-N 2 1 365.949 4.113 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512286057 1092009910 /nfs/dbraw/zinc/00/99/10/1092009910.db2.gz ADOCEWMLFDBZRI-ODTAKUCXSA-N 2 1 370.581 4.470 20 0 FIADMP COc1ccc(C)cc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432673874 1092060665 /nfs/dbraw/zinc/06/06/65/1092060665.db2.gz YCHMJMQTOPPZDK-FQEVSTJZSA-N 2 1 356.535 4.209 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000236794754 1092128199 /nfs/dbraw/zinc/12/81/99/1092128199.db2.gz MZLCSZOVSIBGGW-UHFFFAOYSA-N 2 1 356.485 4.369 20 0 FIADMP Fc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000500487372 1092131475 /nfs/dbraw/zinc/13/14/75/1092131475.db2.gz IXYDIMYTAOODRD-UHFFFAOYSA-N 2 1 353.416 4.225 20 0 FIADMP Fc1ccc(C[N@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000500487372 1092131482 /nfs/dbraw/zinc/13/14/82/1092131482.db2.gz IXYDIMYTAOODRD-UHFFFAOYSA-N 2 1 353.416 4.225 20 0 FIADMP CCCc1nc(C)c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000428236209 1092306334 /nfs/dbraw/zinc/30/63/34/1092306334.db2.gz GOZYFIWTOFWOEB-YLJYHZDGSA-N 2 1 355.526 4.420 20 0 FIADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000509529895 1092337369 /nfs/dbraw/zinc/33/73/69/1092337369.db2.gz WKZJSAIQXBASNU-UHFFFAOYSA-N 2 1 359.311 4.300 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(F)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012516 1092341633 /nfs/dbraw/zinc/34/16/33/1092341633.db2.gz BHRVRYRTPBSTCE-WKZKVMAPSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012516 1092341637 /nfs/dbraw/zinc/34/16/37/1092341637.db2.gz BHRVRYRTPBSTCE-WKZKVMAPSA-N 2 1 370.512 4.280 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000432801627 1092426335 /nfs/dbraw/zinc/42/63/35/1092426335.db2.gz XGAUHZOVPPQOAR-HXUWFJFHSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000432801627 1092426345 /nfs/dbraw/zinc/42/63/45/1092426345.db2.gz XGAUHZOVPPQOAR-HXUWFJFHSA-N 2 1 356.485 4.321 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000236829119 1092427783 /nfs/dbraw/zinc/42/77/83/1092427783.db2.gz RCRBOGDGHRJLET-FQEVSTJZSA-N 2 1 362.477 4.083 20 0 FIADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000521043698 1092442969 /nfs/dbraw/zinc/44/29/69/1092442969.db2.gz HSCYQSIVNPZOHM-SIKLNZKXSA-N 2 1 374.532 4.076 20 0 FIADMP CCc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)o2)cc1 ZINC000521083544 1092465167 /nfs/dbraw/zinc/46/51/67/1092465167.db2.gz GJQHHYZBGNPRBS-KJXAQDMKSA-N 2 1 368.521 4.193 20 0 FIADMP CCc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)o2)cc1 ZINC000521083544 1092465178 /nfs/dbraw/zinc/46/51/78/1092465178.db2.gz GJQHHYZBGNPRBS-KJXAQDMKSA-N 2 1 368.521 4.193 20 0 FIADMP CCc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)o2)cc1 ZINC000521083546 1092465509 /nfs/dbraw/zinc/46/55/09/1092465509.db2.gz GJQHHYZBGNPRBS-XKCSPQBFSA-N 2 1 368.521 4.193 20 0 FIADMP CCc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)o2)cc1 ZINC000521083546 1092465515 /nfs/dbraw/zinc/46/55/15/1092465515.db2.gz GJQHHYZBGNPRBS-XKCSPQBFSA-N 2 1 368.521 4.193 20 0 FIADMP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000521372649 1092665888 /nfs/dbraw/zinc/66/58/88/1092665888.db2.gz DESUAZOAIRXVBC-GOSISDBHSA-N 2 1 374.573 4.303 20 0 FIADMP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000442709036 1092734657 /nfs/dbraw/zinc/73/46/57/1092734657.db2.gz MZVAONBPDSRHFM-YXJHDRRASA-N 2 1 352.444 4.415 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442790288 1092769505 /nfs/dbraw/zinc/76/95/05/1092769505.db2.gz LMGBPVAOOUVQFK-APWZRJJASA-N 2 1 370.459 4.042 20 0 FIADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000442871016 1092816514 /nfs/dbraw/zinc/81/65/14/1092816514.db2.gz FCTBYWMKVLCBRI-KRWDZBQOSA-N 2 1 358.357 4.060 20 0 FIADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000549818001 1092843975 /nfs/dbraw/zinc/84/39/75/1092843975.db2.gz KTUNHNHTOCXRII-KSEOMHKRSA-N 2 1 372.553 4.000 20 0 FIADMP COc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203439687 1092901944 /nfs/dbraw/zinc/90/19/44/1092901944.db2.gz UPBJJTIKDQYSTD-NHCUHLMSSA-N 2 1 350.506 4.039 20 0 FIADMP COc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203439687 1092901946 /nfs/dbraw/zinc/90/19/46/1092901946.db2.gz UPBJJTIKDQYSTD-NHCUHLMSSA-N 2 1 350.506 4.039 20 0 FIADMP COc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203439687 1092901948 /nfs/dbraw/zinc/90/19/48/1092901948.db2.gz UPBJJTIKDQYSTD-NHCUHLMSSA-N 2 1 350.506 4.039 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CCCCC1 ZINC000521805614 1092923728 /nfs/dbraw/zinc/92/37/28/1092923728.db2.gz MMPKMTLFKHXNIN-UHFFFAOYSA-N 2 1 358.448 4.372 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CCCCC1 ZINC000521805614 1092923729 /nfs/dbraw/zinc/92/37/29/1092923729.db2.gz MMPKMTLFKHXNIN-UHFFFAOYSA-N 2 1 358.448 4.372 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C1 ZINC000521817454 1092936360 /nfs/dbraw/zinc/93/63/60/1092936360.db2.gz BVINXIUYOIMVBE-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C1 ZINC000521817454 1092936363 /nfs/dbraw/zinc/93/63/63/1092936363.db2.gz BVINXIUYOIMVBE-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C1 ZINC000521817454 1092936366 /nfs/dbraw/zinc/93/63/66/1092936366.db2.gz BVINXIUYOIMVBE-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP Cc1ccc(NC(=O)C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)cc1C ZINC000246242246 1092942551 /nfs/dbraw/zinc/94/25/51/1092942551.db2.gz GICPCLIEOXADKA-FPOVZHCZSA-N 2 1 369.553 4.019 20 0 FIADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000245687111 1092948290 /nfs/dbraw/zinc/94/82/90/1092948290.db2.gz JSNSZOWWXUAFAC-CIAFKFPVSA-N 2 1 370.924 4.159 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C(C)(C)O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015140 1092950787 /nfs/dbraw/zinc/95/07/87/1092950787.db2.gz PCMHVAUQTFYKGM-MUWAIZJESA-N 2 1 358.570 4.347 20 0 FIADMP c1sc(CN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C1CC1 ZINC000512610963 1092988940 /nfs/dbraw/zinc/98/89/40/1092988940.db2.gz GQTPCBMLUAWHHH-UFYCRDLUSA-N 2 1 367.562 4.411 20 0 FIADMP COc1cccc(OC)c1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015902 1093052639 /nfs/dbraw/zinc/05/26/39/1093052639.db2.gz TXMKTWKUQAYQTN-OPVJXMOQSA-N 2 1 368.521 4.235 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000512646706 1093068173 /nfs/dbraw/zinc/06/81/73/1093068173.db2.gz CMDHHHLYKSADDA-PCCBWWKXSA-N 2 1 367.562 4.194 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759142327 1093074646 /nfs/dbraw/zinc/07/46/46/1093074646.db2.gz ARCKSNDGTJETIX-SFHVURJKSA-N 2 1 359.341 4.079 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759142326 1093075373 /nfs/dbraw/zinc/07/53/73/1093075373.db2.gz ARCKSNDGTJETIX-GOSISDBHSA-N 2 1 359.341 4.079 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512653318 1093079812 /nfs/dbraw/zinc/07/98/12/1093079812.db2.gz DOQNHDSYJJHESN-OYTPZHDJSA-N 2 1 370.581 4.208 20 0 FIADMP CC(C)c1noc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433055801 1093157387 /nfs/dbraw/zinc/15/73/87/1093157387.db2.gz ZPLRRCKCQJXWJA-SFHVURJKSA-N 2 1 368.525 4.242 20 0 FIADMP CC(C)c1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433055801 1093157390 /nfs/dbraw/zinc/15/73/90/1093157390.db2.gz ZPLRRCKCQJXWJA-SFHVURJKSA-N 2 1 368.525 4.242 20 0 FIADMP C[C@@H]1CC([NH2+][C@@H]2c3ccccc3CC[C@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018346 1093167595 /nfs/dbraw/zinc/16/75/95/1093167595.db2.gz CYYPDJYBYMFDCZ-MCJPXMOYSA-N 2 1 364.533 4.066 20 0 FIADMP C[C@@H]1C[C@@H](n2nc(CC[NH3+])c3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019822 1093191207 /nfs/dbraw/zinc/19/12/07/1093191207.db2.gz KFNLJQPSDLHWDM-OPVJXMOQSA-N 2 1 362.521 4.152 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1 ZINC000152243394 1093220918 /nfs/dbraw/zinc/22/09/18/1093220918.db2.gz FAFIDWFNZFRRLY-KRWDZBQOSA-N 2 1 357.461 4.217 20 0 FIADMP CCCc1nc(C)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000428283618 1093267240 /nfs/dbraw/zinc/26/72/40/1093267240.db2.gz BBEOLVBUMUHAQK-UHFFFAOYSA-N 2 1 356.514 4.069 20 0 FIADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000443646753 1093386742 /nfs/dbraw/zinc/38/67/42/1093386742.db2.gz WSEBJRDWUGSVEN-NFBKMPQASA-N 2 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646753 1093386751 /nfs/dbraw/zinc/38/67/51/1093386751.db2.gz WSEBJRDWUGSVEN-NFBKMPQASA-N 3 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646753 1093386763 /nfs/dbraw/zinc/38/67/63/1093386763.db2.gz WSEBJRDWUGSVEN-NFBKMPQASA-N 3 1 361.618 4.107 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000191513744 1093420880 /nfs/dbraw/zinc/42/08/80/1093420880.db2.gz PVFAXHGVTFMBTB-UHFFFAOYSA-N 2 1 352.482 4.321 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000191513744 1093420886 /nfs/dbraw/zinc/42/08/86/1093420886.db2.gz PVFAXHGVTFMBTB-UHFFFAOYSA-N 2 1 352.482 4.321 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167919297 1093435363 /nfs/dbraw/zinc/43/53/63/1093435363.db2.gz XQNUZABDZXOKSL-SMTGMISWSA-N 2 1 363.343 4.320 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000512841830 1093436665 /nfs/dbraw/zinc/43/66/65/1093436665.db2.gz UCFLGHGGSFLNGM-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000512841830 1093436666 /nfs/dbraw/zinc/43/66/66/1093436666.db2.gz UCFLGHGGSFLNGM-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Br)cc(F)c1F)CC2 ZINC001141805701 1093526749 /nfs/dbraw/zinc/52/67/49/1093526749.db2.gz YLBNHRBFFLDYAP-UHFFFAOYSA-N 2 1 373.285 4.035 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277635 1093646771 /nfs/dbraw/zinc/64/67/71/1093646771.db2.gz ZMRJFELGFMTCNY-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277635 1093646775 /nfs/dbraw/zinc/64/67/75/1093646775.db2.gz ZMRJFELGFMTCNY-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277635 1093646780 /nfs/dbraw/zinc/64/67/80/1093646780.db2.gz ZMRJFELGFMTCNY-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277635 1093646783 /nfs/dbraw/zinc/64/67/83/1093646783.db2.gz ZMRJFELGFMTCNY-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034192 1093743726 /nfs/dbraw/zinc/74/37/26/1093743726.db2.gz OMMNQCSQNOHQOV-OPVJXMOQSA-N 2 1 374.569 4.386 20 0 FIADMP CC[NH+](CC)CC1CCN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000509915605 1094025828 /nfs/dbraw/zinc/02/58/28/1094025828.db2.gz IPVUDAWACULHGC-UHFFFAOYSA-N 2 1 373.585 4.111 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000513350412 1094073468 /nfs/dbraw/zinc/07/34/68/1094073468.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350412 1094073472 /nfs/dbraw/zinc/07/34/72/1094073472.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350412 1094073479 /nfs/dbraw/zinc/07/34/79/1094073479.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350412 1094073485 /nfs/dbraw/zinc/07/34/85/1094073485.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 3 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350412 1094073492 /nfs/dbraw/zinc/07/34/92/1094073492.db2.gz HSWGNYLHCNHDKB-IRMYBRCSSA-N 3 1 369.597 4.282 20 0 FIADMP Cc1ccn2c(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cnc2c1 ZINC000513494348 1094162266 /nfs/dbraw/zinc/16/22/66/1094162266.db2.gz HONRAUYGRIUZEU-TZIWHRDSSA-N 2 1 362.521 4.033 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513487303 1094166150 /nfs/dbraw/zinc/16/61/50/1094166150.db2.gz BAHDJNXHDOFFOR-NQIIRXRSSA-N 2 1 362.521 4.033 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513500012 1094172747 /nfs/dbraw/zinc/17/27/47/1094172747.db2.gz KKGFZXOORXKSNV-AVRDEDQJSA-N 2 1 365.521 4.035 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000513526140 1094197921 /nfs/dbraw/zinc/19/79/21/1094197921.db2.gz NERJSXAQMBKYBI-HXUWFJFHSA-N 2 1 374.475 4.463 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000513667015 1094263732 /nfs/dbraw/zinc/26/37/32/1094263732.db2.gz PFTMIWSXYNXPLW-FSSWDIPSSA-N 2 1 369.553 4.168 20 0 FIADMP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001648965874 1094343317 /nfs/dbraw/zinc/34/33/17/1094343317.db2.gz VPJPQDXIYMFIJV-IBGZPJMESA-N 2 1 363.480 4.376 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000513697633 1094351803 /nfs/dbraw/zinc/35/18/03/1094351803.db2.gz PZKOCGDEBXPEFH-BVYCBKJFSA-N 2 1 353.485 4.001 20 0 FIADMP Fc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000513697633 1094351818 /nfs/dbraw/zinc/35/18/18/1094351818.db2.gz PZKOCGDEBXPEFH-BVYCBKJFSA-N 2 1 353.485 4.001 20 0 FIADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc2ccccc2c1 ZINC000501092175 1094501057 /nfs/dbraw/zinc/50/10/57/1094501057.db2.gz XREYIOKJILJYEW-UHFFFAOYSA-N 2 1 353.554 4.078 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501135534 1094523969 /nfs/dbraw/zinc/52/39/69/1094523969.db2.gz PKCQDAPGMWBBOE-QGZVFWFLSA-N 2 1 371.491 4.114 20 0 FIADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474723252 1094543401 /nfs/dbraw/zinc/54/34/01/1094543401.db2.gz PDJNVDSXHJVDQD-IAGOWNOFSA-N 2 1 350.934 4.067 20 0 FIADMP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000474823487 1094681428 /nfs/dbraw/zinc/68/14/28/1094681428.db2.gz UUNLSXZYEVHTTH-UHFFFAOYSA-N 2 1 363.505 4.337 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CCCC2)CC1 ZINC000501417603 1094696873 /nfs/dbraw/zinc/69/68/73/1094696873.db2.gz BMIPZVFNQNFEOB-PZJWPPBQSA-N 2 1 371.569 4.121 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389222013 1094700624 /nfs/dbraw/zinc/70/06/24/1094700624.db2.gz WSEUTXIJKFPMOL-CEWLAPEOSA-N 2 1 350.506 4.053 20 0 FIADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315027 1094877183 /nfs/dbraw/zinc/87/71/83/1094877183.db2.gz RKSPEYBYAUNEJJ-VGSWGCGISA-N 2 1 361.489 4.153 20 0 FIADMP Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1 ZINC000414452266 1094897609 /nfs/dbraw/zinc/89/76/09/1094897609.db2.gz PEKHNDOIFIVHRX-QNKZKCNHSA-N 2 1 370.928 4.142 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000501982842 1095035014 /nfs/dbraw/zinc/03/50/14/1095035014.db2.gz VYRUBZVJKBXKCM-RBZQAINGSA-N 2 1 369.597 4.061 20 0 FIADMP CCCc1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000428307262 1095040394 /nfs/dbraw/zinc/04/03/94/1095040394.db2.gz UAJVBMCLQNBFLS-UHFFFAOYSA-N 2 1 367.537 4.424 20 0 FIADMP COC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168046220 1095090871 /nfs/dbraw/zinc/09/08/71/1095090871.db2.gz MSVARUMGOWVZHR-GTWWNFFPSA-N 2 1 356.554 4.177 20 0 FIADMP COC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168046220 1095090887 /nfs/dbraw/zinc/09/08/87/1095090887.db2.gz MSVARUMGOWVZHR-GTWWNFFPSA-N 2 1 356.554 4.177 20 0 FIADMP COC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168046220 1095090902 /nfs/dbraw/zinc/09/09/02/1095090902.db2.gz MSVARUMGOWVZHR-GTWWNFFPSA-N 2 1 356.554 4.177 20 0 FIADMP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000420932847 1095172506 /nfs/dbraw/zinc/17/25/06/1095172506.db2.gz HQEXJGPVBYBZCL-UHFFFAOYSA-N 2 1 358.913 4.197 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCC ZINC000513733770 1095216771 /nfs/dbraw/zinc/21/67/71/1095216771.db2.gz WALWINKJDMNMSA-UHFFFAOYSA-N 2 1 368.949 4.301 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000502281370 1095303477 /nfs/dbraw/zinc/30/34/77/1095303477.db2.gz AEAKEYRLHBIELQ-RBUKOAKNSA-N 2 1 362.558 4.187 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cnn(C4CCCC4)c3)CC2)[nH+]c1 ZINC000502425107 1095462833 /nfs/dbraw/zinc/46/28/33/1095462833.db2.gz BPXSXRWIVUVPSN-QGZVFWFLSA-N 2 1 353.514 4.021 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318414 1095515640 /nfs/dbraw/zinc/51/56/40/1095515640.db2.gz FIHDOQSWURLXQQ-SFHVURJKSA-N 2 1 352.526 4.049 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318414 1095515654 /nfs/dbraw/zinc/51/56/54/1095515654.db2.gz FIHDOQSWURLXQQ-SFHVURJKSA-N 2 1 352.526 4.049 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502880586 1095917469 /nfs/dbraw/zinc/91/74/69/1095917469.db2.gz QGNXQXUKYHZHSL-QFBILLFUSA-N 2 1 350.934 4.087 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502880586 1095917474 /nfs/dbraw/zinc/91/74/74/1095917474.db2.gz QGNXQXUKYHZHSL-QFBILLFUSA-N 2 1 350.934 4.087 20 0 FIADMP COc1ccc(Cl)cc1C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000502880586 1095917479 /nfs/dbraw/zinc/91/74/79/1095917479.db2.gz QGNXQXUKYHZHSL-QFBILLFUSA-N 2 1 350.934 4.087 20 0 FIADMP COc1ccc(C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)c2ccc(OC)cc2)cc1 ZINC000503076958 1096054502 /nfs/dbraw/zinc/05/45/02/1096054502.db2.gz WOVQFOICAPMELG-OFNKIYASSA-N 2 1 368.521 4.062 20 0 FIADMP COc1ccc(Oc2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000414651680 1096343003 /nfs/dbraw/zinc/34/30/03/1096343003.db2.gz FTNGCYXPZJFTCC-DFNIBXOVSA-N 2 1 352.478 4.202 20 0 FIADMP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCC1)c1c[nH+]ccc1N ZINC000422746226 1096480899 /nfs/dbraw/zinc/48/08/99/1096480899.db2.gz ZCZBAUQMEGQFQK-ZDUSSCGKSA-N 2 1 360.299 4.029 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422888796 1096515088 /nfs/dbraw/zinc/51/50/88/1096515088.db2.gz NYEKAZOMVINLGR-QHAWAJNXSA-N 2 1 355.457 4.023 20 0 FIADMP CCOCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422892058 1096515910 /nfs/dbraw/zinc/51/59/10/1096515910.db2.gz XKYSUKHFENYHOI-RTWAWAEBSA-N 2 1 360.542 4.065 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000422903100 1096520638 /nfs/dbraw/zinc/52/06/38/1096520638.db2.gz ODJOVYMGCNHTNT-JBBXEZCESA-N 2 1 350.384 4.423 20 0 FIADMP Brc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422943469 1096534658 /nfs/dbraw/zinc/53/46/58/1096534658.db2.gz KIYXZQVDDRKYRS-OALUTQOASA-N 2 1 359.311 4.270 20 0 FIADMP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000423038170 1096557247 /nfs/dbraw/zinc/55/72/47/1096557247.db2.gz NXFZRJCTPVHPMS-JKOKRWQUSA-N 2 1 365.237 4.030 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423043648 1096558467 /nfs/dbraw/zinc/55/84/67/1096558467.db2.gz PKVOJNLYRYQHCA-FNAHDJPLSA-N 2 1 371.475 4.223 20 0 FIADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423097923 1096574458 /nfs/dbraw/zinc/57/44/58/1096574458.db2.gz RMZDRZSRGQKPDM-SJFSSXKUSA-N 2 1 362.439 4.500 20 0 FIADMP CCc1ccc([C@H](CN[C@@H](C)c2ccc(C[NH3+])nc2C)[NH+](CC)CC)cc1 ZINC000423121684 1096578931 /nfs/dbraw/zinc/57/89/31/1096578931.db2.gz BAPXNGWXRBXUCD-SBUREZEXSA-N 2 1 368.569 4.145 20 0 FIADMP CCc1ccc([C@@H](CN[C@@H](C)c2ccc(C[NH3+])nc2C)[NH+](CC)CC)cc1 ZINC000423121682 1096579373 /nfs/dbraw/zinc/57/93/73/1096579373.db2.gz BAPXNGWXRBXUCD-GAJHUEQPSA-N 2 1 368.569 4.145 20 0 FIADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423111248 1096584760 /nfs/dbraw/zinc/58/47/60/1096584760.db2.gz QKCAQONPRPWTKA-LYCSZFELSA-N 2 1 364.533 4.421 20 0 FIADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1F ZINC000423112689 1096586069 /nfs/dbraw/zinc/58/60/69/1096586069.db2.gz JZRZVCWJWGNFQO-VNYTWHDVSA-N 2 1 354.469 4.163 20 0 FIADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423173134 1096602726 /nfs/dbraw/zinc/60/27/26/1096602726.db2.gz XAZHKFIUQPAHQM-NWANDNLSSA-N 2 1 357.723 4.113 20 0 FIADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000423322791 1096643120 /nfs/dbraw/zinc/64/31/20/1096643120.db2.gz GZVFKPZAJJYLBF-XZHRWESNSA-N 2 1 372.553 4.001 20 0 FIADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc2cc(Br)ccc2o1 ZINC000423334256 1096649956 /nfs/dbraw/zinc/64/99/56/1096649956.db2.gz ICHKQWKTVZTSEK-SJKOYZFVSA-N 2 1 351.288 4.236 20 0 FIADMP CC1CC[NH+](CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)c2ccc(F)cc2)CC1 ZINC000423392993 1096664875 /nfs/dbraw/zinc/66/48/75/1096664875.db2.gz XZGCYOQZVXGOTK-COPCDDAFSA-N 3 1 361.549 4.109 20 0 FIADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414739239 1096668395 /nfs/dbraw/zinc/66/83/95/1096668395.db2.gz PXUZRDQLVRJUMJ-UONOGXRCSA-N 2 1 372.340 4.032 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423512609 1096710138 /nfs/dbraw/zinc/71/01/38/1096710138.db2.gz KUZSEGKCARKLLC-UONOGXRCSA-N 2 1 350.915 4.098 20 0 FIADMP CC(C)Sc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423519474 1096711878 /nfs/dbraw/zinc/71/18/78/1096711878.db2.gz PUXRYJYHWWBYTA-KKXNLOMOSA-N 2 1 361.599 4.054 20 0 FIADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1csc(Cl)c1 ZINC000423580736 1096725072 /nfs/dbraw/zinc/72/50/72/1096725072.db2.gz YHRXKMGYONSUNO-HNNXBMFYSA-N 2 1 363.958 4.046 20 0 FIADMP CCC[N@H+](C/C=C\c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060842 1098727131 /nfs/dbraw/zinc/72/71/31/1098727131.db2.gz VPJZBVYYISGAGI-FLIBITNWSA-N 2 1 364.537 4.488 20 0 FIADMP CCC[N@@H+](C/C=C\c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060842 1098727148 /nfs/dbraw/zinc/72/71/48/1098727148.db2.gz VPJZBVYYISGAGI-FLIBITNWSA-N 2 1 364.537 4.488 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275637 1098901600 /nfs/dbraw/zinc/90/16/00/1098901600.db2.gz PHTJUNMVTQKCAA-OAHLLOKOSA-N 2 1 372.563 4.202 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275637 1098901602 /nfs/dbraw/zinc/90/16/02/1098901602.db2.gz PHTJUNMVTQKCAA-OAHLLOKOSA-N 2 1 372.563 4.202 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436301833 1098915810 /nfs/dbraw/zinc/91/58/10/1098915810.db2.gz OTIHAPJGTIOWBH-IIBYNOLFSA-N 2 1 351.469 4.307 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436305672 1098918244 /nfs/dbraw/zinc/91/82/44/1098918244.db2.gz IYJKHWCDSNGXNL-QFIPXVFZSA-N 2 1 357.586 4.098 20 0 FIADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(Cl)c1 ZINC000533407765 1099029714 /nfs/dbraw/zinc/02/97/14/1099029714.db2.gz CQVHFBMBRMHBMS-MRXNPFEDSA-N 2 1 365.949 4.028 20 0 FIADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(Cl)c1 ZINC000533407765 1099029726 /nfs/dbraw/zinc/02/97/26/1099029726.db2.gz CQVHFBMBRMHBMS-MRXNPFEDSA-N 2 1 365.949 4.028 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cn2c1 ZINC000516098783 1099191317 /nfs/dbraw/zinc/19/13/17/1099191317.db2.gz YSWDSSKWIDKLLF-GOSISDBHSA-N 2 1 362.521 4.164 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cn2c1 ZINC000516098783 1099191325 /nfs/dbraw/zinc/19/13/25/1099191325.db2.gz YSWDSSKWIDKLLF-GOSISDBHSA-N 2 1 362.521 4.164 20 0 FIADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219091 1099273912 /nfs/dbraw/zinc/27/39/12/1099273912.db2.gz RHGZGBZEBDNFDO-VGSWGCGISA-N 2 1 368.521 4.352 20 0 FIADMP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219091 1099273918 /nfs/dbraw/zinc/27/39/18/1099273918.db2.gz RHGZGBZEBDNFDO-VGSWGCGISA-N 2 1 368.521 4.352 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000247932331 1099395238 /nfs/dbraw/zinc/39/52/38/1099395238.db2.gz CDWMAEUUGCCMLZ-DFXHWTJYSA-N 2 1 370.562 4.300 20 0 FIADMP Cc1csc([C@@H](C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000248744166 1099409507 /nfs/dbraw/zinc/40/95/07/1099409507.db2.gz ANYYVFYLBKDTOO-MVJPYGJCSA-N 2 1 355.551 4.340 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000161782269 1099536816 /nfs/dbraw/zinc/53/68/16/1099536816.db2.gz ULNOEQWMOQIRFB-INIZCTEOSA-N 2 1 358.555 4.286 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000437090290 1099594998 /nfs/dbraw/zinc/59/49/98/1099594998.db2.gz AGSNXTKBMJPFAI-SNJCGAMXSA-N 2 1 358.570 4.124 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261638623 1099629104 /nfs/dbraw/zinc/62/91/04/1099629104.db2.gz DHKNSHNXTHPJBN-QHCPKHFHSA-N 2 1 360.505 4.018 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3Cl)CC2)nc(C)[nH+]1 ZINC000162250238 1099657616 /nfs/dbraw/zinc/65/76/16/1099657616.db2.gz ONVXALQYNXJUMJ-ZDUSSCGKSA-N 2 1 362.880 4.206 20 0 FIADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccsc3)s2)C[C@H]1c1ccccc1 ZINC000261820731 1099662863 /nfs/dbraw/zinc/66/28/63/1099662863.db2.gz NJZJYMHRKXGSOK-AEFFLSMTSA-N 2 1 355.532 4.046 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](Cc3ccc(F)cc3)C(C)C)CC2)nc(C)[nH+]1 ZINC000162273040 1099671827 /nfs/dbraw/zinc/67/18/27/1099671827.db2.gz UDNQLVIKWSZXOI-NRFANRHFSA-N 2 1 370.516 4.058 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000508693237 1099827124 /nfs/dbraw/zinc/82/71/24/1099827124.db2.gz CPNJAKCBBLYOLJ-HKUYNNGSSA-N 2 1 357.567 4.309 20 0 FIADMP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714326 1099882339 /nfs/dbraw/zinc/88/23/39/1099882339.db2.gz GZLDRXFFPUILJB-GGPKGHCWSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@@H]([NH2+]CCCCN(C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715619 1099885075 /nfs/dbraw/zinc/88/50/75/1099885075.db2.gz DRVUWMFURVRBBB-FYYLOGMGSA-N 2 1 365.565 4.403 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709809 1099900552 /nfs/dbraw/zinc/90/05/52/1099900552.db2.gz JOMTZMFQRRLSSA-HYBUGGRVSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709809 1099900556 /nfs/dbraw/zinc/90/05/56/1099900556.db2.gz JOMTZMFQRRLSSA-HYBUGGRVSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709809 1099900560 /nfs/dbraw/zinc/90/05/60/1099900560.db2.gz JOMTZMFQRRLSSA-HYBUGGRVSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709809 1099900567 /nfs/dbraw/zinc/90/05/67/1099900567.db2.gz JOMTZMFQRRLSSA-HYBUGGRVSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709809 1099900570 /nfs/dbraw/zinc/90/05/70/1099900570.db2.gz JOMTZMFQRRLSSA-HYBUGGRVSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709809 1099900574 /nfs/dbraw/zinc/90/05/74/1099900574.db2.gz JOMTZMFQRRLSSA-HYBUGGRVSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709809 1099900577 /nfs/dbraw/zinc/90/05/77/1099900577.db2.gz JOMTZMFQRRLSSA-HYBUGGRVSA-N 2 1 365.565 4.139 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000508712289 1099904195 /nfs/dbraw/zinc/90/41/95/1099904195.db2.gz QLRNQJPADKUIMM-PQNGQFLHSA-N 2 1 366.549 4.340 20 0 FIADMP C[C@H]([NH2+]CCCCOc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721375 1099937454 /nfs/dbraw/zinc/93/74/54/1099937454.db2.gz PGLIQDTZLOHXOY-PZJWPPBQSA-N 2 1 370.512 4.485 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C)cc(C)c3)CC2)oc1C ZINC000162719683 1099973002 /nfs/dbraw/zinc/97/30/02/1099973002.db2.gz CWSSTTWUXJVHIJ-SFHVURJKSA-N 2 1 355.526 4.471 20 0 FIADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1cccc(OC)c1 ZINC000162732989 1099976759 /nfs/dbraw/zinc/97/67/59/1099976759.db2.gz YMXYVFOBLFOQDS-NRFANRHFSA-N 2 1 371.525 4.253 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000517057873 1100006803 /nfs/dbraw/zinc/00/68/03/1100006803.db2.gz XKCQMJFSUIISKW-UHFFFAOYSA-N 2 1 351.498 4.056 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000517057873 1100006811 /nfs/dbraw/zinc/00/68/11/1100006811.db2.gz XKCQMJFSUIISKW-UHFFFAOYSA-N 2 1 351.498 4.056 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CC(C(C)(C)C)C2)c1)C1CCOCC1 ZINC000459400466 1100107442 /nfs/dbraw/zinc/10/74/42/1100107442.db2.gz HTVLPTLZIUGZLQ-UHFFFAOYSA-N 2 1 374.569 4.091 20 0 FIADMP c1ccc(OCc2ccncc2)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000536660551 1100127660 /nfs/dbraw/zinc/12/76/60/1100127660.db2.gz LJGYLOFRXYIIGN-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(OCc2ccncc2)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000536660551 1100127679 /nfs/dbraw/zinc/12/76/79/1100127679.db2.gz LJGYLOFRXYIIGN-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1C(F)(F)F ZINC000459425723 1100158657 /nfs/dbraw/zinc/15/86/57/1100158657.db2.gz LUVKJDBTPMGOPM-MRXNPFEDSA-N 2 1 356.432 4.079 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000459448730 1100184604 /nfs/dbraw/zinc/18/46/04/1100184604.db2.gz SGLCYTUZHABYBW-AWEZNQCLSA-N 2 1 365.321 4.265 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459437970 1100193134 /nfs/dbraw/zinc/19/31/34/1100193134.db2.gz ZTYHTPVGJWIEHD-GFOJFJKKSA-N 2 1 362.583 4.035 20 0 FIADMP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(Cl)c1O ZINC000459462304 1100207431 /nfs/dbraw/zinc/20/74/31/1100207431.db2.gz KUFXOCMCFVMZIA-GDBMZVCRSA-N 2 1 366.933 4.187 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379642360 1100263308 /nfs/dbraw/zinc/26/33/08/1100263308.db2.gz DVJXLMHAHCOXRH-NFBKMPQASA-N 2 1 363.549 4.298 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379642360 1100263313 /nfs/dbraw/zinc/26/33/13/1100263313.db2.gz DVJXLMHAHCOXRH-NFBKMPQASA-N 2 1 363.549 4.298 20 0 FIADMP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)cc1 ZINC000536824973 1100341795 /nfs/dbraw/zinc/34/17/95/1100341795.db2.gz DZUYQYPSVRWLJS-IEBWSBKVSA-N 2 1 354.494 4.102 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000536831711 1100370477 /nfs/dbraw/zinc/37/04/77/1100370477.db2.gz IWQUORBOCHSAPT-OALUTQOASA-N 2 1 374.573 4.235 20 0 FIADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414921725 1100414787 /nfs/dbraw/zinc/41/47/87/1100414787.db2.gz FSJXSVRUUDUTNE-ZIAGYGMSSA-N 2 1 355.429 4.188 20 0 FIADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414921717 1100414851 /nfs/dbraw/zinc/41/48/51/1100414851.db2.gz FSJXSVRUUDUTNE-KGLIPLIRSA-N 2 1 355.429 4.188 20 0 FIADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414921847 1100416996 /nfs/dbraw/zinc/41/69/96/1100416996.db2.gz FAJSFYGOSPRUCQ-GMHONNGPSA-N 2 1 361.533 4.146 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000425951564 1100446288 /nfs/dbraw/zinc/44/62/88/1100446288.db2.gz QCXJNKYFOYGXPS-HBMCJLEFSA-N 2 1 355.913 4.235 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(Br)cc2)C1 ZINC000517536622 1100459044 /nfs/dbraw/zinc/45/90/44/1100459044.db2.gz UVDLWSNEMFZPGZ-IYBDPMFKSA-N 2 1 353.348 4.297 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000438188155 1100501406 /nfs/dbraw/zinc/50/14/06/1100501406.db2.gz IBMCZEORVHIQFD-HZPDHXFCSA-N 2 1 362.480 4.121 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218636 1100516300 /nfs/dbraw/zinc/51/63/00/1100516300.db2.gz VXCRERPKWVLTMU-QRVBRYPASA-N 2 1 372.475 4.407 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218636 1100516310 /nfs/dbraw/zinc/51/63/10/1100516310.db2.gz VXCRERPKWVLTMU-QRVBRYPASA-N 2 1 372.475 4.407 20 0 FIADMP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414925589 1100549011 /nfs/dbraw/zinc/54/90/11/1100549011.db2.gz JWSZCGIWMPMDIM-HSZRJFAPSA-N 2 1 367.512 4.082 20 0 FIADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000439006846 1101076495 /nfs/dbraw/zinc/07/64/95/1101076495.db2.gz TYXGAGUFAATRSV-MRXNPFEDSA-N 2 1 373.541 4.101 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOCCc2ccccc2)C1 ZINC000506474790 1101111094 /nfs/dbraw/zinc/11/10/94/1101111094.db2.gz PPFKYGICIASALG-JTHBVZDNSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000506474790 1101111098 /nfs/dbraw/zinc/11/10/98/1101111098.db2.gz PPFKYGICIASALG-JTHBVZDNSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000506474790 1101111104 /nfs/dbraw/zinc/11/11/04/1101111104.db2.gz PPFKYGICIASALG-JTHBVZDNSA-N 2 1 358.570 4.222 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426285909 1101181905 /nfs/dbraw/zinc/18/19/05/1101181905.db2.gz DMMVXMOXMLBLCB-KRWDZBQOSA-N 2 1 351.332 4.146 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439146595 1101200134 /nfs/dbraw/zinc/20/01/34/1101200134.db2.gz NFMPGTJANRFGIW-INIZCTEOSA-N 2 1 357.361 4.426 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000426300074 1101219341 /nfs/dbraw/zinc/21/93/41/1101219341.db2.gz BTXCSWDFIRUYMC-QFBILLFUSA-N 2 1 364.468 4.249 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426324062 1101271910 /nfs/dbraw/zinc/27/19/10/1101271910.db2.gz OYWOICCTJGIATH-QGZVFWFLSA-N 2 1 351.332 4.146 20 0 FIADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000459736657 1101365456 /nfs/dbraw/zinc/36/54/56/1101365456.db2.gz QGSDUIMIZSMAIZ-LJQANCHMSA-N 2 1 368.521 4.096 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000537014667 1101396019 /nfs/dbraw/zinc/39/60/19/1101396019.db2.gz WJARBFWHJIKNLO-OXJNMPFZSA-N 2 1 359.514 4.188 20 0 FIADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024563 1101402944 /nfs/dbraw/zinc/40/29/44/1101402944.db2.gz PVUUPHVVHNLJAW-NQIIRXRSSA-N 2 1 353.510 4.186 20 0 FIADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)o1 ZINC000537173845 1101518848 /nfs/dbraw/zinc/51/88/48/1101518848.db2.gz LJODFTBNIVITGY-NSISKUIASA-N 2 1 366.505 4.481 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000518763532 1101519298 /nfs/dbraw/zinc/51/92/98/1101519298.db2.gz UCCIDDZCUXABLI-AWEZNQCLSA-N 2 1 357.311 4.190 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)c1 ZINC000102425692 1101526719 /nfs/dbraw/zinc/52/67/19/1101526719.db2.gz SIKYQTXIJVMJGA-QGZVFWFLSA-N 2 1 354.519 4.026 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)c1 ZINC000102425692 1101526726 /nfs/dbraw/zinc/52/67/26/1101526726.db2.gz SIKYQTXIJVMJGA-QGZVFWFLSA-N 2 1 354.519 4.026 20 0 FIADMP CN(c1ccccc1C[N@@H+](C)[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000506652514 1101684893 /nfs/dbraw/zinc/68/48/93/1101684893.db2.gz GIPUHDGKMZIBDU-DEOSSOPVSA-N 2 1 363.549 4.336 20 0 FIADMP CC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000325409826 1101796221 /nfs/dbraw/zinc/79/62/21/1101796221.db2.gz STJGRTWPNJYXSU-UHFFFAOYSA-N 2 1 354.338 4.298 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168169951 1101876639 /nfs/dbraw/zinc/87/66/39/1101876639.db2.gz YWZAQVARRRCMAQ-MAODMQOUSA-N 2 1 357.929 4.438 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000398009208 1101959569 /nfs/dbraw/zinc/95/95/69/1101959569.db2.gz HVCUEGQRCSUXHM-FGSXEWAUSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398009208 1101959578 /nfs/dbraw/zinc/95/95/78/1101959578.db2.gz HVCUEGQRCSUXHM-FGSXEWAUSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398009208 1101959584 /nfs/dbraw/zinc/95/95/84/1101959584.db2.gz HVCUEGQRCSUXHM-FGSXEWAUSA-N 2 1 368.521 4.265 20 0 FIADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@@H](C)O1 ZINC000060368510 1101975626 /nfs/dbraw/zinc/97/56/26/1101975626.db2.gz BEWUJQOSNOYXKJ-HUUCEWRRSA-N 2 1 371.352 4.315 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C)c1 ZINC000519168602 1101983520 /nfs/dbraw/zinc/98/35/20/1101983520.db2.gz KTKIIAJAILBIIQ-PKTZIBPZSA-N 2 1 352.522 4.193 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000536870778 1102053841 /nfs/dbraw/zinc/05/38/41/1102053841.db2.gz QGZQRJIZORSALL-CXAGYDPISA-N 2 1 350.304 4.331 20 0 FIADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183381 1102084719 /nfs/dbraw/zinc/08/47/19/1102084719.db2.gz PYWVTJBANDYGPH-RXVVDRJESA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183381 1102084739 /nfs/dbraw/zinc/08/47/39/1102084739.db2.gz PYWVTJBANDYGPH-RXVVDRJESA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183381 1102084754 /nfs/dbraw/zinc/08/47/54/1102084754.db2.gz PYWVTJBANDYGPH-RXVVDRJESA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183381 1102084770 /nfs/dbraw/zinc/08/47/70/1102084770.db2.gz PYWVTJBANDYGPH-RXVVDRJESA-N 2 1 364.961 4.094 20 0 FIADMP Cc1ccc2c(ccc(C)c2C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC001168284805 1102158952 /nfs/dbraw/zinc/15/89/52/1102158952.db2.gz NUGWBBOJSAKTFP-WTIAFYNJSA-N 2 1 352.522 4.140 20 0 FIADMP Cc1ccc2c(ccc(C)c2C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC001168284801 1102159375 /nfs/dbraw/zinc/15/93/75/1102159375.db2.gz NUGWBBOJSAKTFP-AJSBUHFISA-N 2 1 352.522 4.140 20 0 FIADMP Cc1ccccc1CCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000440326828 1102199135 /nfs/dbraw/zinc/19/91/35/1102199135.db2.gz NORUTCCCHCRTEL-UHFFFAOYSA-N 2 1 371.613 4.056 20 0 FIADMP Cc1ccccc1CCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000440326828 1102199137 /nfs/dbraw/zinc/19/91/37/1102199137.db2.gz NORUTCCCHCRTEL-UHFFFAOYSA-N 3 1 371.613 4.056 20 0 FIADMP Cc1ccccc1CCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000440326828 1102199164 /nfs/dbraw/zinc/19/91/64/1102199164.db2.gz NORUTCCCHCRTEL-UHFFFAOYSA-N 3 1 371.613 4.056 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631298 1102250422 /nfs/dbraw/zinc/25/04/22/1102250422.db2.gz KOSHPAAEAXVNTE-QHCPKHFHSA-N 2 1 366.553 4.195 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631298 1102250434 /nfs/dbraw/zinc/25/04/34/1102250434.db2.gz KOSHPAAEAXVNTE-QHCPKHFHSA-N 2 1 366.553 4.195 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537631298 1102250443 /nfs/dbraw/zinc/25/04/43/1102250443.db2.gz KOSHPAAEAXVNTE-QHCPKHFHSA-N 2 1 366.553 4.195 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000537631298 1102250449 /nfs/dbraw/zinc/25/04/49/1102250449.db2.gz KOSHPAAEAXVNTE-QHCPKHFHSA-N 2 1 366.553 4.195 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3noc4ccccc43)C2)s1 ZINC000653665019 1102272090 /nfs/dbraw/zinc/27/20/90/1102272090.db2.gz KQFNHXJUPGSINR-QGZVFWFLSA-N 2 1 369.534 4.194 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3noc4ccccc43)C2)s1 ZINC000653665019 1102272102 /nfs/dbraw/zinc/27/21/02/1102272102.db2.gz KQFNHXJUPGSINR-QGZVFWFLSA-N 2 1 369.534 4.194 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3noc4ccccc43)C2)s1 ZINC000653665019 1102272113 /nfs/dbraw/zinc/27/21/13/1102272113.db2.gz KQFNHXJUPGSINR-QGZVFWFLSA-N 2 1 369.534 4.194 20 0 FIADMP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783431 1102295600 /nfs/dbraw/zinc/29/56/00/1102295600.db2.gz ZXDJQUTWBRFZLD-FCHUYYIVSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783431 1102295611 /nfs/dbraw/zinc/29/56/11/1102295611.db2.gz ZXDJQUTWBRFZLD-FCHUYYIVSA-N 2 1 360.505 4.012 20 0 FIADMP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969250 1102364913 /nfs/dbraw/zinc/36/49/13/1102364913.db2.gz AVFGZPBVHHZWGC-GLCCWIKHSA-N 2 1 354.538 4.149 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550818432 1102394506 /nfs/dbraw/zinc/39/45/06/1102394506.db2.gz AEMKNMXZMGIISP-IFMALSPDSA-N 2 1 350.506 4.152 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550818432 1102394519 /nfs/dbraw/zinc/39/45/19/1102394519.db2.gz AEMKNMXZMGIISP-IFMALSPDSA-N 2 1 350.506 4.152 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000550822209 1102406798 /nfs/dbraw/zinc/40/67/98/1102406798.db2.gz HFYPKWKOOZGFOR-MRCYXTNMSA-N 2 1 356.535 4.176 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000550822209 1102406800 /nfs/dbraw/zinc/40/68/00/1102406800.db2.gz HFYPKWKOOZGFOR-MRCYXTNMSA-N 2 1 356.535 4.176 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000532519195 1102451038 /nfs/dbraw/zinc/45/10/38/1102451038.db2.gz OPAHMLXRBRNYJW-BELGNNRLSA-N 2 1 367.415 4.067 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167973426 1102545179 /nfs/dbraw/zinc/54/51/79/1102545179.db2.gz KLXFZSWUTGRURT-IHWFROFDSA-N 2 1 350.506 4.343 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000122293828 1102547476 /nfs/dbraw/zinc/54/74/76/1102547476.db2.gz DGZZGWVGZKJYJG-BEVDRBHNSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000122293828 1102547480 /nfs/dbraw/zinc/54/74/80/1102547480.db2.gz DGZZGWVGZKJYJG-BEVDRBHNSA-N 2 1 354.485 4.143 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000122308781 1102562563 /nfs/dbraw/zinc/56/25/63/1102562563.db2.gz FGEKFTSUTJXJFX-CQSZACIVSA-N 2 1 350.865 4.270 20 0 FIADMP COCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000550861100 1102644532 /nfs/dbraw/zinc/64/45/32/1102644532.db2.gz WETNHCIGGUAJLC-BHIFYINESA-N 2 1 356.554 4.084 20 0 FIADMP C[NH+](C)C1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000192629842 1102742944 /nfs/dbraw/zinc/74/29/44/1102742944.db2.gz RDUGSDOHGWITTI-UHFFFAOYSA-N 2 1 372.557 4.009 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551004568 1102772480 /nfs/dbraw/zinc/77/24/80/1102772480.db2.gz BZGGFRQNIAGNPE-BJKOFHAPSA-N 3 1 365.565 4.454 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551004568 1102772495 /nfs/dbraw/zinc/77/24/95/1102772495.db2.gz BZGGFRQNIAGNPE-BJKOFHAPSA-N 3 1 365.565 4.454 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000551013471 1102789538 /nfs/dbraw/zinc/78/95/38/1102789538.db2.gz BYUFYGOVVRKVIV-ZEQRLZLVSA-N 2 1 365.565 4.452 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013471 1102789546 /nfs/dbraw/zinc/78/95/46/1102789546.db2.gz BYUFYGOVVRKVIV-ZEQRLZLVSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013471 1102789557 /nfs/dbraw/zinc/78/95/57/1102789557.db2.gz BYUFYGOVVRKVIV-ZEQRLZLVSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013471 1102789560 /nfs/dbraw/zinc/78/95/60/1102789560.db2.gz BYUFYGOVVRKVIV-ZEQRLZLVSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013471 1102789567 /nfs/dbraw/zinc/78/95/67/1102789567.db2.gz BYUFYGOVVRKVIV-ZEQRLZLVSA-N 3 1 365.565 4.452 20 0 FIADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOC(c3ccccc3)c3ccccc3)C2)C1 ZINC000550238343 1102803045 /nfs/dbraw/zinc/80/30/45/1102803045.db2.gz BIZWHSQATQLKRP-DEOSSOPVSA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)C1 ZINC000550238343 1102803053 /nfs/dbraw/zinc/80/30/53/1102803053.db2.gz BIZWHSQATQLKRP-DEOSSOPVSA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)C1 ZINC000550238343 1102803065 /nfs/dbraw/zinc/80/30/65/1102803065.db2.gz BIZWHSQATQLKRP-DEOSSOPVSA-N 2 1 364.533 4.210 20 0 FIADMP CN(C)c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032629 1102838142 /nfs/dbraw/zinc/83/81/42/1102838142.db2.gz WTBWVORRJVEVOC-OFNKIYASSA-N 2 1 374.532 4.226 20 0 FIADMP CN(C)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032629 1102838159 /nfs/dbraw/zinc/83/81/59/1102838159.db2.gz WTBWVORRJVEVOC-OFNKIYASSA-N 2 1 374.532 4.226 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758265 1102852132 /nfs/dbraw/zinc/85/21/32/1102852132.db2.gz VADBQGBXLSETSD-FUHWJXTLSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758265 1102852145 /nfs/dbraw/zinc/85/21/45/1102852145.db2.gz VADBQGBXLSETSD-FUHWJXTLSA-N 2 1 370.516 4.062 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551051577 1102864372 /nfs/dbraw/zinc/86/43/72/1102864372.db2.gz RFQSEFCPURWJIC-RBZQAINGSA-N 2 1 363.549 4.076 20 0 FIADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551051577 1102864383 /nfs/dbraw/zinc/86/43/83/1102864383.db2.gz RFQSEFCPURWJIC-RBZQAINGSA-N 2 1 363.549 4.076 20 0 FIADMP CC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550271477 1102905905 /nfs/dbraw/zinc/90/59/05/1102905905.db2.gz SYAKOCGNLJJOOD-IRQNMHNUSA-N 2 1 356.554 4.084 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000536626285 1102933178 /nfs/dbraw/zinc/93/31/78/1102933178.db2.gz WUPLGZZKPAXHPY-DOXZYTNZSA-N 2 1 356.913 4.267 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000536626285 1102933184 /nfs/dbraw/zinc/93/31/84/1102933184.db2.gz WUPLGZZKPAXHPY-DOXZYTNZSA-N 2 1 356.913 4.267 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000537696097 1102956031 /nfs/dbraw/zinc/95/60/31/1102956031.db2.gz DFEKWYXMBJZPNG-UCNVEGJOSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000537696097 1102956036 /nfs/dbraw/zinc/95/60/36/1102956036.db2.gz DFEKWYXMBJZPNG-UCNVEGJOSA-N 2 1 372.484 4.078 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697477 1102977611 /nfs/dbraw/zinc/97/76/11/1102977611.db2.gz RTGKFDRUFLABQU-CRAIPNDOSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000537697477 1102977615 /nfs/dbraw/zinc/97/76/15/1102977615.db2.gz RTGKFDRUFLABQU-CRAIPNDOSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000537697477 1102977618 /nfs/dbraw/zinc/97/76/18/1102977618.db2.gz RTGKFDRUFLABQU-CRAIPNDOSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000537697477 1102977620 /nfs/dbraw/zinc/97/76/20/1102977620.db2.gz RTGKFDRUFLABQU-CRAIPNDOSA-N 2 1 354.416 4.034 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265307 1103025958 /nfs/dbraw/zinc/02/59/58/1103025958.db2.gz SRJUMNYDZMWURH-FPOVZHCZSA-N 2 1 368.521 4.167 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265307 1103025975 /nfs/dbraw/zinc/02/59/75/1103025975.db2.gz SRJUMNYDZMWURH-FPOVZHCZSA-N 2 1 368.521 4.167 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1cn2ccccc2n1 ZINC000551268307 1103031746 /nfs/dbraw/zinc/03/17/46/1103031746.db2.gz VGMFIZBYFWXEIR-LJQANCHMSA-N 2 1 362.521 4.417 20 0 FIADMP O=C(c1ccc(F)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984369 1103037184 /nfs/dbraw/zinc/03/71/84/1103037184.db2.gz NSWYESBMPAZWLP-CBQGHPETSA-N 2 1 370.512 4.126 20 0 FIADMP O=C(c1ccc(F)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984369 1103037202 /nfs/dbraw/zinc/03/72/02/1103037202.db2.gz NSWYESBMPAZWLP-CBQGHPETSA-N 2 1 370.512 4.126 20 0 FIADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000551279327 1103038981 /nfs/dbraw/zinc/03/89/81/1103038981.db2.gz FGJNUWNERSXYNN-RTBURBONSA-N 2 1 371.569 4.315 20 0 FIADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000551279327 1103038995 /nfs/dbraw/zinc/03/89/95/1103038995.db2.gz FGJNUWNERSXYNN-RTBURBONSA-N 2 1 371.569 4.315 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncc1F ZINC000551286839 1103046009 /nfs/dbraw/zinc/04/60/09/1103046009.db2.gz MXGZFHFJDWYGBS-INIZCTEOSA-N 2 1 353.441 4.297 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncc1F ZINC000551286840 1103046147 /nfs/dbraw/zinc/04/61/47/1103046147.db2.gz MXGZFHFJDWYGBS-MRXNPFEDSA-N 2 1 353.441 4.297 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000551308031 1103081788 /nfs/dbraw/zinc/08/17/88/1103081788.db2.gz IXAYOYLBMIRMCB-ZKMFCFPVSA-N 3 1 371.613 4.387 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000551308031 1103081804 /nfs/dbraw/zinc/08/18/04/1103081804.db2.gz IXAYOYLBMIRMCB-ZKMFCFPVSA-N 3 1 371.613 4.387 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000551308031 1103081820 /nfs/dbraw/zinc/08/18/20/1103081820.db2.gz IXAYOYLBMIRMCB-ZKMFCFPVSA-N 3 1 371.613 4.387 20 0 FIADMP Clc1ccccc1C1CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000509670406 1103140090 /nfs/dbraw/zinc/14/00/90/1103140090.db2.gz JKQSIAFZRUWJAN-UHFFFAOYSA-N 2 1 370.924 4.208 20 0 FIADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245652433 1103310714 /nfs/dbraw/zinc/31/07/14/1103310714.db2.gz CSYDHKLPYCEYCN-HUJKARHJSA-N 2 1 353.510 4.008 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000551519162 1103310869 /nfs/dbraw/zinc/31/08/69/1103310869.db2.gz AIAVJHCMPLHDNC-KKUMJFAQSA-N 2 1 351.922 4.047 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000551519162 1103310888 /nfs/dbraw/zinc/31/08/88/1103310888.db2.gz AIAVJHCMPLHDNC-KKUMJFAQSA-N 2 1 351.922 4.047 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000551571619 1103378823 /nfs/dbraw/zinc/37/88/23/1103378823.db2.gz NOCGDPSPOXYFGA-LJQANCHMSA-N 2 1 370.459 4.247 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(C)o1 ZINC000507452910 1103398876 /nfs/dbraw/zinc/39/88/76/1103398876.db2.gz YPDGBRPHSZQEMA-CBPXPLCBSA-N 2 1 368.521 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(C)o1 ZINC000507452910 1103398892 /nfs/dbraw/zinc/39/88/92/1103398892.db2.gz YPDGBRPHSZQEMA-CBPXPLCBSA-N 2 1 368.521 4.166 20 0 FIADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000507470840 1103417693 /nfs/dbraw/zinc/41/76/93/1103417693.db2.gz NXJLELMOVWEUMG-OTWHNJEPSA-N 2 1 367.537 4.104 20 0 FIADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000507470838 1103417986 /nfs/dbraw/zinc/41/79/86/1103417986.db2.gz NXJLELMOVWEUMG-CEXWTWQISA-N 2 1 367.537 4.104 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000507484028 1103431601 /nfs/dbraw/zinc/43/16/01/1103431601.db2.gz IRXKAQYCTOCPCH-BVAFDOMYSA-N 2 1 356.554 4.080 20 0 FIADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000551779175 1103627161 /nfs/dbraw/zinc/62/71/61/1103627161.db2.gz RJQALZFIFKYGJI-FOZDKVSISA-N 2 1 364.533 4.299 20 0 FIADMP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000551798473 1103674912 /nfs/dbraw/zinc/67/49/12/1103674912.db2.gz YQSKJDGGFQLJPH-CCKFTAQKSA-N 2 1 352.444 4.415 20 0 FIADMP Cc1ccc(N2CCC([NH2+]CCCCCOc3ccccc3)CC2)[nH+]c1 ZINC000188023455 1103752782 /nfs/dbraw/zinc/75/27/82/1103752782.db2.gz DZHMOQIBYAJZJF-UHFFFAOYSA-N 2 1 353.510 4.198 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519816570 1103881721 /nfs/dbraw/zinc/88/17/21/1103881721.db2.gz OSNZGBJQDLKMQI-TZIWHRDSSA-N 2 1 351.538 4.168 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000520204782 1104171055 /nfs/dbraw/zinc/17/10/55/1104171055.db2.gz HJJYIFROYASYFP-FQEVSTJZSA-N 2 1 367.537 4.405 20 0 FIADMP C(OC1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2)C1CC1 ZINC001167993756 1104462300 /nfs/dbraw/zinc/46/23/00/1104462300.db2.gz RFZADYIPHYOBRX-WCRBZPEASA-N 2 1 358.570 4.063 20 0 FIADMP CC[NH2+]Cc1cccc(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)c1 ZINC000123405527 1104471864 /nfs/dbraw/zinc/47/18/64/1104471864.db2.gz QRNYEPZPZSZQEL-UHFFFAOYSA-N 2 1 353.510 4.279 20 0 FIADMP Fc1ccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995127 1104486492 /nfs/dbraw/zinc/48/64/92/1104486492.db2.gz XDHKHRWCWVAYTK-AIZNXBIQSA-N 2 1 356.529 4.486 20 0 FIADMP c1ccc(CO[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167994249 1104491728 /nfs/dbraw/zinc/49/17/28/1104491728.db2.gz AGJCTDIGVFLTJB-HNTVYWHESA-N 2 1 354.538 4.073 20 0 FIADMP c1ccc(CO[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167994249 1104491735 /nfs/dbraw/zinc/49/17/35/1104491735.db2.gz AGJCTDIGVFLTJB-HNTVYWHESA-N 2 1 354.538 4.073 20 0 FIADMP c1ccc(CO[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167994249 1104491740 /nfs/dbraw/zinc/49/17/40/1104491740.db2.gz AGJCTDIGVFLTJB-HNTVYWHESA-N 2 1 354.538 4.073 20 0 FIADMP Cc1ccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995841 1104568448 /nfs/dbraw/zinc/56/84/48/1104568448.db2.gz RTHQXSZUVDRKLF-MXHMCPQYSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1ccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167995841 1104568457 /nfs/dbraw/zinc/56/84/57/1104568457.db2.gz RTHQXSZUVDRKLF-MXHMCPQYSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1ccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995841 1104568466 /nfs/dbraw/zinc/56/84/66/1104568466.db2.gz RTHQXSZUVDRKLF-MXHMCPQYSA-N 2 1 354.538 4.244 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000536303883 1104635661 /nfs/dbraw/zinc/63/56/61/1104635661.db2.gz HXJCLXRCAGRAPQ-INIZCTEOSA-N 2 1 357.723 4.164 20 0 FIADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000189189413 1104785371 /nfs/dbraw/zinc/78/53/71/1104785371.db2.gz XVZASZKVONEDOQ-VXKWHMMOSA-N 2 1 356.554 4.023 20 0 FIADMP COc1cccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168001390 1104927204 /nfs/dbraw/zinc/92/72/04/1104927204.db2.gz BHVKLGXXOBDPPE-CBQGHPETSA-N 2 1 354.538 4.280 20 0 FIADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3nc4c(s3)CCC4)cc2)CC1 ZINC000093054485 1104945694 /nfs/dbraw/zinc/94/56/94/1104945694.db2.gz FPDCCDABDHRJSE-UHFFFAOYSA-N 2 1 355.551 4.154 20 0 FIADMP CN(C)c1ccccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000441516025 1104965724 /nfs/dbraw/zinc/96/57/24/1104965724.db2.gz XLCZHWCZVHSWJF-UHFFFAOYSA-N 2 1 351.538 4.097 20 0 FIADMP Fc1ccc(S[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168004174 1105023827 /nfs/dbraw/zinc/02/38/27/1105023827.db2.gz RLQRPERUWALOGF-VHRCFOOQSA-N 2 1 360.542 4.398 20 0 FIADMP Fc1ccc(S[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168004174 1105023833 /nfs/dbraw/zinc/02/38/33/1105023833.db2.gz RLQRPERUWALOGF-VHRCFOOQSA-N 2 1 360.542 4.398 20 0 FIADMP Fc1ccc(S[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168004174 1105023836 /nfs/dbraw/zinc/02/38/36/1105023836.db2.gz RLQRPERUWALOGF-VHRCFOOQSA-N 2 1 360.542 4.398 20 0 FIADMP COc1ccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168004224 1105028341 /nfs/dbraw/zinc/02/83/41/1105028341.db2.gz RRGSYKYVSLLVTF-SSWODZADSA-N 2 1 368.565 4.355 20 0 FIADMP COc1ccc(C[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168004224 1105028344 /nfs/dbraw/zinc/02/83/44/1105028344.db2.gz RRGSYKYVSLLVTF-SSWODZADSA-N 2 1 368.565 4.355 20 0 FIADMP COc1ccc(C[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168004224 1105028346 /nfs/dbraw/zinc/02/83/46/1105028346.db2.gz RRGSYKYVSLLVTF-SSWODZADSA-N 2 1 368.565 4.355 20 0 FIADMP C[N@@H+](CCSc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441614499 1105030883 /nfs/dbraw/zinc/03/08/83/1105030883.db2.gz PWLNABHBXQSASE-LJQANCHMSA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441614499 1105030891 /nfs/dbraw/zinc/03/08/91/1105030891.db2.gz PWLNABHBXQSASE-LJQANCHMSA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441614499 1105030897 /nfs/dbraw/zinc/03/08/97/1105030897.db2.gz PWLNABHBXQSASE-LJQANCHMSA-N 2 1 358.526 4.372 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(CNCc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000152378762 1105059692 /nfs/dbraw/zinc/05/96/92/1105059692.db2.gz VAUUBJJVCUWLNK-INIZCTEOSA-N 2 1 357.567 4.398 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000152378762 1105059696 /nfs/dbraw/zinc/05/96/96/1105059696.db2.gz VAUUBJJVCUWLNK-INIZCTEOSA-N 2 1 357.567 4.398 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000152378762 1105059701 /nfs/dbraw/zinc/05/97/01/1105059701.db2.gz VAUUBJJVCUWLNK-INIZCTEOSA-N 2 1 357.567 4.398 20 0 FIADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000152403706 1105086989 /nfs/dbraw/zinc/08/69/89/1105086989.db2.gz ASSJRXROJLXILO-XXBNENTESA-N 2 1 350.506 4.053 20 0 FIADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000152403605 1105087054 /nfs/dbraw/zinc/08/70/54/1105087054.db2.gz ASSJRXROJLXILO-WMZHIEFXSA-N 2 1 350.506 4.053 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152415469 1105105336 /nfs/dbraw/zinc/10/53/36/1105105336.db2.gz UUNSJICMJIERPT-LRDDRELGSA-N 2 1 355.309 4.281 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152415469 1105105344 /nfs/dbraw/zinc/10/53/44/1105105344.db2.gz UUNSJICMJIERPT-LRDDRELGSA-N 2 1 355.309 4.281 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623182 1105130035 /nfs/dbraw/zinc/13/00/35/1105130035.db2.gz VLAIVPYVCRTNQZ-WMLDXEAASA-N 2 1 355.448 4.332 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623182 1105130039 /nfs/dbraw/zinc/13/00/39/1105130039.db2.gz VLAIVPYVCRTNQZ-WMLDXEAASA-N 2 1 355.448 4.332 20 0 FIADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000665193196 1105196910 /nfs/dbraw/zinc/19/69/10/1105196910.db2.gz QDELRDZDTJPSNZ-IBGZPJMESA-N 2 1 372.557 4.057 20 0 FIADMP CCC[NH+]1CC[C@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000665193196 1105196915 /nfs/dbraw/zinc/19/69/15/1105196915.db2.gz QDELRDZDTJPSNZ-IBGZPJMESA-N 2 1 372.557 4.057 20 0 FIADMP CCC[NH+]1CC[C@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000665193196 1105196921 /nfs/dbraw/zinc/19/69/21/1105196921.db2.gz QDELRDZDTJPSNZ-IBGZPJMESA-N 2 1 372.557 4.057 20 0 FIADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2Sc2ccc(Cl)cc2)CCO1 ZINC001204757544 1105198959 /nfs/dbraw/zinc/19/89/59/1105198959.db2.gz ZMNIMCVFAKHZFN-QGZVFWFLSA-N 2 1 362.926 4.041 20 0 FIADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2Sc2ccc(Cl)cc2)CCO1 ZINC001204757544 1105198963 /nfs/dbraw/zinc/19/89/63/1105198963.db2.gz ZMNIMCVFAKHZFN-QGZVFWFLSA-N 2 1 362.926 4.041 20 0 FIADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706339 1107330365 /nfs/dbraw/zinc/33/03/65/1107330365.db2.gz YBJODMWLRLZIRW-OAHLLOKOSA-N 2 1 371.435 4.100 20 0 FIADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706339 1107330381 /nfs/dbraw/zinc/33/03/81/1107330381.db2.gz YBJODMWLRLZIRW-OAHLLOKOSA-N 2 1 371.435 4.100 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152444151 1107652061 /nfs/dbraw/zinc/65/20/61/1107652061.db2.gz LYQDGBCZYMSWEW-YJBOKZPZSA-N 2 1 355.551 4.177 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152444151 1107652070 /nfs/dbraw/zinc/65/20/70/1107652070.db2.gz LYQDGBCZYMSWEW-YJBOKZPZSA-N 2 1 355.551 4.177 20 0 FIADMP CC[N@@H+](CCNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1)C1CC1 ZINC000102068467 1107940242 /nfs/dbraw/zinc/94/02/42/1107940242.db2.gz AFRAOTIIQQRLNI-UHFFFAOYSA-N 2 1 372.557 4.057 20 0 FIADMP CC[NH+](CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000102068467 1107940249 /nfs/dbraw/zinc/94/02/49/1107940249.db2.gz AFRAOTIIQQRLNI-UHFFFAOYSA-N 2 1 372.557 4.057 20 0 FIADMP CC[NH+](CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000102068467 1107940251 /nfs/dbraw/zinc/94/02/51/1107940251.db2.gz AFRAOTIIQQRLNI-UHFFFAOYSA-N 2 1 372.557 4.057 20 0 FIADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000531676955 1108066170 /nfs/dbraw/zinc/06/61/70/1108066170.db2.gz XEALASLKEBXQTO-MAUKXSAKSA-N 2 1 363.958 4.041 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccs2)cc1 ZINC000444667169 1108070724 /nfs/dbraw/zinc/07/07/24/1108070724.db2.gz SDTXGGDYACXNQV-AQNXPRMDSA-N 2 1 356.535 4.099 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000444680502 1108084008 /nfs/dbraw/zinc/08/40/08/1108084008.db2.gz FVYRNIVYDUWCQI-SFHVURJKSA-N 2 1 369.578 4.015 20 0 FIADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000531725774 1108098603 /nfs/dbraw/zinc/09/86/03/1108098603.db2.gz HITVRBMOXROEQA-QFIPXVFZSA-N 2 1 372.940 4.324 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCc3cccc(F)c3)CCCC2)CC1 ZINC000531720039 1108112172 /nfs/dbraw/zinc/11/21/72/1108112172.db2.gz FSQVRGWWMWWYQJ-GOSISDBHSA-N 2 1 362.533 4.160 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054943 1108131754 /nfs/dbraw/zinc/13/17/54/1108131754.db2.gz CYFVFIVZJYFFJE-MOPGFXCFSA-N 2 1 354.542 4.250 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2sccc21 ZINC000453101479 1108169764 /nfs/dbraw/zinc/16/97/64/1108169764.db2.gz YFIOUFINVYZKQV-UZLBHIALSA-N 2 1 356.535 4.309 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453102753 1108171729 /nfs/dbraw/zinc/17/17/29/1108171729.db2.gz BFEWLLLRWZAOKV-SJORKVTESA-N 2 1 350.466 4.366 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000453138504 1108213201 /nfs/dbraw/zinc/21/32/01/1108213201.db2.gz AFVIVGRUHJIDJM-JLMDMGSGSA-N 2 1 356.554 4.223 20 0 FIADMP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213538 1108284575 /nfs/dbraw/zinc/28/45/75/1108284575.db2.gz APFMPANFOGJRHN-DHIUTWEWSA-N 2 1 370.581 4.474 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H](NC3CC([NH+]4CCCCC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453220879 1108292186 /nfs/dbraw/zinc/29/21/86/1108292186.db2.gz PKMMWUFFTDZDES-LBAGWKCMSA-N 2 1 367.581 4.036 20 0 FIADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncn1 ZINC000453231307 1108303128 /nfs/dbraw/zinc/30/31/28/1108303128.db2.gz XTVHCCYALQEPPH-FQCOAQKJSA-N 2 1 370.928 4.395 20 0 FIADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453265155 1108338100 /nfs/dbraw/zinc/33/81/00/1108338100.db2.gz XHKSGOWZOVSTHT-OKYOBFRVSA-N 2 1 370.459 4.129 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289294 1108364592 /nfs/dbraw/zinc/36/45/92/1108364592.db2.gz LXRNINSGGLVCAE-XQUALCHDSA-N 2 1 364.533 4.029 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289291 1108365120 /nfs/dbraw/zinc/36/51/20/1108365120.db2.gz LXRNINSGGLVCAE-UEQSERJNSA-N 2 1 364.533 4.029 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH+]3CCC[C@@H]3C2)CCCCC1 ZINC000714226699 1108401005 /nfs/dbraw/zinc/40/10/05/1108401005.db2.gz OAWUAYHBLAJUKD-FCHUYYIVSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000714226699 1108401016 /nfs/dbraw/zinc/40/10/16/1108401016.db2.gz OAWUAYHBLAJUKD-FCHUYYIVSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000714226699 1108401023 /nfs/dbraw/zinc/40/10/23/1108401023.db2.gz OAWUAYHBLAJUKD-FCHUYYIVSA-N 2 1 355.570 4.038 20 0 FIADMP CCc1ccc([C@H](C)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)o1 ZINC000453326748 1108418240 /nfs/dbraw/zinc/41/82/40/1108418240.db2.gz NVRWECICBOWELL-INIZCTEOSA-N 2 1 369.509 4.116 20 0 FIADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1cc(C)ccc1C ZINC000453375534 1108494145 /nfs/dbraw/zinc/49/41/45/1108494145.db2.gz XWANMRBJRIRIKQ-OHSMVPPVSA-N 2 1 352.526 4.073 20 0 FIADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cc(C)ccc1C ZINC000453375534 1108494151 /nfs/dbraw/zinc/49/41/51/1108494151.db2.gz XWANMRBJRIRIKQ-OHSMVPPVSA-N 2 1 352.526 4.073 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cc1 ZINC000531982894 1108501044 /nfs/dbraw/zinc/50/10/44/1108501044.db2.gz AZGHZESPCGIERX-JKSUJKDBSA-N 2 1 353.441 4.438 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1F ZINC000532207627 1108694502 /nfs/dbraw/zinc/69/45/02/1108694502.db2.gz YMQXPFSWIWDKPH-HXUWFJFHSA-N 2 1 367.493 4.440 20 0 FIADMP c1ccc([C@H](CC2CC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000532188751 1108698431 /nfs/dbraw/zinc/69/84/31/1108698431.db2.gz KACLXHBBTSBFOB-QHCPKHFHSA-N 2 1 350.506 4.150 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cn2)c1 ZINC000532202843 1108708427 /nfs/dbraw/zinc/70/84/27/1108708427.db2.gz SCPLPBZUYLKPKN-WSTZPKSXSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cn2)c1 ZINC000532202843 1108708439 /nfs/dbraw/zinc/70/84/39/1108708439.db2.gz SCPLPBZUYLKPKN-WSTZPKSXSA-N 2 1 353.510 4.309 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225248 1108723461 /nfs/dbraw/zinc/72/34/61/1108723461.db2.gz FNIJCKKMCYYFQK-PKOBYXMFSA-N 2 1 356.485 4.397 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000532234724 1108730166 /nfs/dbraw/zinc/73/01/66/1108730166.db2.gz KZFOOEQNFDNHPU-UXIGCNINSA-N 2 1 355.345 4.058 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000532234724 1108730173 /nfs/dbraw/zinc/73/01/73/1108730173.db2.gz KZFOOEQNFDNHPU-UXIGCNINSA-N 2 1 355.345 4.058 20 0 FIADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000525002627 1109227764 /nfs/dbraw/zinc/22/77/64/1109227764.db2.gz YXQUVEMAPJXHMI-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000525002627 1109227768 /nfs/dbraw/zinc/22/77/68/1109227768.db2.gz YXQUVEMAPJXHMI-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525002627 1109227772 /nfs/dbraw/zinc/22/77/72/1109227772.db2.gz YXQUVEMAPJXHMI-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000525267305 1109325236 /nfs/dbraw/zinc/32/52/36/1109325236.db2.gz NGQUMVROUFAXFK-WMZHIEFXSA-N 2 1 351.538 4.001 20 0 FIADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428463717 1109407249 /nfs/dbraw/zinc/40/72/49/1109407249.db2.gz PTQNLNLZXMGBPV-JKLQHZFJSA-N 2 1 358.570 4.064 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000525708990 1109488224 /nfs/dbraw/zinc/48/82/24/1109488224.db2.gz APKHJHHBYBCRQT-VQIMIIECSA-N 2 1 364.493 4.013 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000447563632 1109582961 /nfs/dbraw/zinc/58/29/61/1109582961.db2.gz RGFZIARSSUODCI-KRWDZBQOSA-N 2 1 370.493 4.149 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098398 1109691551 /nfs/dbraw/zinc/69/15/51/1109691551.db2.gz GKJDUSPKFQFHOW-MLGOLLRUSA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098398 1109691553 /nfs/dbraw/zinc/69/15/53/1109691553.db2.gz GKJDUSPKFQFHOW-MLGOLLRUSA-N 2 1 359.739 4.485 20 0 FIADMP Clc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H]21 ZINC000527749396 1109820831 /nfs/dbraw/zinc/82/08/31/1109820831.db2.gz KDGXWOQPAZVHDP-BHDDXSALSA-N 2 1 352.909 4.232 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527860045 1109841776 /nfs/dbraw/zinc/84/17/76/1109841776.db2.gz UPELRDYGKOFPJQ-QWRGUYRKSA-N 2 1 372.257 4.219 20 0 FIADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000527999382 1109881096 /nfs/dbraw/zinc/88/10/96/1109881096.db2.gz DHKQNNVBBKMIAC-FQEVSTJZSA-N 2 1 371.569 4.082 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000449070846 1109972594 /nfs/dbraw/zinc/97/25/94/1109972594.db2.gz LYPXSQAOUUFDFE-UHFFFAOYSA-N 2 1 359.558 4.414 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449082256 1109974807 /nfs/dbraw/zinc/97/48/07/1109974807.db2.gz LWULMNILMPENIN-LJQANCHMSA-N 2 1 367.537 4.054 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000449143863 1109984755 /nfs/dbraw/zinc/98/47/55/1109984755.db2.gz XXCJBXMDBNSNOS-UEXGIBASSA-N 2 1 358.526 4.090 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000449153945 1109986456 /nfs/dbraw/zinc/98/64/56/1109986456.db2.gz GNMOJBLVZCLFOX-WQJJYIMCSA-N 2 1 370.459 4.244 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000449153945 1109986457 /nfs/dbraw/zinc/98/64/57/1109986457.db2.gz GNMOJBLVZCLFOX-WQJJYIMCSA-N 2 1 370.459 4.244 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455991 1109994838 /nfs/dbraw/zinc/99/48/38/1109994838.db2.gz KWKCHVMSGWPGBY-YJBOKZPZSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455991 1109994839 /nfs/dbraw/zinc/99/48/39/1109994839.db2.gz KWKCHVMSGWPGBY-YJBOKZPZSA-N 2 1 363.427 4.101 20 0 FIADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000449220441 1109999758 /nfs/dbraw/zinc/99/97/58/1109999758.db2.gz QIRZCVSQOURPCJ-GOSISDBHSA-N 2 1 360.423 4.477 20 0 FIADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cc(F)cc(F)c1 ZINC000449265215 1110018863 /nfs/dbraw/zinc/01/88/63/1110018863.db2.gz RBHLVBWUPQITKK-WJPUGNRLSA-N 2 1 359.464 4.088 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343237 1110034530 /nfs/dbraw/zinc/03/45/30/1110034530.db2.gz IXGLJMWFHLZNFB-GOTSBHOMSA-N 2 1 370.581 4.474 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449402593 1110058633 /nfs/dbraw/zinc/05/86/33/1110058633.db2.gz RUEYPHOOSNMRFA-NVXWUHKLSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449402593 1110058638 /nfs/dbraw/zinc/05/86/38/1110058638.db2.gz RUEYPHOOSNMRFA-NVXWUHKLSA-N 2 1 363.427 4.101 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@](C)(Cc3ccccc3)C3CC3)sc2C1 ZINC000449776891 1110167601 /nfs/dbraw/zinc/16/76/01/1110167601.db2.gz PCAYXEMTUBGFFY-JOCHJYFZSA-N 2 1 369.578 4.411 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@](C)(Cc3ccccc3)C3CC3)sc2C1 ZINC000449776891 1110167604 /nfs/dbraw/zinc/16/76/04/1110167604.db2.gz PCAYXEMTUBGFFY-JOCHJYFZSA-N 2 1 369.578 4.411 20 0 FIADMP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000389946970 1110296277 /nfs/dbraw/zinc/29/62/77/1110296277.db2.gz QVKDUYPUJBYWFD-NRFANRHFSA-N 2 1 366.549 4.279 20 0 FIADMP COc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000450645361 1110322527 /nfs/dbraw/zinc/32/25/27/1110322527.db2.gz TXSLINDCQMFXFR-UHFFFAOYSA-N 2 1 359.901 4.092 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)C1 ZINC000538551253 1111189085 /nfs/dbraw/zinc/18/90/85/1111189085.db2.gz MIAYKJCQJAQJBI-VQIMIIECSA-N 2 1 356.510 4.037 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2C)CC1)CC1CC1 ZINC000538948904 1111356241 /nfs/dbraw/zinc/35/62/41/1111356241.db2.gz LHVDRMVFMGLSQU-UHFFFAOYSA-N 2 1 371.569 4.158 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000461794489 1111359091 /nfs/dbraw/zinc/35/90/91/1111359091.db2.gz GXSCATROTUREIH-QYZOEREBSA-N 2 1 365.359 4.377 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000539036621 1111397605 /nfs/dbraw/zinc/39/76/05/1111397605.db2.gz INYKZZYOGXCFJX-FYYLOGMGSA-N 2 1 350.506 4.018 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000539067999 1111416571 /nfs/dbraw/zinc/41/65/71/1111416571.db2.gz ZLLGRLDQCWAQCK-KRWDZBQOSA-N 2 1 356.485 4.254 20 0 FIADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000539068533 1111417511 /nfs/dbraw/zinc/41/75/11/1111417511.db2.gz UFERFJSMBDUAPK-BPAFIMBUSA-N 2 1 359.489 4.291 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)[C@H](C)C1 ZINC000539075833 1111420732 /nfs/dbraw/zinc/42/07/32/1111420732.db2.gz MPEIJHVRAPDZOP-AUSIDOKSSA-N 2 1 354.538 4.109 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000539090041 1111426827 /nfs/dbraw/zinc/42/68/27/1111426827.db2.gz YGHGQWVMJZZNRJ-BTYIYWSLSA-N 2 1 353.441 4.358 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)CC2)oc1C ZINC000539201618 1111470108 /nfs/dbraw/zinc/47/01/08/1111470108.db2.gz ICMYEXGLTGIBFO-JOCHJYFZSA-N 2 1 371.500 4.383 20 0 FIADMP CCN1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000462109291 1111500780 /nfs/dbraw/zinc/50/07/80/1111500780.db2.gz KMGJJKRYRSUJOP-UHFFFAOYSA-N 2 1 358.448 4.457 20 0 FIADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000462109291 1111500783 /nfs/dbraw/zinc/50/07/83/1111500783.db2.gz KMGJJKRYRSUJOP-UHFFFAOYSA-N 2 1 358.448 4.457 20 0 FIADMP CC[NH+]1CCC([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000462122246 1111505750 /nfs/dbraw/zinc/50/57/50/1111505750.db2.gz JZXDZERDYNBCKM-UHFFFAOYSA-N 2 1 351.705 4.100 20 0 FIADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000539367271 1111531776 /nfs/dbraw/zinc/53/17/76/1111531776.db2.gz ILDVPDPTTWUERP-NRFANRHFSA-N 2 1 365.565 4.289 20 0 FIADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c2)cc1 ZINC000552047584 1111556861 /nfs/dbraw/zinc/55/68/61/1111556861.db2.gz RFENYWWNEVJWJT-PWRODBHTSA-N 2 1 356.535 4.386 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000552067384 1111565119 /nfs/dbraw/zinc/56/51/19/1111565119.db2.gz IGUTUHUGTUSKFG-BBITVKMKSA-N 2 1 356.554 4.224 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000552085809 1111578598 /nfs/dbraw/zinc/57/85/98/1111578598.db2.gz NDPKMURICVKICG-HXUWFJFHSA-N 2 1 350.934 4.270 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000552085808 1111578932 /nfs/dbraw/zinc/57/89/32/1111578932.db2.gz NDPKMURICVKICG-FQEVSTJZSA-N 2 1 350.934 4.270 20 0 FIADMP CSCc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000552100521 1111585906 /nfs/dbraw/zinc/58/59/06/1111585906.db2.gz LFKDFFFHHVMVHS-UHFFFAOYSA-N 2 1 372.553 4.485 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000477920460 1111602209 /nfs/dbraw/zinc/60/22/09/1111602209.db2.gz YZGGXVKPSVUAKR-MRXNPFEDSA-N 2 1 358.505 4.092 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552338231 1111678878 /nfs/dbraw/zinc/67/88/78/1111678878.db2.gz BSSSJJRBSPYJSX-FGTMMUONSA-N 2 1 352.444 4.219 20 0 FIADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(Br)ccc21 ZINC000479352912 1111996748 /nfs/dbraw/zinc/99/67/48/1111996748.db2.gz RLOVTMXCBKMFKX-SFHVURJKSA-N 2 1 363.343 4.388 20 0 FIADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1OC(F)F ZINC000553538392 1111997142 /nfs/dbraw/zinc/99/71/42/1111997142.db2.gz XAUYXAAOPUGDDO-UHFFFAOYSA-N 2 1 368.468 4.183 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000479396244 1112012465 /nfs/dbraw/zinc/01/24/65/1112012465.db2.gz VBGADQANYJCDLY-HBMCJLEFSA-N 2 1 366.496 4.019 20 0 FIADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000553678503 1112049702 /nfs/dbraw/zinc/04/97/02/1112049702.db2.gz DXRBLFLKSRQGSP-HIFRSBDPSA-N 2 1 360.299 4.060 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000479541073 1112062824 /nfs/dbraw/zinc/06/28/24/1112062824.db2.gz HKZZCZNWVYNNEM-IUDNXUCKSA-N 2 1 367.331 4.125 20 0 FIADMP c1nc(-c2ccncc2)sc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000553876017 1112118357 /nfs/dbraw/zinc/11/83/57/1112118357.db2.gz IESVLYHLSCAPJF-UHFFFAOYSA-N 2 1 356.539 4.092 20 0 FIADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000479853710 1112162553 /nfs/dbraw/zinc/16/25/53/1112162553.db2.gz RFBBCNBAMLJAFB-CQSZACIVSA-N 2 1 357.361 4.163 20 0 FIADMP CCCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000479901863 1112182771 /nfs/dbraw/zinc/18/27/71/1112182771.db2.gz NFXVBCMHWUXVPR-LJQANCHMSA-N 2 1 352.522 4.322 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1OC(F)F ZINC000479920150 1112199407 /nfs/dbraw/zinc/19/94/07/1112199407.db2.gz ABTORPBBBRYAHR-LSDHHAIUSA-N 2 1 356.457 4.212 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1OC(F)F ZINC000479920150 1112199409 /nfs/dbraw/zinc/19/94/09/1112199409.db2.gz ABTORPBBBRYAHR-LSDHHAIUSA-N 2 1 356.457 4.212 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@@H](C)C1 ZINC000480190271 1112327602 /nfs/dbraw/zinc/32/76/02/1112327602.db2.gz AIROJJASDNFEBX-UNMCSNQZSA-N 2 1 358.570 4.225 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480391349 1112410611 /nfs/dbraw/zinc/41/06/11/1112410611.db2.gz XQYHALDSWUFJKL-ZJUUUORDSA-N 2 1 351.741 4.126 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480391347 1112410709 /nfs/dbraw/zinc/41/07/09/1112410709.db2.gz XQYHALDSWUFJKL-UWVGGRQHSA-N 2 1 351.741 4.126 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C)n1 ZINC000480630941 1112510251 /nfs/dbraw/zinc/51/02/51/1112510251.db2.gz LWEGIYYMBXELAB-IAGOWNOFSA-N 2 1 352.526 4.319 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635488 1112523378 /nfs/dbraw/zinc/52/33/78/1112523378.db2.gz AIJMLZTYJKSCJK-ZWKOTPCHSA-N 2 1 366.505 4.498 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C1 ZINC000480651836 1112529713 /nfs/dbraw/zinc/52/97/13/1112529713.db2.gz XCRXUOAEISCAIG-HXUWFJFHSA-N 2 1 374.532 4.394 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C1 ZINC000480651836 1112529717 /nfs/dbraw/zinc/52/97/17/1112529717.db2.gz XCRXUOAEISCAIG-HXUWFJFHSA-N 2 1 374.532 4.394 20 0 FIADMP Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000554858679 1112533428 /nfs/dbraw/zinc/53/34/28/1112533428.db2.gz UDBLIZNJJBUCAE-DNQXCXABSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000554858679 1112533431 /nfs/dbraw/zinc/53/34/31/1112533431.db2.gz UDBLIZNJJBUCAE-DNQXCXABSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554858679 1112533436 /nfs/dbraw/zinc/53/34/36/1112533436.db2.gz UDBLIZNJJBUCAE-DNQXCXABSA-N 2 1 363.549 4.309 20 0 FIADMP C[C@H]([NH2+]CCCNc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480694837 1112557796 /nfs/dbraw/zinc/55/77/96/1112557796.db2.gz QBWQHQVNMIPGHE-AZUAARDMSA-N 2 1 355.501 4.128 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000554893230 1112557974 /nfs/dbraw/zinc/55/79/74/1112557974.db2.gz OIPQFPUUQSVLNT-UEXGIBASSA-N 2 1 354.542 4.139 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000554893230 1112557980 /nfs/dbraw/zinc/55/79/80/1112557980.db2.gz OIPQFPUUQSVLNT-UEXGIBASSA-N 2 1 354.542 4.139 20 0 FIADMP Fc1cccc(C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccc(F)c2)c1 ZINC000480742153 1112580799 /nfs/dbraw/zinc/58/07/99/1112580799.db2.gz BLDKFABCCZHPOP-VGSWGCGISA-N 2 1 356.460 4.323 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554993508 1112605115 /nfs/dbraw/zinc/60/51/15/1112605115.db2.gz BZVQMSKNBJWLDF-CTNGQTDRSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554993508 1112605122 /nfs/dbraw/zinc/60/51/22/1112605122.db2.gz BZVQMSKNBJWLDF-CTNGQTDRSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc(F)c1F ZINC001143605386 1112613232 /nfs/dbraw/zinc/61/32/32/1112613232.db2.gz MVLCKTHSOPBQMH-UHFFFAOYSA-N 2 1 360.448 4.354 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC000480923476 1112676157 /nfs/dbraw/zinc/67/61/57/1112676157.db2.gz ZXSZTMVPPVSPGM-QFIPXVFZSA-N 2 1 371.956 4.328 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000481328596 1112901940 /nfs/dbraw/zinc/90/19/40/1112901940.db2.gz TXZHLMSERYZJTF-DLBZAZTESA-N 2 1 357.567 4.425 20 0 FIADMP COc1ccc(F)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000555549059 1112916288 /nfs/dbraw/zinc/91/62/88/1112916288.db2.gz PRZPCCKLCROSPU-IHWFROFDSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000555549059 1112916289 /nfs/dbraw/zinc/91/62/89/1112916289.db2.gz PRZPCCKLCROSPU-IHWFROFDSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000555549059 1112916291 /nfs/dbraw/zinc/91/62/91/1112916291.db2.gz PRZPCCKLCROSPU-IHWFROFDSA-N 2 1 354.469 4.120 20 0 FIADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000481555074 1112980196 /nfs/dbraw/zinc/98/01/96/1112980196.db2.gz CUSOUIJJYSKNHM-SEPYTNNBSA-N 2 1 368.496 4.070 20 0 FIADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000481555074 1112980199 /nfs/dbraw/zinc/98/01/99/1112980199.db2.gz CUSOUIJJYSKNHM-SEPYTNNBSA-N 2 1 368.496 4.070 20 0 FIADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481571362 1112985548 /nfs/dbraw/zinc/98/55/48/1112985548.db2.gz VYXGZVZSMZONMC-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481571362 1112985552 /nfs/dbraw/zinc/98/55/52/1112985552.db2.gz VYXGZVZSMZONMC-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000556051122 1113127117 /nfs/dbraw/zinc/12/71/17/1113127117.db2.gz BEKJHPRSKJUDGO-QUCCMNQESA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000556051122 1113127119 /nfs/dbraw/zinc/12/71/19/1113127119.db2.gz BEKJHPRSKJUDGO-QUCCMNQESA-N 2 1 360.448 4.256 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000556051121 1113127322 /nfs/dbraw/zinc/12/73/22/1113127322.db2.gz BEKJHPRSKJUDGO-ICSRJNTNSA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000556051121 1113127325 /nfs/dbraw/zinc/12/73/25/1113127325.db2.gz BEKJHPRSKJUDGO-ICSRJNTNSA-N 2 1 360.448 4.256 20 0 FIADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000481912895 1113130357 /nfs/dbraw/zinc/13/03/57/1113130357.db2.gz ZUVSHECCUVSKDZ-HSZRJFAPSA-N 2 1 364.533 4.421 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000481907039 1113134474 /nfs/dbraw/zinc/13/44/74/1113134474.db2.gz GTWJTLLOCXRRPQ-YLJYHZDGSA-N 2 1 357.567 4.309 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132456 1113178667 /nfs/dbraw/zinc/17/86/67/1113178667.db2.gz ZVGMHZYUGWJYHV-IAGOWNOFSA-N 2 1 356.535 4.341 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132456 1113178670 /nfs/dbraw/zinc/17/86/70/1113178670.db2.gz ZVGMHZYUGWJYHV-IAGOWNOFSA-N 2 1 356.535 4.341 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123225 1113181837 /nfs/dbraw/zinc/18/18/37/1113181837.db2.gz VGAFPJDQDZWOEU-URXFXBBRSA-N 2 1 366.549 4.484 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123225 1113181838 /nfs/dbraw/zinc/18/18/38/1113181838.db2.gz VGAFPJDQDZWOEU-URXFXBBRSA-N 2 1 366.549 4.484 20 0 FIADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629528565 1113194046 /nfs/dbraw/zinc/19/40/46/1113194046.db2.gz CJOSBWIVMIAZDB-GFCCVEGCSA-N 2 1 354.281 4.209 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC)ccc2Cl)c1 ZINC000482252033 1113210993 /nfs/dbraw/zinc/21/09/93/1113210993.db2.gz HTJPXQDBUUYEGC-UHFFFAOYSA-N 2 1 374.912 4.258 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456585 1113260584 /nfs/dbraw/zinc/26/05/84/1113260584.db2.gz ZKENXKZIHJKEOM-UGKGYDQZSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456585 1113260590 /nfs/dbraw/zinc/26/05/90/1113260590.db2.gz ZKENXKZIHJKEOM-UGKGYDQZSA-N 2 1 368.496 4.194 20 0 FIADMP COCC[N@@H+](C)CC[C@H](N[C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453641 1113263915 /nfs/dbraw/zinc/26/39/15/1113263915.db2.gz CGCAISJRRAVAOE-GOTSBHOMSA-N 2 1 352.522 4.282 20 0 FIADMP COCCN(C)CC[C@H]([NH2+][C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453641 1113263921 /nfs/dbraw/zinc/26/39/21/1113263921.db2.gz CGCAISJRRAVAOE-GOTSBHOMSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453641 1113263926 /nfs/dbraw/zinc/26/39/26/1113263926.db2.gz CGCAISJRRAVAOE-GOTSBHOMSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453641 1113263931 /nfs/dbraw/zinc/26/39/31/1113263931.db2.gz CGCAISJRRAVAOE-GOTSBHOMSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453356 1113264705 /nfs/dbraw/zinc/26/47/05/1113264705.db2.gz VFFMNLQTNAKZRZ-XZOQPEGZSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453356 1113264708 /nfs/dbraw/zinc/26/47/08/1113264708.db2.gz VFFMNLQTNAKZRZ-XZOQPEGZSA-N 2 1 352.522 4.282 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](Cc3cccc(C)c3)C3CC3)CCCC2)CC1 ZINC000482631918 1113314861 /nfs/dbraw/zinc/31/48/61/1113314861.db2.gz POPMTYGXIAXQGS-QHCPKHFHSA-N 2 1 370.581 4.329 20 0 FIADMP Fc1ccccc1-c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000171064583 1113354579 /nfs/dbraw/zinc/35/45/79/1113354579.db2.gz TVEWCOCVGMRHCH-UHFFFAOYSA-N 2 1 359.514 4.257 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1Cl ZINC000482876197 1113385958 /nfs/dbraw/zinc/38/59/58/1113385958.db2.gz UHZMHUDZEICRLT-CRAIPNDOSA-N 2 1 359.341 4.271 20 0 FIADMP c1c2ccncc2sc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146958 1113386019 /nfs/dbraw/zinc/38/60/19/1113386019.db2.gz VVBIGWSWDXOKPM-QFIPXVFZSA-N 2 1 363.530 4.394 20 0 FIADMP c1c2ccncc2sc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146958 1113386024 /nfs/dbraw/zinc/38/60/24/1113386024.db2.gz VVBIGWSWDXOKPM-QFIPXVFZSA-N 2 1 363.530 4.394 20 0 FIADMP c1c2ccncc2sc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668146958 1113386028 /nfs/dbraw/zinc/38/60/28/1113386028.db2.gz VVBIGWSWDXOKPM-QFIPXVFZSA-N 2 1 363.530 4.394 20 0 FIADMP c1c2ccncc2sc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668146958 1113386032 /nfs/dbraw/zinc/38/60/32/1113386032.db2.gz VVBIGWSWDXOKPM-QFIPXVFZSA-N 2 1 363.530 4.394 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000482881619 1113391471 /nfs/dbraw/zinc/39/14/71/1113391471.db2.gz DOMKANKAZLDCPM-ICSRJNTNSA-N 2 1 362.583 4.038 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000483175954 1113457939 /nfs/dbraw/zinc/45/79/39/1113457939.db2.gz IWWHXTJAIQPTCP-NZSAHSFTSA-N 2 1 370.459 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000483175954 1113457942 /nfs/dbraw/zinc/45/79/42/1113457942.db2.gz IWWHXTJAIQPTCP-NZSAHSFTSA-N 2 1 370.459 4.103 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000486080698 1113500480 /nfs/dbraw/zinc/50/04/80/1113500480.db2.gz LEVPPLUHSVUNRA-NEWSRXKRSA-N 2 1 372.475 4.059 20 0 FIADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489716 1113577435 /nfs/dbraw/zinc/57/74/35/1113577435.db2.gz OTAFVMHKPXCQQQ-VQIMIIECSA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489716 1113577438 /nfs/dbraw/zinc/57/74/38/1113577438.db2.gz OTAFVMHKPXCQQQ-VQIMIIECSA-N 2 1 358.913 4.349 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489870 1113577576 /nfs/dbraw/zinc/57/75/76/1113577576.db2.gz PFPCJMJRTUMCPP-WMZHIEFXSA-N 2 1 374.532 4.087 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486535281 1113591567 /nfs/dbraw/zinc/59/15/67/1113591567.db2.gz JBOBSMPTCQVGHJ-FXAWDEMLSA-N 2 1 374.475 4.331 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1sccc1Cl ZINC000486967423 1113685441 /nfs/dbraw/zinc/68/54/41/1113685441.db2.gz MNXBAMOKIITNFC-UHFFFAOYSA-N 2 1 352.931 4.412 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000488427650 1113927933 /nfs/dbraw/zinc/92/79/33/1113927933.db2.gz VINWYCPINMENKB-BQFCYCMXSA-N 2 1 352.613 4.470 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000488427650 1113927935 /nfs/dbraw/zinc/92/79/35/1113927935.db2.gz VINWYCPINMENKB-BQFCYCMXSA-N 2 1 352.613 4.470 20 0 FIADMP Fc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2ncccc12 ZINC000491062744 1114368620 /nfs/dbraw/zinc/36/86/20/1114368620.db2.gz SLIDTBQNYHLTBT-SFHVURJKSA-N 2 1 355.501 4.462 20 0 FIADMP Fc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2ncccc12 ZINC000491062744 1114368623 /nfs/dbraw/zinc/36/86/23/1114368623.db2.gz SLIDTBQNYHLTBT-SFHVURJKSA-N 2 1 355.501 4.462 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588708661 1114601328 /nfs/dbraw/zinc/60/13/28/1114601328.db2.gz BLTINWDAFLDWIS-IYBDPMFKSA-N 2 1 370.459 4.027 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000589640740 1114818875 /nfs/dbraw/zinc/81/88/75/1114818875.db2.gz OZHFLCCETZOEHE-SFHVURJKSA-N 2 1 362.521 4.238 20 0 FIADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168394758 1114849645 /nfs/dbraw/zinc/84/96/45/1114849645.db2.gz GEPNVTCWMNQUHU-CQSZACIVSA-N 2 1 351.332 4.316 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611275 1114952756 /nfs/dbraw/zinc/95/27/56/1114952756.db2.gz DXJYVBYPDMUPEP-VWNXMTODSA-N 2 1 359.517 4.406 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611275 1114952759 /nfs/dbraw/zinc/95/27/59/1114952759.db2.gz DXJYVBYPDMUPEP-VWNXMTODSA-N 2 1 359.517 4.406 20 0 FIADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787206 1114974298 /nfs/dbraw/zinc/97/42/98/1114974298.db2.gz UUDUHDBKHIWQKK-SFHVURJKSA-N 2 1 359.558 4.189 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000590786352 1114974498 /nfs/dbraw/zinc/97/44/98/1114974498.db2.gz SZBQGXVGQVLDAW-UHFFFAOYSA-N 2 1 358.448 4.136 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168401471 1115175155 /nfs/dbraw/zinc/17/51/55/1115175155.db2.gz WXAHNBUWDKXYGI-XXBNENTESA-N 2 1 352.497 4.185 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000574300778 1115344154 /nfs/dbraw/zinc/34/41/54/1115344154.db2.gz ZZOANDINQAWEEI-QZTJIDSGSA-N 2 1 370.516 4.083 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000574300780 1115344253 /nfs/dbraw/zinc/34/42/53/1115344253.db2.gz ZZOANDINQAWEEI-ZWKOTPCHSA-N 2 1 370.516 4.083 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000595008628 1115508104 /nfs/dbraw/zinc/50/81/04/1115508104.db2.gz PBCPSDNLRVZELH-ZWKOTPCHSA-N 2 1 360.542 4.170 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1)C(C)C ZINC000575045092 1115531181 /nfs/dbraw/zinc/53/11/81/1115531181.db2.gz PIIFHUPQAKEIDG-QFIPXVFZSA-N 2 1 367.537 4.127 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1)CC(C)C ZINC001168412711 1115709499 /nfs/dbraw/zinc/70/94/99/1115709499.db2.gz BTWPJKZRQMHSQA-OAQYLSRUSA-N 2 1 366.977 4.453 20 0 FIADMP COc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683863 1115782735 /nfs/dbraw/zinc/78/27/35/1115782735.db2.gz YTDFSULSLHMRBH-MJGOQNOKSA-N 2 1 356.485 4.225 20 0 FIADMP CC1([NH2+][C@H]2CCc3cc(F)ccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001168420450 1115907228 /nfs/dbraw/zinc/90/72/28/1115907228.db2.gz LDJIQZOQMDMYGC-QFIPXVFZSA-N 2 1 352.497 4.327 20 0 FIADMP CC1([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001168420449 1115907239 /nfs/dbraw/zinc/90/72/39/1115907239.db2.gz LDJIQZOQMDMYGC-JOCHJYFZSA-N 2 1 352.497 4.327 20 0 FIADMP Cn1nc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c2ccccc21 ZINC000608058608 1116082416 /nfs/dbraw/zinc/08/24/16/1116082416.db2.gz MLNYHXPJASIXOX-UHFFFAOYSA-N 2 1 374.488 4.088 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000608058518 1116082441 /nfs/dbraw/zinc/08/24/41/1116082441.db2.gz BGHUXFPCDCGWPU-UHFFFAOYSA-N 2 1 360.461 4.078 20 0 FIADMP COCC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000534219673 1116172549 /nfs/dbraw/zinc/17/25/49/1116172549.db2.gz AGOCOYYJZXUPQU-OAHLLOKOSA-N 2 1 369.431 4.310 20 0 FIADMP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000534219673 1116172551 /nfs/dbraw/zinc/17/25/51/1116172551.db2.gz AGOCOYYJZXUPQU-OAHLLOKOSA-N 2 1 369.431 4.310 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000509448695 1116198383 /nfs/dbraw/zinc/19/83/83/1116198383.db2.gz NTGUPELACXAHOP-HSZRJFAPSA-N 2 1 362.517 4.353 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000534496858 1116207748 /nfs/dbraw/zinc/20/77/48/1116207748.db2.gz INEFGZPHGHHSRU-GCJKJVERSA-N 2 1 370.562 4.086 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000534496858 1116207749 /nfs/dbraw/zinc/20/77/49/1116207749.db2.gz INEFGZPHGHHSRU-GCJKJVERSA-N 2 1 370.562 4.086 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000539819626 1116385101 /nfs/dbraw/zinc/38/51/01/1116385101.db2.gz NXXBEJFDHWZQLB-NQIIRXRSSA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000539819626 1116385103 /nfs/dbraw/zinc/38/51/03/1116385103.db2.gz NXXBEJFDHWZQLB-NQIIRXRSSA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000539819626 1116385104 /nfs/dbraw/zinc/38/51/04/1116385104.db2.gz NXXBEJFDHWZQLB-NQIIRXRSSA-N 2 1 353.510 4.344 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000539821203 1116385736 /nfs/dbraw/zinc/38/57/36/1116385736.db2.gz NFVUUFZRXZRLGC-QAPCUYQASA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000539821203 1116385737 /nfs/dbraw/zinc/38/57/37/1116385737.db2.gz NFVUUFZRXZRLGC-QAPCUYQASA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000539821203 1116385739 /nfs/dbraw/zinc/38/57/39/1116385739.db2.gz NFVUUFZRXZRLGC-QAPCUYQASA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000539821203 1116385741 /nfs/dbraw/zinc/38/57/41/1116385741.db2.gz NFVUUFZRXZRLGC-QAPCUYQASA-N 2 1 368.949 4.300 20 0 FIADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861527 1116391821 /nfs/dbraw/zinc/39/18/21/1116391821.db2.gz CWHQXKCDFYQUHR-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861527 1116391822 /nfs/dbraw/zinc/39/18/22/1116391822.db2.gz CWHQXKCDFYQUHR-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861527 1116391825 /nfs/dbraw/zinc/39/18/25/1116391825.db2.gz CWHQXKCDFYQUHR-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000462745235 1117749209 /nfs/dbraw/zinc/74/92/09/1117749209.db2.gz OVKPLBVGIOGZCJ-LJQANCHMSA-N 2 1 362.949 4.290 20 0 FIADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000462747962 1117750461 /nfs/dbraw/zinc/75/04/61/1117750461.db2.gz YTABBXQJDNXHSN-HXUWFJFHSA-N 2 1 357.586 4.141 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000462786876 1117771271 /nfs/dbraw/zinc/77/12/71/1117771271.db2.gz DKSLESZRRDVMMB-GOSISDBHSA-N 2 1 354.542 4.437 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000462788553 1117772811 /nfs/dbraw/zinc/77/28/11/1117772811.db2.gz OYBSJWCGVHJTPV-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000462802752 1117785687 /nfs/dbraw/zinc/78/56/87/1117785687.db2.gz ADSQYGJYRYGIMR-QXRTWZOPSA-N 2 1 351.332 4.015 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1)CC1CC1 ZINC000540046173 1117827762 /nfs/dbraw/zinc/82/77/62/1117827762.db2.gz DDOSMURMEBCMGU-LJQANCHMSA-N 2 1 371.569 4.156 20 0 FIADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887421 1117828454 /nfs/dbraw/zinc/82/84/54/1117828454.db2.gz JMABKFIZQDTIGG-IIBYNOLFSA-N 2 1 356.535 4.333 20 0 FIADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887421 1117828460 /nfs/dbraw/zinc/82/84/60/1117828460.db2.gz JMABKFIZQDTIGG-IIBYNOLFSA-N 2 1 356.535 4.333 20 0 FIADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC000540055242 1117844721 /nfs/dbraw/zinc/84/47/21/1117844721.db2.gz GKGKALHHKIRLGG-XLIONFOSSA-N 2 1 371.525 4.290 20 0 FIADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC000540055242 1117844730 /nfs/dbraw/zinc/84/47/30/1117844730.db2.gz GKGKALHHKIRLGG-XLIONFOSSA-N 2 1 371.525 4.290 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000540189334 1117921280 /nfs/dbraw/zinc/92/12/80/1117921280.db2.gz AUNCOPTVAXCOBO-QGZVFWFLSA-N 2 1 356.432 4.425 20 0 FIADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000540182837 1117924936 /nfs/dbraw/zinc/92/49/36/1117924936.db2.gz UBRPTUZZDQWHMR-FGZHOGPDSA-N 2 1 356.554 4.256 20 0 FIADMP COc1ccc(CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463075183 1117958213 /nfs/dbraw/zinc/95/82/13/1117958213.db2.gz MXIRSCIRAFUMKN-UHFFFAOYSA-N 2 1 370.512 4.064 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000463142194 1117980361 /nfs/dbraw/zinc/98/03/61/1117980361.db2.gz DWHFFMAMVBQIOO-ZWKOTPCHSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCCC[C@@H]1C ZINC000463142194 1117980363 /nfs/dbraw/zinc/98/03/63/1117980363.db2.gz DWHFFMAMVBQIOO-ZWKOTPCHSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463145409 1117982374 /nfs/dbraw/zinc/98/23/74/1117982374.db2.gz YGOMXRJBCSZDDK-GOSISDBHSA-N 2 1 363.977 4.159 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140395 1117987563 /nfs/dbraw/zinc/98/75/63/1117987563.db2.gz GYDWOYMLYLLRTL-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140395 1117987567 /nfs/dbraw/zinc/98/75/67/1117987567.db2.gz GYDWOYMLYLLRTL-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000463189269 1118017910 /nfs/dbraw/zinc/01/79/10/1118017910.db2.gz GQWCRMDZSKPPCA-JOCHJYFZSA-N 2 1 372.940 4.324 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCC4CCOCC4)[C@H]3C2)cc1 ZINC000463238334 1118046127 /nfs/dbraw/zinc/04/61/27/1118046127.db2.gz UJWRSKTVNQJGSC-VABKMULXSA-N 2 1 356.554 4.084 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCC4CCOCC4)[C@H]3C2)cc1 ZINC000463238333 1118046203 /nfs/dbraw/zinc/04/62/03/1118046203.db2.gz UJWRSKTVNQJGSC-RJGXRXQPSA-N 2 1 356.554 4.084 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000540912209 1118311734 /nfs/dbraw/zinc/31/17/34/1118311734.db2.gz HJNGQMWUFFPOHE-ZHRRBRCNSA-N 2 1 367.468 4.355 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000540990274 1118341413 /nfs/dbraw/zinc/34/14/13/1118341413.db2.gz KSWHPJCIUWZSDS-DENIHFKCSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000540990274 1118341416 /nfs/dbraw/zinc/34/14/16/1118341416.db2.gz KSWHPJCIUWZSDS-DENIHFKCSA-N 2 1 368.496 4.194 20 0 FIADMP CCC(CC)(CC)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000541234886 1118436320 /nfs/dbraw/zinc/43/63/20/1118436320.db2.gz RUHGPPZSZZERQX-UHFFFAOYSA-N 2 1 351.623 4.331 20 0 FIADMP CCC(CC)(CC)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000541234886 1118436322 /nfs/dbraw/zinc/43/63/22/1118436322.db2.gz RUHGPPZSZZERQX-UHFFFAOYSA-N 3 1 351.623 4.331 20 0 FIADMP CCC(CC)(CC)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000541234886 1118436323 /nfs/dbraw/zinc/43/63/23/1118436323.db2.gz RUHGPPZSZZERQX-UHFFFAOYSA-N 3 1 351.623 4.331 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546618 1118550913 /nfs/dbraw/zinc/55/09/13/1118550913.db2.gz FZFGZLBISVOCJG-PGRDOPGGSA-N 2 1 355.501 4.412 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000541553069 1118560713 /nfs/dbraw/zinc/56/07/13/1118560713.db2.gz YYBBRSBEUMSZCP-HMFYCAOWSA-N 2 1 370.516 4.053 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464773312 1118689302 /nfs/dbraw/zinc/68/93/02/1118689302.db2.gz IRSZRAHMWTTXNQ-NRFANRHFSA-N 2 1 366.549 4.456 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464773312 1118689303 /nfs/dbraw/zinc/68/93/03/1118689303.db2.gz IRSZRAHMWTTXNQ-NRFANRHFSA-N 2 1 366.549 4.456 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000464787612 1118695331 /nfs/dbraw/zinc/69/53/31/1118695331.db2.gz CPDWSPWCHCSPLY-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000464787612 1118695334 /nfs/dbraw/zinc/69/53/34/1118695334.db2.gz CPDWSPWCHCSPLY-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000464787612 1118695339 /nfs/dbraw/zinc/69/53/39/1118695339.db2.gz CPDWSPWCHCSPLY-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792854 1118700564 /nfs/dbraw/zinc/70/05/64/1118700564.db2.gz YORSMRUPOPWKMY-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792854 1118700566 /nfs/dbraw/zinc/70/05/66/1118700566.db2.gz YORSMRUPOPWKMY-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792854 1118700568 /nfs/dbraw/zinc/70/05/68/1118700568.db2.gz YORSMRUPOPWKMY-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792854 1118700573 /nfs/dbraw/zinc/70/05/73/1118700573.db2.gz YORSMRUPOPWKMY-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173867532 1119076721 /nfs/dbraw/zinc/07/67/21/1119076721.db2.gz ZKTZFIVUVOIKKK-HNNXBMFYSA-N 2 1 374.916 4.259 20 0 FIADMP C[C@H]([NH2+]CCCCOc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492404599 1119087891 /nfs/dbraw/zinc/08/78/91/1119087891.db2.gz ZNKKENJBTDWIKQ-RBBKRZOGSA-N 2 1 352.522 4.346 20 0 FIADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445910 1119175736 /nfs/dbraw/zinc/17/57/36/1119175736.db2.gz NALVNILEQFZZDH-HSZRJFAPSA-N 2 1 370.487 4.419 20 0 FIADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168445910 1119175737 /nfs/dbraw/zinc/17/57/37/1119175737.db2.gz NALVNILEQFZZDH-HSZRJFAPSA-N 2 1 370.487 4.419 20 0 FIADMP COCC[C@@H]1CCCC[NH+]([C@H](C)CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274297 1119289268 /nfs/dbraw/zinc/28/92/68/1119289268.db2.gz FZFZRSSFVHHXBJ-FSSWDIPSSA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@@H]1CCCC[NH+](CC[C@@H](C)[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274297 1119289271 /nfs/dbraw/zinc/28/92/71/1119289271.db2.gz FZFZRSSFVHHXBJ-FSSWDIPSSA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@@H]1CCCC[NH+](CC[C@@H](C)[N@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274297 1119289275 /nfs/dbraw/zinc/28/92/75/1119289275.db2.gz FZFZRSSFVHHXBJ-FSSWDIPSSA-N 2 1 368.606 4.042 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000542464853 1119339680 /nfs/dbraw/zinc/33/96/80/1119339680.db2.gz LYGFYHVOCKXAJJ-YCRPNKLZSA-N 2 1 350.441 4.298 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310778969 1119343580 /nfs/dbraw/zinc/34/35/80/1119343580.db2.gz BEHBVXXYBJYVSY-SJLPKXTDSA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310778969 1119343586 /nfs/dbraw/zinc/34/35/86/1119343586.db2.gz BEHBVXXYBJYVSY-SJLPKXTDSA-N 2 1 358.913 4.349 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817347 1119390659 /nfs/dbraw/zinc/39/06/59/1119390659.db2.gz PSSUEVXMTNUIIS-SJLPKXTDSA-N 2 1 360.448 4.461 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817347 1119390661 /nfs/dbraw/zinc/39/06/61/1119390661.db2.gz PSSUEVXMTNUIIS-SJLPKXTDSA-N 2 1 360.448 4.461 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000493934907 1119511534 /nfs/dbraw/zinc/51/15/34/1119511534.db2.gz GZIBMBSDYPZAJW-HLRQEUIKSA-N 2 1 354.538 4.108 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@H](C)C1 ZINC000542470607 1119511653 /nfs/dbraw/zinc/51/16/53/1119511653.db2.gz KTWJQSGJJOYIBD-DNVFCKCGSA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CCS[C@H](C)CC3)c2)CCS1 ZINC000494151958 1119547748 /nfs/dbraw/zinc/54/77/48/1119547748.db2.gz GMHCBNWHACVXLB-QZTJIDSGSA-N 2 1 364.624 4.341 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183199280 1119568444 /nfs/dbraw/zinc/56/84/44/1119568444.db2.gz PGCFDOKNDJNRLX-YQVWRLOYSA-N 2 1 358.526 4.152 20 0 FIADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183911730 1119588568 /nfs/dbraw/zinc/58/85/68/1119588568.db2.gz IWSQHQJBUGPJDY-PKTZIBPZSA-N 2 1 362.517 4.114 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000187007059 1119761081 /nfs/dbraw/zinc/76/10/81/1119761081.db2.gz KOICKNINPAACKW-QFIPXVFZSA-N 2 1 365.521 4.208 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000187007059 1119761085 /nfs/dbraw/zinc/76/10/85/1119761085.db2.gz KOICKNINPAACKW-QFIPXVFZSA-N 2 1 365.521 4.208 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190368039 1119936178 /nfs/dbraw/zinc/93/61/78/1119936178.db2.gz YMSQZAPQWHWVDF-UHFFFAOYSA-N 2 1 355.404 4.001 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190368039 1119936181 /nfs/dbraw/zinc/93/61/81/1119936181.db2.gz YMSQZAPQWHWVDF-UHFFFAOYSA-N 2 1 355.404 4.001 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000542487482 1119955291 /nfs/dbraw/zinc/95/52/91/1119955291.db2.gz KFDRJADWKIWPRK-DLBZAZTESA-N 2 1 358.505 4.235 20 0 FIADMP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000191639015 1119987684 /nfs/dbraw/zinc/98/76/84/1119987684.db2.gz PFORERLMQNCJDH-JOCHJYFZSA-N 2 1 368.496 4.205 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136410 1120120072 /nfs/dbraw/zinc/12/00/72/1120120072.db2.gz SVKGHSHVDXGSST-OFNKIYASSA-N 2 1 374.532 4.104 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000193989962 1120226227 /nfs/dbraw/zinc/22/62/27/1120226227.db2.gz ATPIIAJYWZUOLH-MXWWQKGMSA-N 2 1 351.332 4.017 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000542500498 1120227645 /nfs/dbraw/zinc/22/76/45/1120227645.db2.gz ZGFSJQRGLHBWSF-DNVCBOLYSA-N 2 1 362.439 4.147 20 0 FIADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000542503163 1120238636 /nfs/dbraw/zinc/23/86/36/1120238636.db2.gz RLHRTXJXWUQLQJ-MRXNPFEDSA-N 2 1 356.514 4.160 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000495002317 1120419472 /nfs/dbraw/zinc/41/94/72/1120419472.db2.gz XVBXEXAQWSTLBJ-ULQDDVLXSA-N 2 1 354.498 4.130 20 0 FIADMP Cc1ccccc1[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000495035786 1120443451 /nfs/dbraw/zinc/44/34/51/1120443451.db2.gz DVCRPSPGJTWURZ-QFIPXVFZSA-N 2 1 356.554 4.461 20 0 FIADMP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000495261129 1120596494 /nfs/dbraw/zinc/59/64/94/1120596494.db2.gz UTUTXEBEDHZOEY-DYESRHJHSA-N 2 1 355.913 4.093 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380981 1120768169 /nfs/dbraw/zinc/76/81/69/1120768169.db2.gz TXVRJVQADCGNPC-JUXOCIIHSA-N 2 1 350.506 4.183 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762738594 1120956850 /nfs/dbraw/zinc/95/68/50/1120956850.db2.gz UWSCJGLFGBPKQJ-ZIAGYGMSSA-N 2 1 372.326 4.146 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000236810491 1120970055 /nfs/dbraw/zinc/97/00/55/1120970055.db2.gz OTOBEXODIIHCRA-OAQYLSRUSA-N 2 1 368.521 4.096 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998020 1121332030 /nfs/dbraw/zinc/33/20/30/1121332030.db2.gz UKFHSTLNTUHOGH-LPHOPBHVSA-N 2 1 360.448 4.288 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998020 1121332039 /nfs/dbraw/zinc/33/20/39/1121332039.db2.gz UKFHSTLNTUHOGH-LPHOPBHVSA-N 2 1 360.448 4.288 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123392218 1121480891 /nfs/dbraw/zinc/48/08/91/1121480891.db2.gz QEGOWROTCDUETR-HOTGVXAUSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123392218 1121480900 /nfs/dbraw/zinc/48/09/00/1121480900.db2.gz QEGOWROTCDUETR-HOTGVXAUSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123392218 1121480906 /nfs/dbraw/zinc/48/09/06/1121480906.db2.gz QEGOWROTCDUETR-HOTGVXAUSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123392218 1121480919 /nfs/dbraw/zinc/48/09/19/1121480919.db2.gz QEGOWROTCDUETR-HOTGVXAUSA-N 2 1 358.448 4.279 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3c(C)cc(C)cc3C)cc2)CC1 ZINC000061070154 1121506729 /nfs/dbraw/zinc/50/67/29/1121506729.db2.gz NJWJDNJEOCIMNA-UHFFFAOYSA-N 2 1 365.565 4.039 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763411226 1121580130 /nfs/dbraw/zinc/58/01/30/1121580130.db2.gz CKHWTIWTTRGGLU-JYBIWHBTSA-N 2 1 358.551 4.203 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763411226 1121580135 /nfs/dbraw/zinc/58/01/35/1121580135.db2.gz CKHWTIWTTRGGLU-JYBIWHBTSA-N 2 1 358.551 4.203 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000763414924 1121580818 /nfs/dbraw/zinc/58/08/18/1121580818.db2.gz NWTGIDLHSNZODA-WKZKVMAPSA-N 2 1 370.512 4.138 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000763414924 1121580821 /nfs/dbraw/zinc/58/08/21/1121580821.db2.gz NWTGIDLHSNZODA-WKZKVMAPSA-N 2 1 370.512 4.138 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371493 1121689022 /nfs/dbraw/zinc/68/90/22/1121689022.db2.gz CJIXSNUJQPZDRR-AZUAARDMSA-N 2 1 350.506 4.401 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371741 1121689182 /nfs/dbraw/zinc/68/91/82/1121689182.db2.gz CJIXSNUJQPZDRR-UYAOXDASSA-N 2 1 350.506 4.401 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001168593537 1121710257 /nfs/dbraw/zinc/71/02/57/1121710257.db2.gz LHHILKRBXDCPTO-FGZHOGPDSA-N 2 1 354.538 4.246 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001168593537 1121710265 /nfs/dbraw/zinc/71/02/65/1121710265.db2.gz LHHILKRBXDCPTO-FGZHOGPDSA-N 2 1 354.538 4.246 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1(C)C ZINC001649095863 1121755508 /nfs/dbraw/zinc/75/55/08/1121755508.db2.gz IBWWOABDZNRWBG-UXHICEINSA-N 2 1 363.977 4.157 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000125633367 1121799785 /nfs/dbraw/zinc/79/97/85/1121799785.db2.gz ZEELHGOLARAGAG-QGZVFWFLSA-N 2 1 358.555 4.187 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000125633367 1121799790 /nfs/dbraw/zinc/79/97/90/1121799790.db2.gz ZEELHGOLARAGAG-QGZVFWFLSA-N 2 1 358.555 4.187 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@H+](CCCCn4cc[nH+]c4C)CC3)c2c1 ZINC000125970539 1121890211 /nfs/dbraw/zinc/89/02/11/1121890211.db2.gz KIYQOMNFEYQKPE-UHFFFAOYSA-N 2 1 364.493 4.251 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CCCCn4cc[nH+]c4C)CC3)c2c1 ZINC000125970539 1121890225 /nfs/dbraw/zinc/89/02/25/1121890225.db2.gz KIYQOMNFEYQKPE-UHFFFAOYSA-N 2 1 364.493 4.251 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008901 1121997685 /nfs/dbraw/zinc/99/76/85/1121997685.db2.gz USPYFVWZCSGBGR-KKSFZXQISA-N 2 1 374.475 4.020 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873025 1122021211 /nfs/dbraw/zinc/02/12/11/1122021211.db2.gz DILMVTSHVUVEMR-IRXDYDNUSA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873025 1122021219 /nfs/dbraw/zinc/02/12/19/1122021219.db2.gz DILMVTSHVUVEMR-IRXDYDNUSA-N 2 1 374.550 4.328 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186381319 1122072475 /nfs/dbraw/zinc/07/24/75/1122072475.db2.gz PDJBPNKNJKAQIJ-UHFFFAOYSA-N 2 1 354.494 4.073 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000066960594 1122116056 /nfs/dbraw/zinc/11/60/56/1122116056.db2.gz FBQWBQNTLURPNV-MRXNPFEDSA-N 2 1 365.949 4.111 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000066960594 1122116058 /nfs/dbraw/zinc/11/60/58/1122116058.db2.gz FBQWBQNTLURPNV-MRXNPFEDSA-N 2 1 365.949 4.111 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618093 1122151086 /nfs/dbraw/zinc/15/10/86/1122151086.db2.gz VVBLRHJCZZXXIS-GIWBLDEGSA-N 2 1 372.553 4.160 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618093 1122151092 /nfs/dbraw/zinc/15/10/92/1122151092.db2.gz VVBLRHJCZZXXIS-GIWBLDEGSA-N 2 1 372.553 4.160 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000128085899 1122189121 /nfs/dbraw/zinc/18/91/21/1122189121.db2.gz DLQNATSRHKCDPJ-UHFFFAOYSA-N 2 1 362.315 4.403 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497387233 1122199115 /nfs/dbraw/zinc/19/91/15/1122199115.db2.gz QTELJIRKRUWCAA-GOUWZUTHSA-N 2 1 364.533 4.264 20 0 FIADMP C[C@@H]([NH2+]C1(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000497593058 1122301156 /nfs/dbraw/zinc/30/11/56/1122301156.db2.gz WNPKVYUKGWPVLX-TZIWHRDSSA-N 2 1 371.569 4.031 20 0 FIADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000128495514 1122317444 /nfs/dbraw/zinc/31/74/44/1122317444.db2.gz ZIGMYLQZDGSWLR-SFHVURJKSA-N 2 1 358.357 4.062 20 0 FIADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000128495726 1122317579 /nfs/dbraw/zinc/31/75/79/1122317579.db2.gz ZIGMYLQZDGSWLR-GOSISDBHSA-N 2 1 358.357 4.062 20 0 FIADMP O[C@H](C[NH+]1CCC[C@H]1c1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000497760289 1122395667 /nfs/dbraw/zinc/39/56/67/1122395667.db2.gz XWBGXDDJPWYLQB-NUNAXRQHSA-N 2 1 350.506 4.022 20 0 FIADMP O[C@H](C[NH+]1CCC[C@H]1c1ccccc1)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000497760289 1122395673 /nfs/dbraw/zinc/39/56/73/1122395673.db2.gz XWBGXDDJPWYLQB-NUNAXRQHSA-N 2 1 350.506 4.022 20 0 FIADMP O[C@@H](C[NH+]1CCC[C@@H]1c1ccccc1)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000497760289 1122395680 /nfs/dbraw/zinc/39/56/80/1122395680.db2.gz XWBGXDDJPWYLQB-NUNAXRQHSA-N 2 1 350.506 4.022 20 0 FIADMP O[C@@H](C[NH+]1CCC[C@@H]1c1ccccc1)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000497760289 1122395683 /nfs/dbraw/zinc/39/56/83/1122395683.db2.gz XWBGXDDJPWYLQB-NUNAXRQHSA-N 2 1 350.506 4.022 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262667281 1122410046 /nfs/dbraw/zinc/41/00/46/1122410046.db2.gz KUKFMOXPYXAXCX-FGSXEWAUSA-N 2 1 365.521 4.336 20 0 FIADMP C[N@H+]1CC[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000556053492 1122625700 /nfs/dbraw/zinc/62/57/00/1122625700.db2.gz TVUPZEYJAALGKY-KMDXXIMOSA-N 2 1 363.549 4.249 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556060370 1122632106 /nfs/dbraw/zinc/63/21/06/1122632106.db2.gz FSNZSPYATFEQMA-DNQXCXABSA-N 2 1 366.549 4.451 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556060370 1122632108 /nfs/dbraw/zinc/63/21/08/1122632108.db2.gz FSNZSPYATFEQMA-DNQXCXABSA-N 2 1 366.549 4.451 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@@H]1c1ccccc1 ZINC000556094300 1122648156 /nfs/dbraw/zinc/64/81/56/1122648156.db2.gz WNMUSVOIXOZIFD-DENIHFKCSA-N 2 1 351.469 4.275 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@@H]1c1ccccc1 ZINC000556094300 1122648157 /nfs/dbraw/zinc/64/81/57/1122648157.db2.gz WNMUSVOIXOZIFD-DENIHFKCSA-N 2 1 351.469 4.275 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000556104972 1122656270 /nfs/dbraw/zinc/65/62/70/1122656270.db2.gz OANNHPYKNHDELQ-QLBRKBSLSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000556104972 1122656274 /nfs/dbraw/zinc/65/62/74/1122656274.db2.gz OANNHPYKNHDELQ-QLBRKBSLSA-N 2 1 363.549 4.075 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556104645 1122657540 /nfs/dbraw/zinc/65/75/40/1122657540.db2.gz FWRGBDWZMILBLM-VWPQPMDRSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556104645 1122657543 /nfs/dbraw/zinc/65/75/43/1122657543.db2.gz FWRGBDWZMILBLM-VWPQPMDRSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556104644 1122657718 /nfs/dbraw/zinc/65/77/18/1122657718.db2.gz FWRGBDWZMILBLM-TUNNFDKTSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H]1c1ccccc1 ZINC000556104644 1122657719 /nfs/dbraw/zinc/65/77/19/1122657719.db2.gz FWRGBDWZMILBLM-TUNNFDKTSA-N 2 1 369.940 4.344 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3o2)C[C@H](C)O1 ZINC000069833352 1122690556 /nfs/dbraw/zinc/69/05/56/1122690556.db2.gz FJCMWEHCXBNFBN-HDICACEKSA-N 2 1 364.489 4.332 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3o2)C[C@H](C)O1 ZINC000069833352 1122690559 /nfs/dbraw/zinc/69/05/59/1122690559.db2.gz FJCMWEHCXBNFBN-HDICACEKSA-N 2 1 364.489 4.332 20 0 FIADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556232846 1122749897 /nfs/dbraw/zinc/74/98/97/1122749897.db2.gz LGNIDBIDOUUSCD-FSSWDIPSSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H](CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)[NH+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470943709 1122893008 /nfs/dbraw/zinc/89/30/08/1122893008.db2.gz GTRUJDYHVHAALP-MEBFFEOJSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)[NH+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470943709 1122893013 /nfs/dbraw/zinc/89/30/13/1122893013.db2.gz GTRUJDYHVHAALP-MEBFFEOJSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470943709 1122893014 /nfs/dbraw/zinc/89/30/14/1122893014.db2.gz GTRUJDYHVHAALP-MEBFFEOJSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470943709 1122893019 /nfs/dbraw/zinc/89/30/19/1122893019.db2.gz GTRUJDYHVHAALP-MEBFFEOJSA-N 2 1 360.386 4.310 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000556881335 1123168753 /nfs/dbraw/zinc/16/87/53/1123168753.db2.gz NQHGOYUSLCOLET-UONOGXRCSA-N 2 1 369.490 4.441 20 0 FIADMP CC(C)Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000556889470 1123174955 /nfs/dbraw/zinc/17/49/55/1123174955.db2.gz HSFPGQKGNJHIOK-YADARESESA-N 2 1 366.549 4.303 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556890734 1123176652 /nfs/dbraw/zinc/17/66/52/1123176652.db2.gz VMCZYFFMKBSXIF-OKZBNKHCSA-N 2 1 360.542 4.316 20 0 FIADMP C[C@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499145496 1123286645 /nfs/dbraw/zinc/28/66/45/1123286645.db2.gz HDYNTLWATNIGCA-SNJCGAMXSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]1CCC[NH+](C(C)(C)CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499145496 1123286647 /nfs/dbraw/zinc/28/66/47/1123286647.db2.gz HDYNTLWATNIGCA-SNJCGAMXSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]1CCC[NH+](C(C)(C)CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499145496 1123286649 /nfs/dbraw/zinc/28/66/49/1123286649.db2.gz HDYNTLWATNIGCA-SNJCGAMXSA-N 2 1 369.597 4.282 20 0 FIADMP Fc1cccc(F)c1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499149781 1123293303 /nfs/dbraw/zinc/29/33/03/1123293303.db2.gz UKEMERJBHZJNRY-LDLYASANSA-N 2 1 356.460 4.293 20 0 FIADMP Fc1cccc(F)c1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499149783 1123293530 /nfs/dbraw/zinc/29/35/30/1123293530.db2.gz UKEMERJBHZJNRY-REPLKXPHSA-N 2 1 356.460 4.293 20 0 FIADMP CCc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499173540 1123306002 /nfs/dbraw/zinc/30/60/02/1123306002.db2.gz WJEOSLZANXWEIT-UEQSERJNSA-N 2 1 364.533 4.068 20 0 FIADMP CCc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499173540 1123306007 /nfs/dbraw/zinc/30/60/07/1123306007.db2.gz WJEOSLZANXWEIT-UEQSERJNSA-N 2 1 364.533 4.068 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000132971857 1123393021 /nfs/dbraw/zinc/39/30/21/1123393021.db2.gz HMWJNDGESNBWDU-UHFFFAOYSA-N 2 1 365.525 4.245 20 0 FIADMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000133761447 1123529067 /nfs/dbraw/zinc/52/90/67/1123529067.db2.gz NSAXRXZEQADPPW-JLTOFOAXSA-N 2 1 351.498 4.333 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237185337 1123601605 /nfs/dbraw/zinc/60/16/05/1123601605.db2.gz WOZNEHAADGBCBC-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237185337 1123601613 /nfs/dbraw/zinc/60/16/13/1123601613.db2.gz WOZNEHAADGBCBC-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000237569944 1123641361 /nfs/dbraw/zinc/64/13/61/1123641361.db2.gz LVAIGXBYWIZRGV-MRXNPFEDSA-N 2 1 374.960 4.023 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000135354485 1123742537 /nfs/dbraw/zinc/74/25/37/1123742537.db2.gz KABPKHABLKAKHV-UHFFFAOYSA-N 2 1 355.551 4.365 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000135354485 1123742543 /nfs/dbraw/zinc/74/25/43/1123742543.db2.gz KABPKHABLKAKHV-UHFFFAOYSA-N 2 1 355.551 4.365 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000135354485 1123742549 /nfs/dbraw/zinc/74/25/49/1123742549.db2.gz KABPKHABLKAKHV-UHFFFAOYSA-N 2 1 355.551 4.365 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000649288585 1123939469 /nfs/dbraw/zinc/93/94/69/1123939469.db2.gz ZNKSLFOMTYRHLF-MGPUTAFESA-N 2 1 371.912 4.353 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000649288585 1123939470 /nfs/dbraw/zinc/93/94/70/1123939470.db2.gz ZNKSLFOMTYRHLF-MGPUTAFESA-N 2 1 371.912 4.353 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000081094935 1123983989 /nfs/dbraw/zinc/98/39/89/1123983989.db2.gz ZDSXSJDVIZYNHR-GCJKJVERSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000081094935 1123983992 /nfs/dbraw/zinc/98/39/92/1123983992.db2.gz ZDSXSJDVIZYNHR-GCJKJVERSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000081094935 1123983995 /nfs/dbraw/zinc/98/39/95/1123983995.db2.gz ZDSXSJDVIZYNHR-GCJKJVERSA-N 2 1 365.521 4.101 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000263368988 1124030274 /nfs/dbraw/zinc/03/02/74/1124030274.db2.gz XJBCYXNBYOJVKQ-UWJYYQICSA-N 2 1 351.494 4.090 20 0 FIADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000056522646 1124158013 /nfs/dbraw/zinc/15/80/13/1124158013.db2.gz GCMUMSFWFBPVLV-UHFFFAOYSA-N 2 1 356.514 4.024 20 0 FIADMP COc1cc(F)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245645247 1124161253 /nfs/dbraw/zinc/16/12/53/1124161253.db2.gz BJLIZIVGFGJYJF-MZADTFQBSA-N 2 1 354.469 4.120 20 0 FIADMP COc1cc(F)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245645247 1124161257 /nfs/dbraw/zinc/16/12/57/1124161257.db2.gz BJLIZIVGFGJYJF-MZADTFQBSA-N 2 1 354.469 4.120 20 0 FIADMP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000245655526 1124170065 /nfs/dbraw/zinc/17/00/65/1124170065.db2.gz DLSMZPQSDZSFAM-OWZKRDHZSA-N 2 1 355.551 4.088 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C3)cc1 ZINC000245695176 1124204106 /nfs/dbraw/zinc/20/41/06/1124204106.db2.gz KZMSUWADBAYTKX-JOZNFPNDSA-N 3 1 369.597 4.428 20 0 FIADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C3)cc1 ZINC000245695176 1124204111 /nfs/dbraw/zinc/20/41/11/1124204111.db2.gz KZMSUWADBAYTKX-JOZNFPNDSA-N 2 1 369.597 4.428 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756720 1124241136 /nfs/dbraw/zinc/24/11/36/1124241136.db2.gz UXRRVHFVQYUEJX-JLLPCOHGSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756720 1124241140 /nfs/dbraw/zinc/24/11/40/1124241140.db2.gz UXRRVHFVQYUEJX-JLLPCOHGSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756720 1124241147 /nfs/dbraw/zinc/24/11/47/1124241147.db2.gz UXRRVHFVQYUEJX-JLLPCOHGSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756720 1124241154 /nfs/dbraw/zinc/24/11/54/1124241154.db2.gz UXRRVHFVQYUEJX-JLLPCOHGSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756720 1124241160 /nfs/dbraw/zinc/24/11/60/1124241160.db2.gz UXRRVHFVQYUEJX-JLLPCOHGSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756720 1124241167 /nfs/dbraw/zinc/24/11/67/1124241167.db2.gz UXRRVHFVQYUEJX-JLLPCOHGSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756720 1124241174 /nfs/dbraw/zinc/24/11/74/1124241174.db2.gz UXRRVHFVQYUEJX-JLLPCOHGSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H](c3nccn3C)C3CC3)cc2)C1 ZINC000245843375 1124260809 /nfs/dbraw/zinc/26/08/09/1124260809.db2.gz DEJQXSYCYXFPDL-SVMVAKDDSA-N 2 1 366.553 4.139 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H](c3nccn3C)C3CC3)cc2)C1 ZINC000245843375 1124260816 /nfs/dbraw/zinc/26/08/16/1124260816.db2.gz DEJQXSYCYXFPDL-SVMVAKDDSA-N 2 1 366.553 4.139 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H](c3nccn3C)C3CC3)cc2)C1 ZINC000245843375 1124260821 /nfs/dbraw/zinc/26/08/21/1124260821.db2.gz DEJQXSYCYXFPDL-SVMVAKDDSA-N 2 1 366.553 4.139 20 0 FIADMP CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000542846866 1124447515 /nfs/dbraw/zinc/44/75/15/1124447515.db2.gz OBFFACOVUNWAMK-CYFREDJKSA-N 2 1 366.549 4.303 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC23CC3)cc1 ZINC000655788979 1124507160 /nfs/dbraw/zinc/50/71/60/1124507160.db2.gz SNAODWDQKPAEEJ-BDTNDASRSA-N 2 1 354.538 4.121 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC23CC3)cc1 ZINC000655788979 1124507171 /nfs/dbraw/zinc/50/71/71/1124507171.db2.gz SNAODWDQKPAEEJ-BDTNDASRSA-N 2 1 354.538 4.121 20 0 FIADMP CCCCc1noc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057924962 1124545812 /nfs/dbraw/zinc/54/58/12/1124545812.db2.gz UQIINXMUEVNJCG-SFHVURJKSA-N 2 1 370.541 4.317 20 0 FIADMP CCCCc1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057924962 1124545815 /nfs/dbraw/zinc/54/58/15/1124545815.db2.gz UQIINXMUEVNJCG-SFHVURJKSA-N 2 1 370.541 4.317 20 0 FIADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000060368341 1124557555 /nfs/dbraw/zinc/55/75/55/1124557555.db2.gz GNJNYGJXMJPEQJ-GJZGRUSLSA-N 2 1 371.352 4.315 20 0 FIADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000060368340 1124557960 /nfs/dbraw/zinc/55/79/60/1124557960.db2.gz GNJNYGJXMJPEQJ-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000060368340 1124557961 /nfs/dbraw/zinc/55/79/61/1124557961.db2.gz GNJNYGJXMJPEQJ-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)ccn2)cc1 ZINC000246924693 1124574600 /nfs/dbraw/zinc/57/46/00/1124574600.db2.gz GXEXZRLHHNJPSA-CBGDNZLLSA-N 2 1 369.509 4.091 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)ccn2)cc1 ZINC000246924693 1124574605 /nfs/dbraw/zinc/57/46/05/1124574605.db2.gz GXEXZRLHHNJPSA-CBGDNZLLSA-N 2 1 369.509 4.091 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000247121483 1124592139 /nfs/dbraw/zinc/59/21/39/1124592139.db2.gz RFAGFRICBHSZHU-HTAPYJJXSA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000247121483 1124592142 /nfs/dbraw/zinc/59/21/42/1124592142.db2.gz RFAGFRICBHSZHU-HTAPYJJXSA-N 2 1 356.485 4.287 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)C1 ZINC000247183861 1124597291 /nfs/dbraw/zinc/59/72/91/1124597291.db2.gz VKWYSGHHMYUKPA-APWZRJJASA-N 2 1 357.567 4.425 20 0 FIADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000248874417 1124821540 /nfs/dbraw/zinc/82/15/40/1124821540.db2.gz LIUSHFYNYKPVBB-SCTDSRPQSA-N 2 1 362.533 4.256 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000515880457 1124829598 /nfs/dbraw/zinc/82/95/98/1124829598.db2.gz QZFRCNDZCYUNPK-SCZRWQTQSA-N 2 1 350.506 4.159 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000515880457 1124829601 /nfs/dbraw/zinc/82/96/01/1124829601.db2.gz QZFRCNDZCYUNPK-SCZRWQTQSA-N 2 1 350.506 4.159 20 0 FIADMP Clc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000248961365 1124829977 /nfs/dbraw/zinc/82/99/77/1124829977.db2.gz BEBPRBNURUORCJ-IKGGRYGDSA-N 2 1 368.352 4.179 20 0 FIADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000249181317 1124848921 /nfs/dbraw/zinc/84/89/21/1124848921.db2.gz ILPIHBBEUBRLJF-LMMKCTJWSA-N 2 1 352.526 4.114 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000249628373 1124870058 /nfs/dbraw/zinc/87/00/58/1124870058.db2.gz RFVIGVFXFIDAMK-LJQANCHMSA-N 2 1 366.553 4.059 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091265824 1125059854 /nfs/dbraw/zinc/05/98/54/1125059854.db2.gz OLCWIYIOLWZIEK-QHCPKHFHSA-N 2 1 350.506 4.068 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091285235 1125061838 /nfs/dbraw/zinc/06/18/38/1125061838.db2.gz UCILQVPENLXBLY-QGZVFWFLSA-N 2 1 350.510 4.264 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091285235 1125061845 /nfs/dbraw/zinc/06/18/45/1125061845.db2.gz UCILQVPENLXBLY-QGZVFWFLSA-N 2 1 350.510 4.264 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000091307329 1125064486 /nfs/dbraw/zinc/06/44/86/1125064486.db2.gz RNVBPUQKIMFVLY-MBSDFSHPSA-N 2 1 350.506 4.148 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000091307329 1125064494 /nfs/dbraw/zinc/06/44/94/1125064494.db2.gz RNVBPUQKIMFVLY-MBSDFSHPSA-N 2 1 350.506 4.148 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000091333640 1125066047 /nfs/dbraw/zinc/06/60/47/1125066047.db2.gz YWMKFMGGTCUNAF-LJQANCHMSA-N 2 1 371.491 4.020 20 0 FIADMP C[NH+](C/C=C/C[N@@H+](C)CCc1ccc(F)cc1)CCc1ccc(F)cc1 ZINC000065596321 1125273099 /nfs/dbraw/zinc/27/30/99/1125273099.db2.gz RRABUDUZNDEWQD-ONEGZZNKSA-N 2 1 358.476 4.170 20 0 FIADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1C[NH+]1CCCCC1 ZINC000040860099 208272457 /nfs/dbraw/zinc/27/24/57/208272457.db2.gz CLHOFEGUPHQCTG-UHFFFAOYSA-N 2 1 350.506 4.172 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000604065501 568205411 /nfs/dbraw/zinc/20/54/11/568205411.db2.gz FYDAMZVTOXVOTE-UHFFFAOYSA-N 2 1 362.521 4.061 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000604065501 568205412 /nfs/dbraw/zinc/20/54/12/568205412.db2.gz FYDAMZVTOXVOTE-UHFFFAOYSA-N 2 1 362.521 4.061 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000604418011 568276040 /nfs/dbraw/zinc/27/60/40/568276040.db2.gz CDABRZRYPBVSCC-NQIIRXRSSA-N 2 1 356.510 4.173 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000604418011 568276042 /nfs/dbraw/zinc/27/60/42/568276042.db2.gz CDABRZRYPBVSCC-NQIIRXRSSA-N 2 1 356.510 4.173 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909653 568533513 /nfs/dbraw/zinc/53/35/13/568533513.db2.gz NOUMSKDDBDWEPD-YJBOKZPZSA-N 2 1 364.942 4.343 20 0 FIADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)cc(C)[nH+]2)CC3)cs1 ZINC001164690852 719803756 /nfs/dbraw/zinc/80/37/56/719803756.db2.gz AZWQLOWYXLNMDK-UHFFFAOYSA-N 2 1 356.539 4.098 20 0 FIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@H]21 ZINC001165025179 721815519 /nfs/dbraw/zinc/81/55/19/721815519.db2.gz LTEWXJZKSUUABJ-CEMLEFRQSA-N 2 1 362.521 4.091 20 0 FIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@H]21 ZINC001165025179 721815522 /nfs/dbraw/zinc/81/55/22/721815522.db2.gz LTEWXJZKSUUABJ-CEMLEFRQSA-N 2 1 362.521 4.091 20 0 FIADMP CC(C)Oc1cc[nH+]c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996244 722201920 /nfs/dbraw/zinc/20/19/20/722201920.db2.gz SCIUVEBGKMVMOY-QFIPXVFZSA-N 2 1 369.484 4.253 20 0 FIADMP CC(C)Oc1cc[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996244 722201922 /nfs/dbraw/zinc/20/19/22/722201922.db2.gz SCIUVEBGKMVMOY-QFIPXVFZSA-N 2 1 369.484 4.253 20 0 FIADMP Cc1[nH+]c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc2[nH]ccc21 ZINC001164995390 722206724 /nfs/dbraw/zinc/20/67/24/722206724.db2.gz NFEBGDUERRQHGM-QFIPXVFZSA-N 2 1 364.468 4.255 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770082 1125519321 /nfs/dbraw/zinc/51/93/21/1125519321.db2.gz KSBSBUPRLZMCNC-HXUWFJFHSA-N 2 1 367.537 4.051 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770082 1125519324 /nfs/dbraw/zinc/51/93/24/1125519324.db2.gz KSBSBUPRLZMCNC-HXUWFJFHSA-N 2 1 367.537 4.051 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770082 1125519328 /nfs/dbraw/zinc/51/93/28/1125519328.db2.gz KSBSBUPRLZMCNC-HXUWFJFHSA-N 2 1 367.537 4.051 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770082 1125519334 /nfs/dbraw/zinc/51/93/34/1125519334.db2.gz KSBSBUPRLZMCNC-HXUWFJFHSA-N 2 1 367.537 4.051 20 0 FIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000182507120 1125539599 /nfs/dbraw/zinc/53/95/99/1125539599.db2.gz SEQDOMADJUIPEF-SFHVURJKSA-N 3 1 373.585 4.062 20 0 FIADMP Cc1cc2oc(=O)cc(C[NH2+]C3CC[NH+](C(C)C)CC3)c2cc1C(C)C ZINC000182626539 1125588569 /nfs/dbraw/zinc/58/85/69/1125588569.db2.gz ZXVZKTXLZIJNRB-UHFFFAOYSA-N 2 1 356.510 4.187 20 0 FIADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000261728804 1125650167 /nfs/dbraw/zinc/65/01/67/1125650167.db2.gz RKQKLAPBULCOQC-JTQLQIEISA-N 2 1 354.338 4.283 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000619761474 1125685362 /nfs/dbraw/zinc/68/53/62/1125685362.db2.gz NRSSUUIJKPXNHA-PMACEKPBSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000619761474 1125685365 /nfs/dbraw/zinc/68/53/65/1125685365.db2.gz NRSSUUIJKPXNHA-PMACEKPBSA-N 2 1 354.469 4.121 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000153250568 1125763973 /nfs/dbraw/zinc/76/39/73/1125763973.db2.gz CMGGJVPCPNWVKN-HXUWFJFHSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000579744269 1079607717 /nfs/dbraw/zinc/60/77/17/1079607717.db2.gz YGCGUXVJAZVIFV-RDBSUJKOSA-N 2 1 371.388 4.251 20 0 FIADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)o2)cc1 ZINC000617867785 1079631407 /nfs/dbraw/zinc/63/14/07/1079631407.db2.gz CAWAHMXNKJDDFU-LJQANCHMSA-N 2 1 370.493 4.039 20 0 FIADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)o2)cc1 ZINC000617867785 1079631409 /nfs/dbraw/zinc/63/14/09/1079631409.db2.gz CAWAHMXNKJDDFU-LJQANCHMSA-N 2 1 370.493 4.039 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000510097717 1079999861 /nfs/dbraw/zinc/99/98/61/1079999861.db2.gz DXGVGXMIUAIKAF-UHFFFAOYSA-N 2 1 353.348 4.393 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463163003 1080024795 /nfs/dbraw/zinc/02/47/95/1080024795.db2.gz QNRMUTRSVKDUDX-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463163003 1080024804 /nfs/dbraw/zinc/02/48/04/1080024804.db2.gz QNRMUTRSVKDUDX-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000471167092 1080067960 /nfs/dbraw/zinc/06/79/60/1080067960.db2.gz ABHPYDGKEKGEIR-TZMCWYRMSA-N 2 1 357.845 4.054 20 0 FIADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356917 1080156308 /nfs/dbraw/zinc/15/63/08/1080156308.db2.gz CEBPAYKWXZOYPY-RTWAWAEBSA-N 2 1 358.913 4.018 20 0 FIADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356917 1080156313 /nfs/dbraw/zinc/15/63/13/1080156313.db2.gz CEBPAYKWXZOYPY-RTWAWAEBSA-N 2 1 358.913 4.018 20 0 FIADMP CC[NH+](CC)CCCC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547737326 1080325914 /nfs/dbraw/zinc/32/59/14/1080325914.db2.gz HMRHFCBZPHHDQQ-UHFFFAOYSA-N 2 1 365.606 4.002 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000547738386 1080332583 /nfs/dbraw/zinc/33/25/83/1080332583.db2.gz BQKZGMFHCZDVPW-FOJYNEPKSA-N 2 1 369.597 4.061 20 0 FIADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC001167130084 1080660267 /nfs/dbraw/zinc/66/02/67/1080660267.db2.gz DJCRFJAIHRNFLW-SFHVURJKSA-N 2 1 356.485 4.241 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC001167130084 1080660272 /nfs/dbraw/zinc/66/02/72/1080660272.db2.gz DJCRFJAIHRNFLW-SFHVURJKSA-N 2 1 356.485 4.241 20 0 FIADMP C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683347309 1080701234 /nfs/dbraw/zinc/70/12/34/1080701234.db2.gz OBRMVIJNJREULN-YOLZPYMBSA-N 2 1 358.570 4.470 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000155230033 1080728866 /nfs/dbraw/zinc/72/88/66/1080728866.db2.gz ITDHLLLSSCMUEZ-DNQXCXABSA-N 2 1 364.533 4.203 20 0 FIADMP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000579898018 1080847604 /nfs/dbraw/zinc/84/76/04/1080847604.db2.gz VSXIMYIYARUOAM-KOUNCHBCSA-N 2 1 356.554 4.369 20 0 FIADMP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000312519853 1080965458 /nfs/dbraw/zinc/96/54/58/1080965458.db2.gz OIRGYUJSQYDGPM-RXVVDRJESA-N 2 1 368.521 4.094 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1Br ZINC000237733758 1080991433 /nfs/dbraw/zinc/99/14/33/1080991433.db2.gz XLHCTTKQKOBYLS-UHFFFAOYSA-N 2 1 351.332 4.254 20 0 FIADMP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655698141 1081123569 /nfs/dbraw/zinc/12/35/69/1081123569.db2.gz XOPIQRAGQSPEQF-NRFANRHFSA-N 2 1 352.526 4.272 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655698141 1081123573 /nfs/dbraw/zinc/12/35/73/1081123573.db2.gz XOPIQRAGQSPEQF-NRFANRHFSA-N 2 1 352.526 4.272 20 0 FIADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000655705199 1081126531 /nfs/dbraw/zinc/12/65/31/1081126531.db2.gz YUSIWTMBOOJGPX-NRFANRHFSA-N 2 1 356.554 4.040 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cc(C)cc(C)c43)CC2)oc1C ZINC000655710627 1081129237 /nfs/dbraw/zinc/12/92/37/1081129237.db2.gz BBZOQIOVHPWHMH-NRFANRHFSA-N 2 1 367.537 4.397 20 0 FIADMP COCCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000655724643 1081142407 /nfs/dbraw/zinc/14/24/07/1081142407.db2.gz GDUBPVPHXFNGJW-UHFFFAOYSA-N 2 1 373.566 4.017 20 0 FIADMP c1csc([C@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655731698 1081150060 /nfs/dbraw/zinc/15/00/60/1081150060.db2.gz ZZVZMFZYDLDNKQ-SFTDATJTSA-N 2 1 370.562 4.265 20 0 FIADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766507 1081182521 /nfs/dbraw/zinc/18/25/21/1081182521.db2.gz HOFQYXDBUYGWHX-SFTDATJTSA-N 2 1 364.961 4.313 20 0 FIADMP CCC(C)(C)c1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC001167298195 1081189806 /nfs/dbraw/zinc/18/98/06/1081189806.db2.gz HLFHCACSHCSWFL-SFTDATJTSA-N 2 1 371.613 4.365 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000547981476 1081327094 /nfs/dbraw/zinc/32/70/94/1081327094.db2.gz FRXADZJYYNJVKG-INIZCTEOSA-N 2 1 360.461 4.003 20 0 FIADMP c1nc(C2CC2)c(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000683774702 1081539756 /nfs/dbraw/zinc/53/97/56/1081539756.db2.gz IVKPMDJKVPSACU-UFYCRDLUSA-N 2 1 367.562 4.411 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000580249897 1081779530 /nfs/dbraw/zinc/77/95/30/1081779530.db2.gz QQMVOXIYHWSYCV-FPOVZHCZSA-N 2 1 354.542 4.417 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000580249897 1081779533 /nfs/dbraw/zinc/77/95/33/1081779533.db2.gz QQMVOXIYHWSYCV-FPOVZHCZSA-N 2 1 354.542 4.417 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363661 1081901189 /nfs/dbraw/zinc/90/11/89/1081901189.db2.gz IIIYFFMEPSFBGB-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363661 1081901191 /nfs/dbraw/zinc/90/11/91/1081901191.db2.gz IIIYFFMEPSFBGB-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363661 1081901194 /nfs/dbraw/zinc/90/11/94/1081901194.db2.gz IIIYFFMEPSFBGB-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363661 1081901197 /nfs/dbraw/zinc/90/11/97/1081901197.db2.gz IIIYFFMEPSFBGB-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000580501591 1081985151 /nfs/dbraw/zinc/98/51/51/1081985151.db2.gz LYLXFPRDHJTMJB-UGKGYDQZSA-N 2 1 352.522 4.132 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000312889949 1081993756 /nfs/dbraw/zinc/99/37/56/1081993756.db2.gz HZIJYRRZICEWCR-YADHBBJMSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000312889949 1081993760 /nfs/dbraw/zinc/99/37/60/1081993760.db2.gz HZIJYRRZICEWCR-YADHBBJMSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000312889949 1081993764 /nfs/dbraw/zinc/99/37/64/1081993764.db2.gz HZIJYRRZICEWCR-YADHBBJMSA-N 2 1 357.501 4.189 20 0 FIADMP Cc1cnn(CCCCC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000580718288 1082096508 /nfs/dbraw/zinc/09/65/08/1082096508.db2.gz SNIVLUAUAUFVKT-FQEVSTJZSA-N 2 1 374.598 4.186 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000580718288 1082096515 /nfs/dbraw/zinc/09/65/15/1082096515.db2.gz SNIVLUAUAUFVKT-FQEVSTJZSA-N 2 1 374.598 4.186 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000580718288 1082096522 /nfs/dbraw/zinc/09/65/22/1082096522.db2.gz SNIVLUAUAUFVKT-FQEVSTJZSA-N 2 1 374.598 4.186 20 0 FIADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCC2CCOCC2)cc1 ZINC000656401788 1082332758 /nfs/dbraw/zinc/33/27/58/1082332758.db2.gz JBKMPKFAUYAPGF-KIHHCIJBSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCC2CCOCC2)cc1 ZINC000656401788 1082332765 /nfs/dbraw/zinc/33/27/65/1082332765.db2.gz JBKMPKFAUYAPGF-KIHHCIJBSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCC2CCOCC2)cc1 ZINC000656401788 1082332771 /nfs/dbraw/zinc/33/27/71/1082332771.db2.gz JBKMPKFAUYAPGF-KIHHCIJBSA-N 2 1 368.565 4.036 20 0 FIADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581384494 1082506997 /nfs/dbraw/zinc/50/69/97/1082506997.db2.gz YQJXNHNRMSTLIS-FGZHOGPDSA-N 2 1 358.570 4.474 20 0 FIADMP CC(C)Cn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000647171810 1082780505 /nfs/dbraw/zinc/78/05/05/1082780505.db2.gz XIBXNGIIAATQDR-IBGZPJMESA-N 2 1 354.542 4.061 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157443506 1082842400 /nfs/dbraw/zinc/84/24/00/1082842400.db2.gz NRAHVXKYRYTYBA-FQEVSTJZSA-N 2 1 351.494 4.324 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157443506 1082842407 /nfs/dbraw/zinc/84/24/07/1082842407.db2.gz NRAHVXKYRYTYBA-FQEVSTJZSA-N 2 1 351.494 4.324 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000559068922 1082879771 /nfs/dbraw/zinc/87/97/71/1082879771.db2.gz QRGVBCCLTFDSRH-QGZVFWFLSA-N 2 1 358.476 4.370 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000559068922 1082879782 /nfs/dbraw/zinc/87/97/82/1082879782.db2.gz QRGVBCCLTFDSRH-QGZVFWFLSA-N 2 1 358.476 4.370 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000559068922 1082879786 /nfs/dbraw/zinc/87/97/86/1082879786.db2.gz QRGVBCCLTFDSRH-QGZVFWFLSA-N 2 1 358.476 4.370 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913788 1083037999 /nfs/dbraw/zinc/03/79/99/1083037999.db2.gz AHOUXXJOQASBKY-RDTXWAMCSA-N 2 1 369.347 4.086 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913788 1083038003 /nfs/dbraw/zinc/03/80/03/1083038003.db2.gz AHOUXXJOQASBKY-RDTXWAMCSA-N 2 1 369.347 4.086 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3CCCF)CC2)cs1 ZINC000510720802 1083261117 /nfs/dbraw/zinc/26/11/17/1083261117.db2.gz LWQVRFZPSNLQRK-IEBWSBKVSA-N 2 1 367.578 4.426 20 0 FIADMP CO[C@]1(C)C[C@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)C1(C)C ZINC001167493448 1083269214 /nfs/dbraw/zinc/26/92/14/1083269214.db2.gz YUYHXTVSDICIIE-LADGPHEKSA-N 2 1 372.597 4.467 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000658234529 1083375309 /nfs/dbraw/zinc/37/53/09/1083375309.db2.gz AUBIUZJJHDWUSK-GAJHUEQPSA-N 2 1 350.506 4.065 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]2CCCO[C@H]21 ZINC000658320202 1083405996 /nfs/dbraw/zinc/40/59/96/1083405996.db2.gz RDLCAJRDBZVETR-CIAFKFPVSA-N 2 1 368.565 4.082 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000658319516 1083406565 /nfs/dbraw/zinc/40/65/65/1083406565.db2.gz DSRAMHYCPDJCHQ-QFBILLFUSA-N 2 1 355.551 4.404 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320036 1083406797 /nfs/dbraw/zinc/40/67/97/1083406797.db2.gz MLVHMHZJKSZXEB-PKOBYXMFSA-N 2 1 353.485 4.174 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320036 1083406804 /nfs/dbraw/zinc/40/68/04/1083406804.db2.gz MLVHMHZJKSZXEB-PKOBYXMFSA-N 2 1 353.485 4.174 20 0 FIADMP COc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OCc1ccccc1 ZINC000520953394 1083482329 /nfs/dbraw/zinc/48/23/29/1083482329.db2.gz DQAUMOWLQYEMDS-UHFFFAOYSA-N 2 1 368.521 4.240 20 0 FIADMP CC(=O)Nc1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000093844543 1083501371 /nfs/dbraw/zinc/50/13/71/1083501371.db2.gz YHJQSTZFHAEVDM-SFHVURJKSA-N 2 1 357.542 4.122 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000510936440 1083511684 /nfs/dbraw/zinc/51/16/84/1083511684.db2.gz VSOOASHJTFQXFS-HNNXBMFYSA-N 2 1 354.317 4.147 20 0 FIADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000510961562 1083540128 /nfs/dbraw/zinc/54/01/28/1083540128.db2.gz MMOMJZFAULKSAJ-SJORKVTESA-N 2 1 372.475 4.117 20 0 FIADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000510961562 1083540138 /nfs/dbraw/zinc/54/01/38/1083540138.db2.gz MMOMJZFAULKSAJ-SJORKVTESA-N 2 1 372.475 4.117 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000510979035 1083555462 /nfs/dbraw/zinc/55/54/62/1083555462.db2.gz USSLCSWMEUNWGO-YWMUFLPLSA-N 2 1 360.517 4.454 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510980641 1083556478 /nfs/dbraw/zinc/55/64/78/1083556478.db2.gz YMVBCEVJQZTXKJ-PERKRYKHSA-N 2 1 368.496 4.322 20 0 FIADMP CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1Br ZINC000535668698 1083565984 /nfs/dbraw/zinc/56/59/84/1083565984.db2.gz WUPPATJKAONYPV-UHFFFAOYSA-N 2 1 350.304 4.256 20 0 FIADMP CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1Br ZINC000535668698 1083565996 /nfs/dbraw/zinc/56/59/96/1083565996.db2.gz WUPPATJKAONYPV-UHFFFAOYSA-N 2 1 350.304 4.256 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000535764622 1083632142 /nfs/dbraw/zinc/63/21/42/1083632142.db2.gz ATYYQSVBAAMPKB-QGZVFWFLSA-N 2 1 354.523 4.461 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000535764622 1083632152 /nfs/dbraw/zinc/63/21/52/1083632152.db2.gz ATYYQSVBAAMPKB-QGZVFWFLSA-N 2 1 354.523 4.461 20 0 FIADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180959917 1083703343 /nfs/dbraw/zinc/70/33/43/1083703343.db2.gz ZJNAILZQVDDGKQ-XZOQPEGZSA-N 2 1 364.533 4.134 20 0 FIADMP Clc1cccc(Cl)c1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684614517 1083784422 /nfs/dbraw/zinc/78/44/22/1083784422.db2.gz YJNBMMDJMGRGHP-INIZCTEOSA-N 2 1 371.352 4.159 20 0 FIADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000065976486 1083904524 /nfs/dbraw/zinc/90/45/24/1083904524.db2.gz WZAZZSPNXPGJSU-UHFFFAOYSA-N 2 1 362.949 4.327 20 0 FIADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976486 1083904526 /nfs/dbraw/zinc/90/45/26/1083904526.db2.gz WZAZZSPNXPGJSU-UHFFFAOYSA-N 2 1 362.949 4.327 20 0 FIADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000510995843 1084028700 /nfs/dbraw/zinc/02/87/00/1084028700.db2.gz RLIRPHFJDJCZPH-QFIPXVFZSA-N 2 1 367.468 4.303 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000382384491 1084131369 /nfs/dbraw/zinc/13/13/69/1084131369.db2.gz SDBDFIMOLWISRV-GOTSBHOMSA-N 2 1 350.506 4.184 20 0 FIADMP CSC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C(F)(F)F)cc1 ZINC000511018427 1084199976 /nfs/dbraw/zinc/19/99/76/1084199976.db2.gz TUUMYTQEDPUXGH-MRXNPFEDSA-N 2 1 357.445 4.294 20 0 FIADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511020376 1084206068 /nfs/dbraw/zinc/20/60/68/1084206068.db2.gz XOBAAASKWNGHEQ-MJGOQNOKSA-N 2 1 358.476 4.398 20 0 FIADMP Cc1ccc2[nH]c(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cc2c1C ZINC000472078685 1084251132 /nfs/dbraw/zinc/25/11/32/1084251132.db2.gz CVFCUWBFYIVKLP-OAQYLSRUSA-N 2 1 361.533 4.439 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000157630539 1084422430 /nfs/dbraw/zinc/42/24/30/1084422430.db2.gz RIKCBKOXPMBHRL-DLBZAZTESA-N 2 1 352.526 4.176 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000511055047 1084448275 /nfs/dbraw/zinc/44/82/75/1084448275.db2.gz USMZQPMRWOTYFW-KRWDZBQOSA-N 2 1 362.315 4.356 20 0 FIADMP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000657323987 1084566186 /nfs/dbraw/zinc/56/61/86/1084566186.db2.gz KOOYSDXTBGTUCO-UHFFFAOYSA-N 2 1 366.553 4.352 20 0 FIADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000657323664 1084566369 /nfs/dbraw/zinc/56/63/69/1084566369.db2.gz GHPPRPPKYRDUEW-UHFFFAOYSA-N 2 1 354.542 4.347 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414129960 1084647822 /nfs/dbraw/zinc/64/78/22/1084647822.db2.gz VQKIMRWPMDCVJX-HKUYNNGSSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141545 1084696740 /nfs/dbraw/zinc/69/67/40/1084696740.db2.gz QXTUKTBSKSVRKX-XPNTWCBSSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141545 1084696743 /nfs/dbraw/zinc/69/67/43/1084696743.db2.gz QXTUKTBSKSVRKX-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141545 1084696746 /nfs/dbraw/zinc/69/67/46/1084696746.db2.gz QXTUKTBSKSVRKX-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141545 1084696748 /nfs/dbraw/zinc/69/67/48/1084696748.db2.gz QXTUKTBSKSVRKX-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141545 1084696754 /nfs/dbraw/zinc/69/67/54/1084696754.db2.gz QXTUKTBSKSVRKX-XPNTWCBSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141542 1084696792 /nfs/dbraw/zinc/69/67/92/1084696792.db2.gz QXTUKTBSKSVRKX-FUPPJEDESA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141542 1084696795 /nfs/dbraw/zinc/69/67/95/1084696795.db2.gz QXTUKTBSKSVRKX-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141542 1084696797 /nfs/dbraw/zinc/69/67/97/1084696797.db2.gz QXTUKTBSKSVRKX-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141542 1084696802 /nfs/dbraw/zinc/69/68/02/1084696802.db2.gz QXTUKTBSKSVRKX-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141542 1084696807 /nfs/dbraw/zinc/69/68/07/1084696807.db2.gz QXTUKTBSKSVRKX-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[NH2+]CC1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000261772554 1084719919 /nfs/dbraw/zinc/71/99/19/1084719919.db2.gz XCRJJGOTGUICKL-UHFFFAOYSA-N 2 1 354.338 4.156 20 0 FIADMP c1csc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)c1 ZINC000657360622 1084724245 /nfs/dbraw/zinc/72/42/45/1084724245.db2.gz NFAKFAGIORRZAL-FQEVSTJZSA-N 2 1 356.535 4.148 20 0 FIADMP Cc1ncsc1-c1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000657382082 1084818594 /nfs/dbraw/zinc/81/85/94/1084818594.db2.gz AINCQMCYLZZQRA-UHFFFAOYSA-N 2 1 373.566 4.098 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000613491351 1084818958 /nfs/dbraw/zinc/81/89/58/1084818958.db2.gz OWSUOSGYLRYIMM-UHFFFAOYSA-N 2 1 352.906 4.013 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000613491931 1084829092 /nfs/dbraw/zinc/82/90/92/1084829092.db2.gz FEWSKGVOTFHOAH-UHFFFAOYSA-N 2 1 370.541 4.243 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000613491931 1084829096 /nfs/dbraw/zinc/82/90/96/1084829096.db2.gz FEWSKGVOTFHOAH-UHFFFAOYSA-N 2 1 370.541 4.243 20 0 FIADMP CCSCC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545629225 1085258357 /nfs/dbraw/zinc/25/83/57/1085258357.db2.gz PSJHGGLPFTVZCL-DOTOQJQBSA-N 2 1 360.489 4.431 20 0 FIADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545629225 1085258367 /nfs/dbraw/zinc/25/83/67/1085258367.db2.gz PSJHGGLPFTVZCL-DOTOQJQBSA-N 2 1 360.489 4.431 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955953 1085311877 /nfs/dbraw/zinc/31/18/77/1085311877.db2.gz UAAIAXGHOHIOMK-RBBKRZOGSA-N 2 1 374.532 4.435 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955953 1085311889 /nfs/dbraw/zinc/31/18/89/1085311889.db2.gz UAAIAXGHOHIOMK-RBBKRZOGSA-N 2 1 374.532 4.435 20 0 FIADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000582689027 1085377389 /nfs/dbraw/zinc/37/73/89/1085377389.db2.gz YQOSTJXJFLKJPX-QGZVFWFLSA-N 2 1 367.493 4.318 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421852775 1085391281 /nfs/dbraw/zinc/39/12/81/1085391281.db2.gz ISRNSHUIJSUTPU-JTHBVZDNSA-N 2 1 363.549 4.219 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421852775 1085391294 /nfs/dbraw/zinc/39/12/94/1085391294.db2.gz ISRNSHUIJSUTPU-JTHBVZDNSA-N 2 1 363.549 4.219 20 0 FIADMP C[C@H](CC[N@H+]1CC[C@H](CC(F)(F)F)C1)[NH+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707420 1085549136 /nfs/dbraw/zinc/54/91/36/1085549136.db2.gz PPINBRFXOFPQKG-MGPQQGTHSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@H](CC(F)(F)F)C1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707420 1085549141 /nfs/dbraw/zinc/54/91/41/1085549141.db2.gz PPINBRFXOFPQKG-MGPQQGTHSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@H](CC(F)(F)F)C1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707420 1085549149 /nfs/dbraw/zinc/54/91/49/1085549149.db2.gz PPINBRFXOFPQKG-MGPQQGTHSA-N 2 1 360.386 4.314 20 0 FIADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C)c1 ZINC000045807078 1085595235 /nfs/dbraw/zinc/59/52/35/1085595235.db2.gz SFQMUHJQFFOGMJ-UHFFFAOYSA-N 2 1 371.569 4.138 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237479274 1085663342 /nfs/dbraw/zinc/66/33/42/1085663342.db2.gz ISWTVRMLBVHAOU-JBYIUTFZSA-N 2 1 365.521 4.193 20 0 FIADMP COCc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000549549501 1085671185 /nfs/dbraw/zinc/67/11/85/1085671185.db2.gz UDVDABGUWCVAKZ-MOJGAOKDSA-N 2 1 352.522 4.079 20 0 FIADMP CC1(C)CC([NH2+]Cc2ccccc2OCc2ccccn2)CC(C)(C)[NH2+]1 ZINC000236738872 1085722983 /nfs/dbraw/zinc/72/29/83/1085722983.db2.gz PCJGRFPOPJRMLQ-UHFFFAOYSA-N 2 1 353.510 4.059 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)C[C@H](C)O1 ZINC000652166535 1085733195 /nfs/dbraw/zinc/73/31/95/1085733195.db2.gz VHTBRZOWHUVUGX-XQBPLPMBSA-N 2 1 359.558 4.182 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@@H]21 ZINC001167648331 1086026983 /nfs/dbraw/zinc/02/69/83/1086026983.db2.gz SMCFXJIYYUDDTP-OFNKIYASSA-N 2 1 368.496 4.321 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@@H]21 ZINC001167648331 1086026994 /nfs/dbraw/zinc/02/69/94/1086026994.db2.gz SMCFXJIYYUDDTP-OFNKIYASSA-N 2 1 368.496 4.321 20 0 FIADMP COCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024061 1086041420 /nfs/dbraw/zinc/04/14/20/1086041420.db2.gz FPGHOAGFGLGKJN-QFIPXVFZSA-N 2 1 350.506 4.120 20 0 FIADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024061 1086041430 /nfs/dbraw/zinc/04/14/30/1086041430.db2.gz FPGHOAGFGLGKJN-QFIPXVFZSA-N 2 1 350.506 4.120 20 0 FIADMP C[C@@H](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053751 1086182707 /nfs/dbraw/zinc/18/27/07/1086182707.db2.gz YCEMTOUNKUBYPY-XXTHSBEZSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053751 1086182711 /nfs/dbraw/zinc/18/27/11/1086182711.db2.gz YCEMTOUNKUBYPY-XXTHSBEZSA-N 3 1 355.570 4.036 20 0 FIADMP C[C@@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053751 1086182713 /nfs/dbraw/zinc/18/27/13/1086182713.db2.gz YCEMTOUNKUBYPY-XXTHSBEZSA-N 3 1 355.570 4.036 20 0 FIADMP Clc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662296004 1086400906 /nfs/dbraw/zinc/40/09/06/1086400906.db2.gz JVAUOHVDEAGNKI-QGZVFWFLSA-N 2 1 359.901 4.207 20 0 FIADMP CC[C@@H](c1ccccc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327120 1086414074 /nfs/dbraw/zinc/41/40/74/1086414074.db2.gz JTTOIHAHNRBLDN-QFIPXVFZSA-N 2 1 352.526 4.207 20 0 FIADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)s2)cc1 ZINC000663345026 1086444913 /nfs/dbraw/zinc/44/49/13/1086444913.db2.gz FUHDZIUIPVDYFJ-GOSISDBHSA-N 2 1 355.551 4.330 20 0 FIADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)s2)cc1 ZINC000663345026 1086444917 /nfs/dbraw/zinc/44/49/17/1086444917.db2.gz FUHDZIUIPVDYFJ-GOSISDBHSA-N 2 1 355.551 4.330 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000052210051 1086457393 /nfs/dbraw/zinc/45/73/93/1086457393.db2.gz MOEGMZDKJFENQF-LJQANCHMSA-N 2 1 372.475 4.183 20 0 FIADMP COc1c(F)cccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001143524507 1086464286 /nfs/dbraw/zinc/46/42/86/1086464286.db2.gz RQNHUQBXKVMFRH-UHFFFAOYSA-N 2 1 374.525 4.384 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CCN1C ZINC000165550897 1086537093 /nfs/dbraw/zinc/53/70/93/1086537093.db2.gz LYBXJEPTPYGUER-WMZHIEFXSA-N 3 1 374.532 4.171 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441525 1086544981 /nfs/dbraw/zinc/54/49/81/1086544981.db2.gz UWIPZSCVWUMYBS-XNRPHZJLSA-N 2 1 369.372 4.448 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441525 1086544986 /nfs/dbraw/zinc/54/49/86/1086544986.db2.gz UWIPZSCVWUMYBS-XNRPHZJLSA-N 2 1 369.372 4.448 20 0 FIADMP Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468223 1086571914 /nfs/dbraw/zinc/57/19/14/1086571914.db2.gz KLFFYSBIMDMSAO-VQIMIIECSA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468223 1086571930 /nfs/dbraw/zinc/57/19/30/1086571930.db2.gz KLFFYSBIMDMSAO-VQIMIIECSA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468223 1086571938 /nfs/dbraw/zinc/57/19/38/1086571938.db2.gz KLFFYSBIMDMSAO-VQIMIIECSA-N 2 1 370.516 4.092 20 0 FIADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663468537 1086572708 /nfs/dbraw/zinc/57/27/08/1086572708.db2.gz LWCVRGLJVHKDQW-OALUTQOASA-N 2 1 351.538 4.045 20 0 FIADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469982 1086575520 /nfs/dbraw/zinc/57/55/20/1086575520.db2.gz SHCQPUDPUWJRFY-UYAOXDASSA-N 2 1 371.569 4.239 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@H]1c1ccccc1 ZINC000583336491 1086576375 /nfs/dbraw/zinc/57/63/75/1086576375.db2.gz OTZGCMTUXWSCEH-HKUYNNGSSA-N 2 1 357.567 4.408 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@H]1c1ccccc1 ZINC000583336491 1086576393 /nfs/dbraw/zinc/57/63/93/1086576393.db2.gz OTZGCMTUXWSCEH-HKUYNNGSSA-N 2 1 357.567 4.408 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 ZINC000583336494 1086576698 /nfs/dbraw/zinc/57/66/98/1086576698.db2.gz OTZGCMTUXWSCEH-PKOBYXMFSA-N 2 1 357.567 4.408 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 ZINC000583336494 1086576709 /nfs/dbraw/zinc/57/67/09/1086576709.db2.gz OTZGCMTUXWSCEH-PKOBYXMFSA-N 2 1 357.567 4.408 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000663475335 1086582275 /nfs/dbraw/zinc/58/22/75/1086582275.db2.gz VTZMWRBXLOSQRJ-ZDUSSCGKSA-N 2 1 360.383 4.445 20 0 FIADMP Nc1cccc2c1cc[nH+]c2NCC1CC[NH+](Cc2cccs2)CC1 ZINC000663477864 1086590368 /nfs/dbraw/zinc/59/03/68/1086590368.db2.gz JOBMXKZJHQWQGK-UHFFFAOYSA-N 2 1 352.507 4.203 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC(C)C)c3ccncc3)CC2)oc1C ZINC000647288668 1086629146 /nfs/dbraw/zinc/62/91/46/1086629146.db2.gz KDWWCUWDIPUCEP-NRFANRHFSA-N 2 1 370.541 4.275 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346045 1086641455 /nfs/dbraw/zinc/64/14/55/1086641455.db2.gz KBBILSAYHZIFME-INIZCTEOSA-N 2 1 362.514 4.145 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346045 1086641458 /nfs/dbraw/zinc/64/14/58/1086641458.db2.gz KBBILSAYHZIFME-INIZCTEOSA-N 2 1 362.514 4.145 20 0 FIADMP C[C@@H]1C[C@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000525641289 1086669268 /nfs/dbraw/zinc/66/92/68/1086669268.db2.gz ICHJBCDEXATZJG-IEBWSBKVSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@@H]1C[C@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641289 1086669269 /nfs/dbraw/zinc/66/92/69/1086669269.db2.gz ICHJBCDEXATZJG-IEBWSBKVSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@@H]1C[C@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641289 1086669272 /nfs/dbraw/zinc/66/92/72/1086669272.db2.gz ICHJBCDEXATZJG-IEBWSBKVSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)C1 ZINC000548794517 1086672000 /nfs/dbraw/zinc/67/20/00/1086672000.db2.gz KDZKWXYFWDUTLN-JQVVWYNYSA-N 2 1 356.554 4.213 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001167834491 1086682521 /nfs/dbraw/zinc/68/25/21/1086682521.db2.gz KPSZLRLRRFLATI-IBGZPJMESA-N 3 1 363.565 4.232 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167837222 1086711279 /nfs/dbraw/zinc/71/12/79/1086711279.db2.gz JOROIKBTWYHZSS-RTBURBONSA-N 2 1 369.594 4.076 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)sc1Br ZINC000512055522 1086717171 /nfs/dbraw/zinc/71/71/71/1086717171.db2.gz DDECMDSVPVCERL-ZYHUDNBSSA-N 2 1 356.333 4.311 20 0 FIADMP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278950466 1086720074 /nfs/dbraw/zinc/72/00/74/1086720074.db2.gz VORPRMOXLNUJNK-HNNXBMFYSA-N 2 1 350.466 4.301 20 0 FIADMP COc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432406965 1086728717 /nfs/dbraw/zinc/72/87/17/1086728717.db2.gz JYTXBMDEGLXHNT-AVRDEDQJSA-N 2 1 360.542 4.017 20 0 FIADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432419913 1086746460 /nfs/dbraw/zinc/74/64/60/1086746460.db2.gz HEDWYOOKQKCZPX-CABCVRRESA-N 2 1 359.341 4.015 20 0 FIADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432419913 1086746466 /nfs/dbraw/zinc/74/64/66/1086746466.db2.gz HEDWYOOKQKCZPX-CABCVRRESA-N 2 1 359.341 4.015 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC001167842370 1086749095 /nfs/dbraw/zinc/74/90/95/1086749095.db2.gz WPVYFNVGUUHCDZ-FYYLOGMGSA-N 2 1 357.586 4.237 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432426088 1086753672 /nfs/dbraw/zinc/75/36/72/1086753672.db2.gz YACSNAJLEVTGSM-GHTZIAJQSA-N 2 1 360.542 4.114 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)C1 ZINC000650706441 1086755263 /nfs/dbraw/zinc/75/52/63/1086755263.db2.gz KOJFAGDMBVZWKY-YVWKXTFCSA-N 2 1 374.525 4.273 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771558 1086798866 /nfs/dbraw/zinc/79/88/66/1086798866.db2.gz CXZHKLKPOZPGPO-FSSWDIPSSA-N 2 1 356.554 4.082 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]CCc3nsc4ccccc34)CC2)cc1 ZINC000657770994 1086808020 /nfs/dbraw/zinc/80/80/20/1086808020.db2.gz XCOZIBIGSQJKPZ-UHFFFAOYSA-N 2 1 351.519 4.093 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCc2c(Cl)cccc2Cl)C1 ZINC000650723701 1086831487 /nfs/dbraw/zinc/83/14/87/1086831487.db2.gz SDAAQVZMRREBFN-CCKFTAQKSA-N 2 1 371.352 4.287 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097865 1086905797 /nfs/dbraw/zinc/90/57/97/1086905797.db2.gz RCPLERQPWSQHOT-ICSRJNTNSA-N 2 1 362.521 4.306 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097865 1086905800 /nfs/dbraw/zinc/90/58/00/1086905800.db2.gz RCPLERQPWSQHOT-ICSRJNTNSA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097865 1086905801 /nfs/dbraw/zinc/90/58/01/1086905801.db2.gz RCPLERQPWSQHOT-ICSRJNTNSA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097865 1086905805 /nfs/dbraw/zinc/90/58/05/1086905805.db2.gz RCPLERQPWSQHOT-ICSRJNTNSA-N 2 1 362.521 4.306 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Br)cc1F ZINC000650754657 1086962744 /nfs/dbraw/zinc/96/27/44/1086962744.db2.gz NVPWSUOXWZVFJJ-SNVBAGLBSA-N 2 1 355.226 4.037 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000151370496 1087097903 /nfs/dbraw/zinc/09/79/03/1087097903.db2.gz CSWTYAWPKFMZBC-OAHLLOKOSA-N 2 1 362.514 4.052 20 0 FIADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000584041233 1087126600 /nfs/dbraw/zinc/12/66/00/1087126600.db2.gz HMFSAXUNOOFTGP-HUUCEWRRSA-N 2 1 371.352 4.315 20 0 FIADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000584041231 1087127220 /nfs/dbraw/zinc/12/72/20/1087127220.db2.gz HMFSAXUNOOFTGP-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000584041231 1087127223 /nfs/dbraw/zinc/12/72/23/1087127223.db2.gz HMFSAXUNOOFTGP-GASCZTMLSA-N 2 1 371.352 4.315 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2cc1OC ZINC000657837232 1087241244 /nfs/dbraw/zinc/24/12/44/1087241244.db2.gz FMHDZDIMDAYRCM-RYGJVYDSSA-N 2 1 354.494 4.134 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2cc1OC ZINC000657837232 1087241252 /nfs/dbraw/zinc/24/12/52/1087241252.db2.gz FMHDZDIMDAYRCM-RYGJVYDSSA-N 2 1 354.494 4.134 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc2c[nH]nc21 ZINC000084047318 1087344988 /nfs/dbraw/zinc/34/49/88/1087344988.db2.gz XWZNDGWBBMZSIG-UHFFFAOYSA-N 2 1 360.461 4.078 20 0 FIADMP Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000091265979 1087426536 /nfs/dbraw/zinc/42/65/36/1087426536.db2.gz FBCHRDXIIGJYMK-QHCPKHFHSA-N 2 1 350.506 4.068 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091333617 1087427844 /nfs/dbraw/zinc/42/78/44/1087427844.db2.gz YPHFVZLKMWIVGD-LJQANCHMSA-N 2 1 371.491 4.020 20 0 FIADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccsc2)cc1 ZINC000685451209 1087571537 /nfs/dbraw/zinc/57/15/37/1087571537.db2.gz FWVZDKBMRWZHQJ-UHFFFAOYSA-N 2 1 355.507 4.436 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)CCCn2ccnc2C)cc1OC ZINC000685462182 1087575026 /nfs/dbraw/zinc/57/50/26/1087575026.db2.gz VMZAMRRLSGWRSK-UHFFFAOYSA-N 2 1 365.905 4.164 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000685462182 1087575027 /nfs/dbraw/zinc/57/50/27/1087575027.db2.gz VMZAMRRLSGWRSK-UHFFFAOYSA-N 2 1 365.905 4.164 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000685462182 1087575029 /nfs/dbraw/zinc/57/50/29/1087575029.db2.gz VMZAMRRLSGWRSK-UHFFFAOYSA-N 2 1 365.905 4.164 20 0 FIADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000685463112 1087575647 /nfs/dbraw/zinc/57/56/47/1087575647.db2.gz GRWNLPSEMQBHSN-PXNSSMCTSA-N 2 1 360.542 4.036 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000685655480 1087660047 /nfs/dbraw/zinc/66/00/47/1087660047.db2.gz RBSSEGSCPUNFKV-PZJWPPBQSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662043 1087666935 /nfs/dbraw/zinc/66/69/35/1087666935.db2.gz YZFGSYGQLKQZHW-KPLVRAHFSA-N 2 1 370.562 4.036 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000658034159 1087703779 /nfs/dbraw/zinc/70/37/79/1087703779.db2.gz COIBQOQUXITMLV-DLBZAZTESA-N 2 1 356.510 4.240 20 0 FIADMP C[C@H]([NH2+]CCc1ccnc2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658128245 1087734209 /nfs/dbraw/zinc/73/42/09/1087734209.db2.gz CCHFXPMRKMXOGU-SIKLNZKXSA-N 2 1 359.517 4.278 20 0 FIADMP CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658137678 1087742324 /nfs/dbraw/zinc/74/23/24/1087742324.db2.gz HXRPQUBAPMNQCG-JPYJTQIMSA-N 2 1 352.522 4.227 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658138001 1087742789 /nfs/dbraw/zinc/74/27/89/1087742789.db2.gz LNTGYYCPKXADNE-LAUBAEHRSA-N 2 1 370.562 4.216 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H](C)C3)C[C@H]2C1 ZINC000424269638 1087891973 /nfs/dbraw/zinc/89/19/73/1087891973.db2.gz PLAIFVIPFKORQO-PHNZBSFLSA-N 2 1 356.554 4.212 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424308347 1087931912 /nfs/dbraw/zinc/93/19/12/1087931912.db2.gz ZVDPDQFIMIUHSP-RRWKQDFOSA-N 2 1 356.554 4.080 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000504896656 1087968657 /nfs/dbraw/zinc/96/86/57/1087968657.db2.gz ZDYQTFLXIBOYHO-AUSIDOKSSA-N 2 1 363.549 4.081 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000311258130 1088473390 /nfs/dbraw/zinc/47/33/90/1088473390.db2.gz MMPRNPYEFMUDGF-HCXYKTFWSA-N 2 1 367.578 4.017 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000311258130 1088473398 /nfs/dbraw/zinc/47/33/98/1088473398.db2.gz MMPRNPYEFMUDGF-HCXYKTFWSA-N 2 1 367.578 4.017 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713576 /nfs/dbraw/zinc/71/35/76/1088713576.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713589 /nfs/dbraw/zinc/71/35/89/1088713589.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713598 /nfs/dbraw/zinc/71/35/98/1088713598.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713610 /nfs/dbraw/zinc/71/36/10/1088713610.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713622 /nfs/dbraw/zinc/71/36/22/1088713622.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713633 /nfs/dbraw/zinc/71/36/33/1088713633.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713641 /nfs/dbraw/zinc/71/36/41/1088713641.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713654 /nfs/dbraw/zinc/71/36/54/1088713654.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000514095663 1088713667 /nfs/dbraw/zinc/71/36/67/1088713667.db2.gz SFAOXJNFKAJOOO-YJSIEXFISA-N 2 1 355.570 4.023 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000514089716 1088734104 /nfs/dbraw/zinc/73/41/04/1088734104.db2.gz RGAKZKJIKVMYEZ-VAMGGRTRSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000514089716 1088734115 /nfs/dbraw/zinc/73/41/15/1088734115.db2.gz RGAKZKJIKVMYEZ-VAMGGRTRSA-N 2 1 355.551 4.232 20 0 FIADMP FC(F)(F)Oc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)c1 ZINC000514101136 1088746361 /nfs/dbraw/zinc/74/63/61/1088746361.db2.gz ZBFWQYCYAFLGGX-SOLBZPMBSA-N 2 1 354.416 4.253 20 0 FIADMP FC(F)(F)Oc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000514101134 1088747081 /nfs/dbraw/zinc/74/70/81/1088747081.db2.gz ZBFWQYCYAFLGGX-LZLYRXPVSA-N 2 1 354.416 4.253 20 0 FIADMP Cc1ccc(C)c(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434753368 1089024898 /nfs/dbraw/zinc/02/48/98/1089024898.db2.gz QJAZRQJKYYHYMJ-UHFFFAOYSA-N 2 1 353.510 4.095 20 0 FIADMP CCn1ccnc1C[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420054 1089635993 /nfs/dbraw/zinc/63/59/93/1089635993.db2.gz APXXAWLGKVWHBB-JOCHJYFZSA-N 2 1 374.532 4.201 20 0 FIADMP CCn1ccnc1C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420054 1089636000 /nfs/dbraw/zinc/63/60/00/1089636000.db2.gz APXXAWLGKVWHBB-JOCHJYFZSA-N 2 1 374.532 4.201 20 0 FIADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414872618 1089891692 /nfs/dbraw/zinc/89/16/92/1089891692.db2.gz FZKZZXVWUXXWKD-DHIUTWEWSA-N 2 1 367.537 4.274 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178255927 1089927707 /nfs/dbraw/zinc/92/77/07/1089927707.db2.gz BJGZWJMJGMTXIZ-AWEZNQCLSA-N 2 1 356.539 4.039 20 0 FIADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000435786996 1089933351 /nfs/dbraw/zinc/93/33/51/1089933351.db2.gz XGULFHMITHRZHK-UHFFFAOYSA-N 2 1 352.526 4.204 20 0 FIADMP CCCCOc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1OC ZINC000182089471 1090040131 /nfs/dbraw/zinc/04/01/31/1090040131.db2.gz UGRDSIPREOEXBC-SFHVURJKSA-N 2 1 371.525 4.062 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000416149775 1090228950 /nfs/dbraw/zinc/22/89/50/1090228950.db2.gz YEIBILLQKBBKDY-NRFANRHFSA-N 2 1 351.494 4.044 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000416149775 1090228954 /nfs/dbraw/zinc/22/89/54/1090228954.db2.gz YEIBILLQKBBKDY-NRFANRHFSA-N 2 1 351.494 4.044 20 0 FIADMP [NH3+]CCC[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000925540489 1090367434 /nfs/dbraw/zinc/36/74/34/1090367434.db2.gz GZTCSZQNCLHVHC-NRFANRHFSA-N 2 1 365.546 4.498 20 0 FIADMP c1nc(C2CC2)oc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000628293228 1090387622 /nfs/dbraw/zinc/38/76/22/1090387622.db2.gz RXLVITFBXGVNHE-UHFFFAOYSA-N 2 1 351.494 4.040 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000312305921 1090527157 /nfs/dbraw/zinc/52/71/57/1090527157.db2.gz ZCKLDHLLWACQOZ-HXUWFJFHSA-N 2 1 373.541 4.485 20 0 FIADMP CC1(C)OCc2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc2O1 ZINC000187429489 1090789654 /nfs/dbraw/zinc/78/96/54/1090789654.db2.gz RUYOSRNQNZDIPQ-UHFFFAOYSA-N 2 1 358.526 4.218 20 0 FIADMP O[C@@H](CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000312570832 1090976067 /nfs/dbraw/zinc/97/60/67/1090976067.db2.gz UUDPJUKYLCANCZ-QHCPKHFHSA-N 2 1 364.533 4.098 20 0 FIADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000388315465 1090985200 /nfs/dbraw/zinc/98/52/00/1090985200.db2.gz KTHFLOKFQRVZBV-GOSISDBHSA-N 2 1 365.908 4.500 20 0 FIADMP CCn1cncc1CNc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000417999899 1091020005 /nfs/dbraw/zinc/02/00/05/1091020005.db2.gz WSGKRVHPCSCCLF-QFIPXVFZSA-N 2 1 370.541 4.295 20 0 FIADMP C[C@H]1C[C@H](NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519709 1091163290 /nfs/dbraw/zinc/16/32/90/1091163290.db2.gz FSMVHZYGHNLXAZ-XUZZJYLKSA-N 2 1 365.565 4.151 20 0 FIADMP Brc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000236699004 1091379257 /nfs/dbraw/zinc/37/92/57/1091379257.db2.gz FXMVAWVCKMMDKF-UHFFFAOYSA-N 2 1 363.299 4.318 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204504 1091909166 /nfs/dbraw/zinc/90/91/66/1091909166.db2.gz UPWKEDIKCWRUBF-MSOLQXFVSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204504 1091909168 /nfs/dbraw/zinc/90/91/68/1091909168.db2.gz UPWKEDIKCWRUBF-MSOLQXFVSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204504 1091909170 /nfs/dbraw/zinc/90/91/70/1091909170.db2.gz UPWKEDIKCWRUBF-MSOLQXFVSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204504 1091909174 /nfs/dbraw/zinc/90/91/74/1091909174.db2.gz UPWKEDIKCWRUBF-MSOLQXFVSA-N 2 1 370.516 4.302 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291895 1092014602 /nfs/dbraw/zinc/01/46/02/1092014602.db2.gz DQDXSTPPZKAXGQ-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291895 1092014612 /nfs/dbraw/zinc/01/46/12/1092014612.db2.gz DQDXSTPPZKAXGQ-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291895 1092014623 /nfs/dbraw/zinc/01/46/23/1092014623.db2.gz DQDXSTPPZKAXGQ-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291895 1092014636 /nfs/dbraw/zinc/01/46/36/1092014636.db2.gz DQDXSTPPZKAXGQ-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP C[C@H]1CC(NCc2cccc(C[NH+](C)C)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012413 1092335837 /nfs/dbraw/zinc/33/58/37/1092335837.db2.gz ZRCKQGVIRGEAFC-PMACEKPBSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@H]1CC([NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168012413 1092335848 /nfs/dbraw/zinc/33/58/48/1092335848.db2.gz ZRCKQGVIRGEAFC-PMACEKPBSA-N 2 1 365.565 4.279 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000520965515 1092390371 /nfs/dbraw/zinc/39/03/71/1092390371.db2.gz DISJNHQZUSASGZ-IBGZPJMESA-N 2 1 362.521 4.278 20 0 FIADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000428248515 1092574511 /nfs/dbraw/zinc/57/45/11/1092574511.db2.gz LXAAIIDQNFNGDM-SESVDKBCSA-N 2 1 355.551 4.232 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514023 1092734353 /nfs/dbraw/zinc/73/43/53/1092734353.db2.gz FVPDYZSUHKLJOK-MAUKXSAKSA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514023 1092734357 /nfs/dbraw/zinc/73/43/57/1092734357.db2.gz FVPDYZSUHKLJOK-MAUKXSAKSA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514023 1092734367 /nfs/dbraw/zinc/73/43/67/1092734367.db2.gz FVPDYZSUHKLJOK-MAUKXSAKSA-N 2 1 361.942 4.380 20 0 FIADMP COc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000047971515 1092742795 /nfs/dbraw/zinc/74/27/95/1092742795.db2.gz ANRWUNIYTQMWCE-UHFFFAOYSA-N 2 1 371.550 4.127 20 0 FIADMP c1cc2cc(CC[NH2+][C@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH]1 ZINC000442820254 1092789718 /nfs/dbraw/zinc/78/97/18/1092789718.db2.gz KFBODLBSQYMZQM-FIXSFTCYSA-N 2 1 359.517 4.211 20 0 FIADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000442861134 1092803658 /nfs/dbraw/zinc/80/36/58/1092803658.db2.gz CZCLFKMHOFOAMQ-LJQANCHMSA-N 2 1 367.537 4.156 20 0 FIADMP Cc1ccc(C)c([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2)c1 ZINC000442893252 1092846395 /nfs/dbraw/zinc/84/63/95/1092846395.db2.gz XFKNQCCJJRLDLJ-QHCPKHFHSA-N 2 1 365.565 4.008 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000521819171 1092937918 /nfs/dbraw/zinc/93/79/18/1092937918.db2.gz VIGYRUBEKUCMKZ-UHFFFAOYSA-N 2 1 364.411 4.123 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000521819171 1092937926 /nfs/dbraw/zinc/93/79/26/1092937926.db2.gz VIGYRUBEKUCMKZ-UHFFFAOYSA-N 2 1 364.411 4.123 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053379 1093153814 /nfs/dbraw/zinc/15/38/14/1093153814.db2.gz DLNHPEXIFYAQAU-HKUYNNGSSA-N 2 1 350.497 4.355 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000433095610 1093249020 /nfs/dbraw/zinc/24/90/20/1093249020.db2.gz DVVIMTSNBBKDEK-ZDUSSCGKSA-N 2 1 368.855 4.409 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC(C)C)cc2)[C@@H](C)C1 ZINC000469787216 1093295989 /nfs/dbraw/zinc/29/59/89/1093295989.db2.gz NXVTZHCUEIOBTF-RXVVDRJESA-N 2 1 364.599 4.414 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000389082517 1093347588 /nfs/dbraw/zinc/34/75/88/1093347588.db2.gz DMSRXISUTXJOCV-UGKGYDQZSA-N 2 1 352.522 4.215 20 0 FIADMP C[C@H](C[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168028051 1093529379 /nfs/dbraw/zinc/52/93/79/1093529379.db2.gz ODKYILOMBLEUOK-UFYCRDLUSA-N 2 1 359.602 4.419 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nc3ccc(OC)cc3s2)c1 ZINC000474361336 1093711905 /nfs/dbraw/zinc/71/19/05/1093711905.db2.gz YMCFHRIQXIIXCC-UHFFFAOYSA-N 2 1 369.534 4.437 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000474424476 1093762276 /nfs/dbraw/zinc/76/22/76/1093762276.db2.gz GJFTUYYEJVFEBR-KBMXLJTQSA-N 2 1 356.341 4.035 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000474424476 1093762282 /nfs/dbraw/zinc/76/22/82/1093762282.db2.gz GJFTUYYEJVFEBR-KBMXLJTQSA-N 2 1 356.341 4.035 20 0 FIADMP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927658 1093829980 /nfs/dbraw/zinc/82/99/80/1093829980.db2.gz JRNXBRMZARMPBR-PKTZIBPZSA-N 2 1 354.538 4.029 20 0 FIADMP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927658 1093829987 /nfs/dbraw/zinc/82/99/87/1093829987.db2.gz JRNXBRMZARMPBR-PKTZIBPZSA-N 2 1 354.538 4.029 20 0 FIADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000513340045 1094066021 /nfs/dbraw/zinc/06/60/21/1094066021.db2.gz GNAGGZSLMGIGDG-VJBMBRPKSA-N 2 1 351.538 4.464 20 0 FIADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000513340045 1094066028 /nfs/dbraw/zinc/06/60/28/1094066028.db2.gz GNAGGZSLMGIGDG-VJBMBRPKSA-N 2 1 351.538 4.464 20 0 FIADMP Cc1ccc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000513439569 1094126619 /nfs/dbraw/zinc/12/66/19/1094126619.db2.gz PNUTYQKFYVZYEV-UHFFFAOYSA-N 2 1 357.567 4.219 20 0 FIADMP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000513501496 1094175038 /nfs/dbraw/zinc/17/50/38/1094175038.db2.gz SXWIVGYXQSOPIV-UYAOXDASSA-N 2 1 368.521 4.094 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000513667393 1094263005 /nfs/dbraw/zinc/26/30/05/1094263005.db2.gz RGQUCOJHSLSMDZ-RMRNXIRCSA-N 2 1 370.581 4.470 20 0 FIADMP CC(C)[N@H+](C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168037174 1094346778 /nfs/dbraw/zinc/34/67/78/1094346778.db2.gz XCRDOJRQEMMQHA-UGESXGAOSA-N 2 1 357.586 4.408 20 0 FIADMP CC(C)[N@@H+](C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168037174 1094346790 /nfs/dbraw/zinc/34/67/90/1094346790.db2.gz XCRDOJRQEMMQHA-UGESXGAOSA-N 3 1 357.586 4.408 20 0 FIADMP CC(C)[N@H+](C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168037174 1094346815 /nfs/dbraw/zinc/34/68/15/1094346815.db2.gz XCRDOJRQEMMQHA-UGESXGAOSA-N 3 1 357.586 4.408 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000513698101 1094360561 /nfs/dbraw/zinc/36/05/61/1094360561.db2.gz WMFWQPFZIYRRRB-RCCFBDPRSA-N 2 1 368.468 4.039 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000513702609 1094382851 /nfs/dbraw/zinc/38/28/51/1094382851.db2.gz KSVIGYGBWSJWHU-UHFFFAOYSA-N 2 1 365.521 4.178 20 0 FIADMP CC(C)c1ccc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500992776 1094409130 /nfs/dbraw/zinc/40/91/30/1094409130.db2.gz PKUWLVHVORXHED-HSZRJFAPSA-N 2 1 357.586 4.363 20 0 FIADMP C[N@@H+](CCSc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501074136 1094493046 /nfs/dbraw/zinc/49/30/46/1094493046.db2.gz BVLVDSYXJSQXLV-UHFFFAOYSA-N 2 1 359.514 4.161 20 0 FIADMP Cc1cccc2nc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)cn21 ZINC000513708851 1094552397 /nfs/dbraw/zinc/55/23/97/1094552397.db2.gz YFPOWIWRALIJCO-UHFFFAOYSA-N 2 1 362.521 4.176 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000453405420 1094575251 /nfs/dbraw/zinc/57/52/51/1094575251.db2.gz SLMZJBPADPCBGG-BUKVSMQUSA-N 2 1 356.485 4.190 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000453405420 1094575262 /nfs/dbraw/zinc/57/52/62/1094575262.db2.gz SLMZJBPADPCBGG-BUKVSMQUSA-N 2 1 356.485 4.190 20 0 FIADMP O[C@@H]1CC[N@H+](Cc2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)C1 ZINC000664238656 1094614108 /nfs/dbraw/zinc/61/41/08/1094614108.db2.gz JFDVNJRDGJQYHC-GOSISDBHSA-N 2 1 367.880 4.067 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)C1 ZINC000664238656 1094614114 /nfs/dbraw/zinc/61/41/14/1094614114.db2.gz JFDVNJRDGJQYHC-GOSISDBHSA-N 2 1 367.880 4.067 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000474797346 1094615757 /nfs/dbraw/zinc/61/57/57/1094615757.db2.gz ZCTXHPASSOINBR-BHYGNILZSA-N 2 1 370.990 4.373 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474792644 1094627926 /nfs/dbraw/zinc/62/79/26/1094627926.db2.gz MIOHXDKXDPSGSJ-IAGOWNOFSA-N 2 1 352.950 4.311 20 0 FIADMP Fc1ccc(C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404007 1094697715 /nfs/dbraw/zinc/69/77/15/1094697715.db2.gz FDRAPBHRRPYMRL-NHCUHLMSSA-N 2 1 356.460 4.313 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389222017 1094700187 /nfs/dbraw/zinc/70/01/87/1094700187.db2.gz WSEUTXIJKFPMOL-JBACZVJFSA-N 2 1 350.506 4.053 20 0 FIADMP Cc1nc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000420316160 1094880248 /nfs/dbraw/zinc/88/02/48/1094880248.db2.gz XZETYZARHDLIOK-QXRTWZOPSA-N 2 1 359.901 4.424 20 0 FIADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420325005 1094889732 /nfs/dbraw/zinc/88/97/32/1094889732.db2.gz VXLMYNCVHAROPG-AWEZNQCLSA-N 2 1 372.340 4.034 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)nc3ccccc23)CC1 ZINC000501792190 1094925298 /nfs/dbraw/zinc/92/52/98/1094925298.db2.gz CKNCHFZMQZEDPY-UHFFFAOYSA-N 2 1 369.553 4.114 20 0 FIADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000502059015 1095076873 /nfs/dbraw/zinc/07/68/73/1095076873.db2.gz VHRQNFNWRLLPCZ-OFNKIYASSA-N 2 1 374.569 4.235 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)C1 ZINC000502278020 1095296163 /nfs/dbraw/zinc/29/61/63/1095296163.db2.gz SSTOXVIQWUTIBB-DENIHFKCSA-N 2 1 356.554 4.357 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1F ZINC000280897476 1095452287 /nfs/dbraw/zinc/45/22/87/1095452287.db2.gz PLPRJXMKNSJTIW-OAQYLSRUSA-N 2 1 350.441 4.346 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3cccnc3)C3CCC3)CC2)oc1C ZINC000281027681 1095472542 /nfs/dbraw/zinc/47/25/42/1095472542.db2.gz ZXEDRIOCUXFTRV-JOCHJYFZSA-N 2 1 368.525 4.029 20 0 FIADMP Cc1nccn1CCCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000502691840 1095706441 /nfs/dbraw/zinc/70/64/41/1095706441.db2.gz LLJAGOHGPFMSLE-UHFFFAOYSA-N 2 1 362.315 4.399 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000502691840 1095706449 /nfs/dbraw/zinc/70/64/49/1095706449.db2.gz LLJAGOHGPFMSLE-UHFFFAOYSA-N 2 1 362.315 4.399 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000502691840 1095706456 /nfs/dbraw/zinc/70/64/56/1095706456.db2.gz LLJAGOHGPFMSLE-UHFFFAOYSA-N 2 1 362.315 4.399 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709341 1095748177 /nfs/dbraw/zinc/74/81/77/1095748177.db2.gz WQSFRXCGLWHSJF-FPOVZHCZSA-N 2 1 366.553 4.213 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709341 1095748190 /nfs/dbraw/zinc/74/81/90/1095748190.db2.gz WQSFRXCGLWHSJF-FPOVZHCZSA-N 2 1 366.553 4.213 20 0 FIADMP COc1ccc(OC)c(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000513755866 1095896985 /nfs/dbraw/zinc/89/69/85/1095896985.db2.gz USIWIMGYOUGKPT-UHFFFAOYSA-N 2 1 368.521 4.237 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421820814 1095934361 /nfs/dbraw/zinc/93/43/61/1095934361.db2.gz NZIKAHSCYCGHIP-INIZCTEOSA-N 2 1 361.917 4.306 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccc(F)cc3Cl)CC2)[nH+]c1 ZINC000421829318 1095942305 /nfs/dbraw/zinc/94/23/05/1095942305.db2.gz HLMWHLWRNNOKEZ-HNNXBMFYSA-N 2 1 361.892 4.372 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503074467 1096051396 /nfs/dbraw/zinc/05/13/96/1096051396.db2.gz KXUDUHLIHCNTJH-MRXNPFEDSA-N 2 1 368.308 4.432 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503074467 1096051407 /nfs/dbraw/zinc/05/14/07/1096051407.db2.gz KXUDUHLIHCNTJH-MRXNPFEDSA-N 2 1 368.308 4.432 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000422760733 1096476125 /nfs/dbraw/zinc/47/61/25/1096476125.db2.gz LFLUPUXOKWAHJG-ROUUACIJSA-N 2 1 366.553 4.163 20 0 FIADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422747206 1096480360 /nfs/dbraw/zinc/48/03/60/1096480360.db2.gz PMCLBCJLKAMUGC-YJSIEXFISA-N 2 1 355.570 4.112 20 0 FIADMP c1ccc([C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccn2)cc1 ZINC000422763536 1096492399 /nfs/dbraw/zinc/49/23/99/1096492399.db2.gz OUSCXBVQMRUANK-OEMFJLHTSA-N 2 1 371.484 4.017 20 0 FIADMP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1nc(C(F)(F)F)cs1 ZINC000422807189 1096496345 /nfs/dbraw/zinc/49/63/45/1096496345.db2.gz JGMADQIFPMYPMZ-MFKMUULPSA-N 2 1 358.433 4.126 20 0 FIADMP CC1CC[NH+](CCc2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000503663795 1096514334 /nfs/dbraw/zinc/51/43/34/1096514334.db2.gz QRFRTOXHPGTGSX-QFIPXVFZSA-N 2 1 371.569 4.164 20 0 FIADMP Clc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)s1 ZINC000422999007 1096546692 /nfs/dbraw/zinc/54/66/92/1096546692.db2.gz XKZPGAGOINAEAZ-DYVFJYSZSA-N 2 1 369.317 4.400 20 0 FIADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1Cl ZINC000423019247 1096549973 /nfs/dbraw/zinc/54/99/73/1096549973.db2.gz UVENXWIRLXGPFC-SEVLPDGMSA-N 2 1 374.887 4.392 20 0 FIADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1Cl ZINC000423019245 1096550726 /nfs/dbraw/zinc/55/07/26/1096550726.db2.gz UVENXWIRLXGPFC-FIRPJDEBSA-N 2 1 374.887 4.392 20 0 FIADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423035779 1096556356 /nfs/dbraw/zinc/55/63/56/1096556356.db2.gz KEULWUJUNOUEQR-KWBADKCTSA-N 2 1 353.226 4.158 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423040177 1096557486 /nfs/dbraw/zinc/55/74/86/1096557486.db2.gz GTVUZRFKYOVLKT-CYBMUJFWSA-N 2 1 351.498 4.206 20 0 FIADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423041819 1096558604 /nfs/dbraw/zinc/55/86/04/1096558604.db2.gz JWZWIOCQPCPMCZ-DVOMOZLQSA-N 2 1 360.468 4.024 20 0 FIADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423052682 1096564997 /nfs/dbraw/zinc/56/49/97/1096564997.db2.gz RBDKZQCXJQREKU-XYPHTWIQSA-N 2 1 359.514 4.304 20 0 FIADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092269 1096572110 /nfs/dbraw/zinc/57/21/10/1096572110.db2.gz BEOPSRGASPKQHZ-JRJVTICQSA-N 2 1 362.439 4.500 20 0 FIADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423106071 1096583509 /nfs/dbraw/zinc/58/35/09/1096583509.db2.gz OEUDJTHNNIOJMK-SSKFGXFMSA-N 2 1 372.940 4.356 20 0 FIADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423111249 1096584349 /nfs/dbraw/zinc/58/43/49/1096584349.db2.gz QKCAQONPRPWTKA-OYTPZHDJSA-N 2 1 364.533 4.421 20 0 FIADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)c2ccccc21 ZINC000423148077 1096586840 /nfs/dbraw/zinc/58/68/40/1096586840.db2.gz FFEHFQJSECUIKJ-ZACQAIPSSA-N 2 1 361.258 4.310 20 0 FIADMP C[C@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H]1C[NH3+] ZINC000414719004 1096588720 /nfs/dbraw/zinc/58/87/20/1096588720.db2.gz XENLKYXWYFLUOU-UWJYYQICSA-N 2 1 372.557 4.042 20 0 FIADMP c1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2nc3ccccc3s2)cc1 ZINC000423156095 1096590207 /nfs/dbraw/zinc/59/02/07/1096590207.db2.gz MBRRIHSWZOSBPY-NHJHPMQKSA-N 2 1 363.530 4.453 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)sc1Br ZINC000423192697 1096613063 /nfs/dbraw/zinc/61/30/63/1096613063.db2.gz VTYQRWGGPJAJNG-CYBMUJFWSA-N 2 1 368.344 4.045 20 0 FIADMP CC[C@@H](C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000414723835 1096615232 /nfs/dbraw/zinc/61/52/32/1096615232.db2.gz QNLWZIAEXPSEMJ-HKUYNNGSSA-N 2 1 355.551 4.281 20 0 FIADMP Brc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423215068 1096619290 /nfs/dbraw/zinc/61/92/90/1096619290.db2.gz QCWIJECCRFLIRU-BEFAXECRSA-N 2 1 359.311 4.128 20 0 FIADMP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423215069 1096619546 /nfs/dbraw/zinc/61/95/46/1096619546.db2.gz QCWIJECCRFLIRU-DNVCBOLYSA-N 2 1 359.311 4.128 20 0 FIADMP COc1ccc(C[C@H]([NH2+]CC2C[NH2+]C2)c2cc(Cl)ccc2Cl)cc1 ZINC000423308342 1096639949 /nfs/dbraw/zinc/63/99/49/1096639949.db2.gz XMVLDBMJBQWAFA-IBGZPJMESA-N 2 1 365.304 4.095 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423336270 1096649969 /nfs/dbraw/zinc/64/99/69/1096649969.db2.gz ULYPDGXJQVMRCF-MRXNPFEDSA-N 2 1 362.477 4.327 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000423358206 1096656253 /nfs/dbraw/zinc/65/62/53/1096656253.db2.gz BKFLMFSLUBOJFE-UUIWEUTOSA-N 2 1 371.475 4.121 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000423379378 1096660377 /nfs/dbraw/zinc/66/03/77/1096660377.db2.gz XKQRNUITONYMKA-LOUJCGABSA-N 2 1 362.386 4.121 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000423379377 1096660594 /nfs/dbraw/zinc/66/05/94/1096660594.db2.gz XKQRNUITONYMKA-FHIRATQRSA-N 2 1 362.386 4.121 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000423392985 1096663380 /nfs/dbraw/zinc/66/33/80/1096663380.db2.gz XYNZMSLHGUYRNN-CKYFFXLPSA-N 2 1 365.237 4.259 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423397682 1096665852 /nfs/dbraw/zinc/66/58/52/1096665852.db2.gz OJAGICSHNGOFOV-ZMYBRWDISA-N 2 1 359.311 4.126 20 0 FIADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cc1F ZINC000423507599 1096702289 /nfs/dbraw/zinc/70/22/89/1096702289.db2.gz JQWZAVXPXVXEIP-LRDDRELGSA-N 2 1 366.278 4.114 20 0 FIADMP Cc1c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000423496480 1096708265 /nfs/dbraw/zinc/70/82/65/1096708265.db2.gz DZAKSCRMHTZYSN-UTKZUKDTSA-N 2 1 363.509 4.015 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423511705 1096709742 /nfs/dbraw/zinc/70/97/42/1096709742.db2.gz NYFFTAXPPZNEEA-VHYCJAOWSA-N 3 1 365.565 4.499 20 0 FIADMP C[C@@H](CCO)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000515439749 1098578952 /nfs/dbraw/zinc/57/89/52/1098578952.db2.gz LNMSXCCWYGTFNZ-KPQWGBOZSA-N 2 1 358.570 4.208 20 0 FIADMP COc1ccc(-c2nc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cs2)cc1 ZINC000666754609 1098714611 /nfs/dbraw/zinc/71/46/11/1098714611.db2.gz ZPPFGPIWLLSZDJ-CQSZACIVSA-N 2 1 353.491 4.128 20 0 FIADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533075674 1098741425 /nfs/dbraw/zinc/74/14/25/1098741425.db2.gz WZNJINPVDNNXRH-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533075674 1098741441 /nfs/dbraw/zinc/74/14/41/1098741441.db2.gz WZNJINPVDNNXRH-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000533075674 1098741456 /nfs/dbraw/zinc/74/14/56/1098741456.db2.gz WZNJINPVDNNXRH-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080374 1098749717 /nfs/dbraw/zinc/74/97/17/1098749717.db2.gz MHLXUNYNFUTFKB-LSWJPFSZSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080374 1098749735 /nfs/dbraw/zinc/74/97/35/1098749735.db2.gz MHLXUNYNFUTFKB-LSWJPFSZSA-N 2 1 366.505 4.162 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)CCCC2)CC1 ZINC000436252262 1098866920 /nfs/dbraw/zinc/86/69/20/1098866920.db2.gz LCQACTFBICXWCV-NHCUHLMSSA-N 2 1 356.554 4.336 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)CCCC2)CC1 ZINC000436254922 1098869523 /nfs/dbraw/zinc/86/95/23/1098869523.db2.gz VJGGBZDPSJJOCD-YADHBBJMSA-N 2 1 370.581 4.411 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288029 1098903380 /nfs/dbraw/zinc/90/33/80/1098903380.db2.gz DNISEZHZTMEHJA-OXJNMPFZSA-N 2 1 366.534 4.281 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288029 1098903384 /nfs/dbraw/zinc/90/33/84/1098903384.db2.gz DNISEZHZTMEHJA-OXJNMPFZSA-N 2 1 366.534 4.281 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288026 1098903958 /nfs/dbraw/zinc/90/39/58/1098903958.db2.gz DNISEZHZTMEHJA-JXFKEZNVSA-N 2 1 366.534 4.281 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288026 1098903960 /nfs/dbraw/zinc/90/39/60/1098903960.db2.gz DNISEZHZTMEHJA-JXFKEZNVSA-N 2 1 366.534 4.281 20 0 FIADMP CCC[N@H+](Cc1cc(F)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533380783 1098997615 /nfs/dbraw/zinc/99/76/15/1098997615.db2.gz ATFKVTMERMQQKY-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@@H+](Cc1cc(F)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533380783 1098997623 /nfs/dbraw/zinc/99/76/23/1098997623.db2.gz ATFKVTMERMQQKY-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@H+](Cc1ccc(F)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533516994 1099121243 /nfs/dbraw/zinc/12/12/43/1099121243.db2.gz AEKLGNXTRKCOFD-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@@H+](Cc1ccc(F)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533516994 1099121252 /nfs/dbraw/zinc/12/12/52/1099121252.db2.gz AEKLGNXTRKCOFD-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP Cc1ccncc1CCC[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000516116561 1099197259 /nfs/dbraw/zinc/19/72/59/1099197259.db2.gz NMGKSZLAUGERFB-HXUWFJFHSA-N 2 1 351.538 4.487 20 0 FIADMP COCCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000287666105 1099325328 /nfs/dbraw/zinc/32/53/28/1099325328.db2.gz VPLXJKAJZMFPKG-HOJAQTOUSA-N 2 1 350.934 4.067 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000248442116 1099403142 /nfs/dbraw/zinc/40/31/42/1099403142.db2.gz KOWLWPCNCMFEAV-UQASEVPWSA-N 2 1 371.550 4.440 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000248442116 1099403160 /nfs/dbraw/zinc/40/31/60/1099403160.db2.gz KOWLWPCNCMFEAV-UQASEVPWSA-N 2 1 371.550 4.440 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000067691521 1099488418 /nfs/dbraw/zinc/48/84/18/1099488418.db2.gz WFOUENVYBXFEOT-HXUWFJFHSA-N 2 1 367.537 4.262 20 0 FIADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cc(F)ccc1F ZINC000162251335 1099657688 /nfs/dbraw/zinc/65/76/88/1099657688.db2.gz MJYFGQCIGPRNCC-LJQANCHMSA-N 2 1 360.452 4.081 20 0 FIADMP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000611471297 1099687156 /nfs/dbraw/zinc/68/71/56/1099687156.db2.gz NUTINMHVTBOCDA-PKOBYXMFSA-N 2 1 353.510 4.307 20 0 FIADMP CCCCC/C(=C/c1ccccc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000506012106 1099766295 /nfs/dbraw/zinc/76/62/95/1099766295.db2.gz JTZGUECOHYSFAL-FLFQWRMESA-N 2 1 369.597 4.364 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692885 1099826971 /nfs/dbraw/zinc/82/69/71/1099826971.db2.gz BPZUNCCJIVRRJS-HBFSDRIKSA-N 2 1 356.485 4.093 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508698581 1099830813 /nfs/dbraw/zinc/83/08/13/1099830813.db2.gz PFBMYGOQBZXOLX-AZUAARDMSA-N 2 1 357.567 4.274 20 0 FIADMP C[C@@H]([NH2+]CCc1cccc2cccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700789 1099855466 /nfs/dbraw/zinc/85/54/66/1099855466.db2.gz RJNFXKMFCMUMDV-XXBNENTESA-N 2 1 359.517 4.278 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702104 1099858617 /nfs/dbraw/zinc/85/86/17/1099858617.db2.gz YNXRTPFAKIXUMC-HBFSDRIKSA-N 2 1 356.485 4.093 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709810 1099900645 /nfs/dbraw/zinc/90/06/45/1099900645.db2.gz JOMTZMFQRRLSSA-RDPSFJRHSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709810 1099900647 /nfs/dbraw/zinc/90/06/47/1099900647.db2.gz JOMTZMFQRRLSSA-RDPSFJRHSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709810 1099900651 /nfs/dbraw/zinc/90/06/51/1099900651.db2.gz JOMTZMFQRRLSSA-RDPSFJRHSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709810 1099900658 /nfs/dbraw/zinc/90/06/58/1099900658.db2.gz JOMTZMFQRRLSSA-RDPSFJRHSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709810 1099900659 /nfs/dbraw/zinc/90/06/59/1099900659.db2.gz JOMTZMFQRRLSSA-RDPSFJRHSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709810 1099900660 /nfs/dbraw/zinc/90/06/60/1099900660.db2.gz JOMTZMFQRRLSSA-RDPSFJRHSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709810 1099900663 /nfs/dbraw/zinc/90/06/63/1099900663.db2.gz JOMTZMFQRRLSSA-RDPSFJRHSA-N 2 1 365.565 4.139 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508711065 1099903083 /nfs/dbraw/zinc/90/30/83/1099903083.db2.gz OBHACPIRMGCZSK-NNMXDRDESA-N 2 1 352.522 4.126 20 0 FIADMP C[C@H](NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716219 1099913083 /nfs/dbraw/zinc/91/30/83/1099913083.db2.gz KIZRRCNBGQWJAJ-REWPJTCUSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716219 1099913088 /nfs/dbraw/zinc/91/30/88/1099913088.db2.gz KIZRRCNBGQWJAJ-REWPJTCUSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716219 1099913089 /nfs/dbraw/zinc/91/30/89/1099913089.db2.gz KIZRRCNBGQWJAJ-REWPJTCUSA-N 3 1 369.597 4.141 20 0 FIADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721165 1099939540 /nfs/dbraw/zinc/93/95/40/1099939540.db2.gz UANVVRIKQWTLBG-UCNVEGJOSA-N 2 1 356.485 4.013 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4cc(F)ccc4C[C@@H]3C)CC2)oc1C ZINC000162797163 1100001954 /nfs/dbraw/zinc/00/19/54/1100001954.db2.gz JJFYXHRCOWOTCH-RCDICMHDSA-N 2 1 371.500 4.166 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459397566 1100123260 /nfs/dbraw/zinc/12/32/60/1100123260.db2.gz WURXRCDRIDNVEY-NHCUHLMSSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459397566 1100123270 /nfs/dbraw/zinc/12/32/70/1100123270.db2.gz WURXRCDRIDNVEY-NHCUHLMSSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459397566 1100123280 /nfs/dbraw/zinc/12/32/80/1100123280.db2.gz WURXRCDRIDNVEY-NHCUHLMSSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccccc1/C=C/CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673994 1100161165 /nfs/dbraw/zinc/16/11/65/1100161165.db2.gz IZXRIRAWACNKRJ-HSRJRILOSA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C/C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673994 1100161172 /nfs/dbraw/zinc/16/11/72/1100161172.db2.gz IZXRIRAWACNKRJ-HSRJRILOSA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C/C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673994 1100161188 /nfs/dbraw/zinc/16/11/88/1100161188.db2.gz IZXRIRAWACNKRJ-HSRJRILOSA-N 2 1 350.506 4.162 20 0 FIADMP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(Cl)c1O ZINC000459462305 1100207004 /nfs/dbraw/zinc/20/70/04/1100207004.db2.gz KUFXOCMCFVMZIA-GOEBONIOSA-N 2 1 366.933 4.187 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC000536713245 1100214687 /nfs/dbraw/zinc/21/46/87/1100214687.db2.gz MCZWFHSEWKMLTB-JOCHJYFZSA-N 2 1 353.485 4.447 20 0 FIADMP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000517257959 1100231822 /nfs/dbraw/zinc/23/18/22/1100231822.db2.gz MMALHXFCKPATRN-KRWDZBQOSA-N 2 1 351.966 4.014 20 0 FIADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000517257959 1100231828 /nfs/dbraw/zinc/23/18/28/1100231828.db2.gz MMALHXFCKPATRN-KRWDZBQOSA-N 2 1 351.966 4.014 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000459519583 1100258131 /nfs/dbraw/zinc/25/81/31/1100258131.db2.gz GKLFTWSCVKGJGW-KRWDZBQOSA-N 2 1 353.432 4.228 20 0 FIADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000536824407 1100340666 /nfs/dbraw/zinc/34/06/66/1100340666.db2.gz BIZCMEUPTOKEJU-XXBNENTESA-N 2 1 368.569 4.382 20 0 FIADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000536824407 1100340679 /nfs/dbraw/zinc/34/06/79/1100340679.db2.gz BIZCMEUPTOKEJU-XXBNENTESA-N 2 1 368.569 4.382 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425939194 1100362580 /nfs/dbraw/zinc/36/25/80/1100362580.db2.gz ZDZXFOUBSIDOLJ-WIYYLYMNSA-N 2 1 357.929 4.340 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1Br ZINC000536850691 1100364229 /nfs/dbraw/zinc/36/42/29/1100364229.db2.gz GKNFSRRBLZOVRZ-CXAGYDPISA-N 2 1 350.304 4.331 20 0 FIADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000536870783 1100387836 /nfs/dbraw/zinc/38/78/36/1100387836.db2.gz QGZQRJIZORSALL-SUMWQHHRSA-N 2 1 350.304 4.331 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000536875012 1100397438 /nfs/dbraw/zinc/39/74/38/1100397438.db2.gz GPVBCVYDKCMWIM-MAUKXSAKSA-N 2 1 373.368 4.263 20 0 FIADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414921851 1100417550 /nfs/dbraw/zinc/41/75/50/1100417550.db2.gz FAJSFYGOSPRUCQ-ZNEWLNCYSA-N 2 1 361.533 4.146 20 0 FIADMP CN(Cc1cc2c(cccc2F)[nH]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112014 1100437262 /nfs/dbraw/zinc/43/72/62/1100437262.db2.gz XYYRDBFXAAPAFS-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112014 1100437281 /nfs/dbraw/zinc/43/72/81/1100437281.db2.gz XYYRDBFXAAPAFS-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112014 1100437299 /nfs/dbraw/zinc/43/72/99/1100437299.db2.gz XYYRDBFXAAPAFS-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438112014 1100437309 /nfs/dbraw/zinc/43/73/09/1100437309.db2.gz XYYRDBFXAAPAFS-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112014 1100437320 /nfs/dbraw/zinc/43/73/20/1100437320.db2.gz XYYRDBFXAAPAFS-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1ccccc1OCc1ccncc1)C1CCCCC1 ZINC000517525256 1100452765 /nfs/dbraw/zinc/45/27/65/1100452765.db2.gz IPIHVNTYEPGCNR-UHFFFAOYSA-N 2 1 367.537 4.405 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1ccccc1OCc1ccncc1)C1CCCCC1 ZINC000517525256 1100452771 /nfs/dbraw/zinc/45/27/71/1100452771.db2.gz IPIHVNTYEPGCNR-UHFFFAOYSA-N 2 1 367.537 4.405 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000517535592 1100473592 /nfs/dbraw/zinc/47/35/92/1100473592.db2.gz JTURDHIOZBHMKH-QZTJIDSGSA-N 2 1 366.505 4.183 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000517552684 1100479474 /nfs/dbraw/zinc/47/94/74/1100479474.db2.gz XTGVWYQSHILJIM-UHFFFAOYSA-N 2 1 355.869 4.214 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000438189443 1100501389 /nfs/dbraw/zinc/50/13/89/1100501389.db2.gz KPGMLAPJYHKYJU-FCJDFRRUSA-N 2 1 358.570 4.223 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000425968203 1100545769 /nfs/dbraw/zinc/54/57/69/1100545769.db2.gz RAQAABYWPCDARG-KRWDZBQOSA-N 2 1 366.431 4.012 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000425968203 1100545784 /nfs/dbraw/zinc/54/57/84/1100545784.db2.gz RAQAABYWPCDARG-KRWDZBQOSA-N 2 1 366.431 4.012 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000425968204 1100546944 /nfs/dbraw/zinc/54/69/44/1100546944.db2.gz RAQAABYWPCDARG-QGZVFWFLSA-N 2 1 366.431 4.012 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000425968204 1100546955 /nfs/dbraw/zinc/54/69/55/1100546955.db2.gz RAQAABYWPCDARG-QGZVFWFLSA-N 2 1 366.431 4.012 20 0 FIADMP Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc2c1 ZINC000426049729 1100716202 /nfs/dbraw/zinc/71/62/02/1100716202.db2.gz JWPSMBGIEFOEFI-UTKZUKDTSA-N 2 1 364.489 4.159 20 0 FIADMP Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)oc2c1 ZINC000426049726 1100716377 /nfs/dbraw/zinc/71/63/77/1100716377.db2.gz JWPSMBGIEFOEFI-DYESRHJHSA-N 2 1 364.489 4.159 20 0 FIADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968730 1100838970 /nfs/dbraw/zinc/83/89/70/1100838970.db2.gz HJJVUKPKTQVCLH-HXUWFJFHSA-N 2 1 370.562 4.075 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)c2cccc(Br)c2)CC1 ZINC000506381718 1100947311 /nfs/dbraw/zinc/94/73/11/1100947311.db2.gz OOFCYETZEVEHID-HNNXBMFYSA-N 2 1 353.348 4.357 20 0 FIADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414963177 1100998430 /nfs/dbraw/zinc/99/84/30/1100998430.db2.gz CTCZFTGZKFCEBV-IBGZPJMESA-N 2 1 371.912 4.070 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474821 1101110509 /nfs/dbraw/zinc/11/05/09/1101110509.db2.gz PXTYZQOUHOMEBV-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474821 1101110511 /nfs/dbraw/zinc/11/05/11/1101110511.db2.gz PXTYZQOUHOMEBV-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474821 1101110515 /nfs/dbraw/zinc/11/05/15/1101110515.db2.gz PXTYZQOUHOMEBV-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474821 1101110520 /nfs/dbraw/zinc/11/05/20/1101110520.db2.gz PXTYZQOUHOMEBV-AEFFLSMTSA-N 2 1 352.469 4.374 20 0 FIADMP COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963748 1101203981 /nfs/dbraw/zinc/20/39/81/1101203981.db2.gz CGVYFFWRYURRSX-AZCLRUCKSA-N 2 1 367.537 4.118 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H]1OCCc2sccc21 ZINC000426304171 1101237700 /nfs/dbraw/zinc/23/77/00/1101237700.db2.gz BWNFOHQAKVCXDV-JIYIMXKPSA-N 2 1 362.583 4.383 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H]1OCCc2sccc21 ZINC000426348253 1101329131 /nfs/dbraw/zinc/32/91/31/1101329131.db2.gz YLGKHZZRXGAWQM-DCTVWTRXSA-N 2 1 362.583 4.383 20 0 FIADMP Clc1cnc2oc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000648438523 1101340690 /nfs/dbraw/zinc/34/06/90/1101340690.db2.gz XXWAPALVMPWDSD-KRWDZBQOSA-N 2 1 369.896 4.483 20 0 FIADMP Clc1cnc2oc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000648438523 1101340705 /nfs/dbraw/zinc/34/07/05/1101340705.db2.gz XXWAPALVMPWDSD-KRWDZBQOSA-N 2 1 369.896 4.483 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459722399 1101344540 /nfs/dbraw/zinc/34/45/40/1101344540.db2.gz BFZMZLRXHGOEMP-GOSISDBHSA-N 2 1 374.960 4.023 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C)c(C)cc2C)CC1 ZINC000518761384 1101532988 /nfs/dbraw/zinc/53/29/88/1101532988.db2.gz RABCQOLZVSSQMP-UHFFFAOYSA-N 2 1 365.565 4.039 20 0 FIADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)c(-c2ccccc2)cc1OC ZINC000518770539 1101548491 /nfs/dbraw/zinc/54/84/91/1101548491.db2.gz PHJYSWRUVRAKJK-UHFFFAOYSA-N 2 1 356.510 4.191 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000537205213 1101559654 /nfs/dbraw/zinc/55/96/54/1101559654.db2.gz ARBFLELHYLKJKG-UHFFFAOYSA-N 2 1 363.977 4.492 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000182097762 1101598256 /nfs/dbraw/zinc/59/82/56/1101598256.db2.gz KOWLWPCNCMFEAV-XERREHJYSA-N 2 1 371.550 4.440 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000182097762 1101598267 /nfs/dbraw/zinc/59/82/67/1101598267.db2.gz KOWLWPCNCMFEAV-XERREHJYSA-N 2 1 371.550 4.440 20 0 FIADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000506675720 1101765229 /nfs/dbraw/zinc/76/52/29/1101765229.db2.gz QBIQNSYXIRZNDP-UHFFFAOYSA-N 2 1 356.485 4.321 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000506675720 1101765238 /nfs/dbraw/zinc/76/52/38/1101765238.db2.gz QBIQNSYXIRZNDP-UHFFFAOYSA-N 2 1 356.485 4.321 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1C(F)(F)F ZINC001167965343 1101830505 /nfs/dbraw/zinc/83/05/05/1101830505.db2.gz BPJICWDRTQYSBO-ALOPSCKCSA-N 2 1 368.443 4.209 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000415006701 1101914076 /nfs/dbraw/zinc/91/40/76/1101914076.db2.gz QQEDQRSRAXGLRJ-APWZRJJASA-N 2 1 359.514 4.033 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000397997787 1101957927 /nfs/dbraw/zinc/95/79/27/1101957927.db2.gz CNZQWDMXYACBMO-BBTUJRGHSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000397997787 1101957935 /nfs/dbraw/zinc/95/79/35/1101957935.db2.gz CNZQWDMXYACBMO-BBTUJRGHSA-N 2 1 368.521 4.265 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648506066 1102296706 /nfs/dbraw/zinc/29/67/06/1102296706.db2.gz QJDFWGKNZYGZFL-WBVHZDCISA-N 2 1 369.896 4.481 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648506066 1102296719 /nfs/dbraw/zinc/29/67/19/1102296719.db2.gz QJDFWGKNZYGZFL-WBVHZDCISA-N 2 1 369.896 4.481 20 0 FIADMP C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441724 1102329541 /nfs/dbraw/zinc/32/95/41/1102329541.db2.gz FHAKPWRZKLRPMI-CEMLEFRQSA-N 2 1 367.537 4.059 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000121237304 1102352562 /nfs/dbraw/zinc/35/25/62/1102352562.db2.gz KDIDRKZKVCOZLH-UHFFFAOYSA-N 2 1 369.488 4.066 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000121237304 1102352569 /nfs/dbraw/zinc/35/25/69/1102352569.db2.gz KDIDRKZKVCOZLH-UHFFFAOYSA-N 2 1 369.488 4.066 20 0 FIADMP FC(F)(F)c1ccc2oc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000121399352 1102374974 /nfs/dbraw/zinc/37/49/74/1102374974.db2.gz QAMINGAWFZOZNR-UHFFFAOYSA-N 2 1 367.415 4.154 20 0 FIADMP c1ccc(N2CCCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167971537 1102452588 /nfs/dbraw/zinc/45/25/88/1102452588.db2.gz XMHNHMWPFOFCHJ-FRIKZZABSA-N 2 1 353.554 4.172 20 0 FIADMP Fc1ccc(C(F)(F)F)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971563 1102464900 /nfs/dbraw/zinc/46/49/00/1102464900.db2.gz YPWWFZONEMCWIM-AYHJJNSGSA-N 2 1 370.434 4.382 20 0 FIADMP CC1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001168212879 1102490062 /nfs/dbraw/zinc/49/00/62/1102490062.db2.gz SVALUDBSRCKIHP-CTWPCTMYSA-N 2 1 362.583 4.382 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000122214421 1102535090 /nfs/dbraw/zinc/53/50/90/1102535090.db2.gz WGZMTWLPEAWBTE-OAQYLSRUSA-N 2 1 360.542 4.114 20 0 FIADMP [NH3+][C@H]1CCc2c3cc(F)ccc3n(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2C1 ZINC001167974336 1102546724 /nfs/dbraw/zinc/54/67/24/1102546724.db2.gz WQOUAUMHGAVTIU-HTUJPFKRSA-N 2 1 367.512 4.174 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000303813722 1102553864 /nfs/dbraw/zinc/55/38/64/1102553864.db2.gz ZNNOURJCXLQRBN-RXVVDRJESA-N 2 1 367.537 4.192 20 0 FIADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000303813722 1102553874 /nfs/dbraw/zinc/55/38/74/1102553874.db2.gz ZNNOURJCXLQRBN-RXVVDRJESA-N 2 1 367.537 4.192 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782515 1102564124 /nfs/dbraw/zinc/56/41/24/1102564124.db2.gz STNWOJGYJQFMSN-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782515 1102564129 /nfs/dbraw/zinc/56/41/29/1102564129.db2.gz STNWOJGYJQFMSN-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782515 1102564139 /nfs/dbraw/zinc/56/41/39/1102564139.db2.gz STNWOJGYJQFMSN-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782515 1102564147 /nfs/dbraw/zinc/56/41/47/1102564147.db2.gz STNWOJGYJQFMSN-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000061016357 1102615578 /nfs/dbraw/zinc/61/55/78/1102615578.db2.gz JHLVRGWCHIOLOJ-UHFFFAOYSA-N 2 1 368.521 4.238 20 0 FIADMP COc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975554 1102650114 /nfs/dbraw/zinc/65/01/14/1102650114.db2.gz SATDATPQGBIMCJ-SEJPIABJSA-N 2 1 354.538 4.155 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3Cl)CC2)CC[N@H+]1C ZINC000550882926 1102652907 /nfs/dbraw/zinc/65/29/07/1102652907.db2.gz RTCGIYPVRHRIOI-OCCSQVGLSA-N 2 1 371.750 4.206 20 0 FIADMP Cc1nc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000664835014 1102654794 /nfs/dbraw/zinc/65/47/94/1102654794.db2.gz CAEUFCMRLDSXIQ-JOCHJYFZSA-N 2 1 367.537 4.414 20 0 FIADMP Cc1nc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000664835014 1102654798 /nfs/dbraw/zinc/65/47/98/1102654798.db2.gz CAEUFCMRLDSXIQ-JOCHJYFZSA-N 2 1 367.537 4.414 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccn1 ZINC000550886301 1102658519 /nfs/dbraw/zinc/65/85/19/1102658519.db2.gz GUSWWWNTEQTLHE-ZWKOTPCHSA-N 2 1 353.510 4.173 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000550920878 1102693922 /nfs/dbraw/zinc/69/39/22/1102693922.db2.gz KNXFAHPULJPWOS-HOIMLPCSSA-N 2 1 368.565 4.367 20 0 FIADMP C[C@@H](c1cnccn1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837032 1102696938 /nfs/dbraw/zinc/69/69/38/1102696938.db2.gz YYANQLCFTMVPCB-AVRDEDQJSA-N 2 1 364.537 4.160 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664838597 1102705736 /nfs/dbraw/zinc/70/57/36/1102705736.db2.gz VDXLRFJHMJHLLI-JOCHJYFZSA-N 2 1 367.537 4.414 20 0 FIADMP CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001167979255 1102739364 /nfs/dbraw/zinc/73/93/64/1102739364.db2.gz YLZHTRZWOBTTML-NOTZXAQLSA-N 2 1 367.581 4.036 20 0 FIADMP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN(Cc2ccccc2)CC1 ZINC001167979255 1102739370 /nfs/dbraw/zinc/73/93/70/1102739370.db2.gz YLZHTRZWOBTTML-NOTZXAQLSA-N 2 1 367.581 4.036 20 0 FIADMP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN(Cc2ccccc2)CC1 ZINC001167979255 1102739380 /nfs/dbraw/zinc/73/93/80/1102739380.db2.gz YLZHTRZWOBTTML-NOTZXAQLSA-N 2 1 367.581 4.036 20 0 FIADMP OC1(c2ccc(Cl)cc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981627 1102783997 /nfs/dbraw/zinc/78/39/97/1102783997.db2.gz CBJDXCVDTDTWMT-WCRBZPEASA-N 2 1 374.956 4.029 20 0 FIADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOC(c3ccccc3)c3ccccc3)C2)C1 ZINC000550238344 1102802765 /nfs/dbraw/zinc/80/27/65/1102802765.db2.gz BIZWHSQATQLKRP-XMMPIXPASA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)C1 ZINC000550238344 1102802789 /nfs/dbraw/zinc/80/27/89/1102802789.db2.gz BIZWHSQATQLKRP-XMMPIXPASA-N 2 1 364.533 4.210 20 0 FIADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)C1 ZINC000550238344 1102802810 /nfs/dbraw/zinc/80/28/10/1102802810.db2.gz BIZWHSQATQLKRP-XMMPIXPASA-N 2 1 364.533 4.210 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000476817589 1102877408 /nfs/dbraw/zinc/87/74/08/1102877408.db2.gz HSRGWTMTRINZBQ-DEOSSOPVSA-N 2 1 366.549 4.449 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000551086693 1102905655 /nfs/dbraw/zinc/90/56/55/1102905655.db2.gz ARNFEWTYCMDCBO-NSKBAKJYSA-N 2 1 372.553 4.312 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000551086693 1102905658 /nfs/dbraw/zinc/90/56/58/1102905658.db2.gz ARNFEWTYCMDCBO-NSKBAKJYSA-N 2 1 372.553 4.312 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000506868194 1102919405 /nfs/dbraw/zinc/91/94/05/1102919405.db2.gz QWFAOHSLNNCQAJ-UHFFFAOYSA-N 2 1 370.484 4.241 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506875256 1102935328 /nfs/dbraw/zinc/93/53/28/1102935328.db2.gz MQCXLHXRZKRMJG-UHFFFAOYSA-N 2 1 369.347 4.012 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000506932916 1102967888 /nfs/dbraw/zinc/96/78/88/1102967888.db2.gz UETJCRNQQHZRDF-UHFFFAOYSA-N 2 1 354.542 4.329 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197582 1102975572 /nfs/dbraw/zinc/97/55/72/1102975572.db2.gz GHHDWMFXPPYETF-GGAORHGYSA-N 2 1 368.521 4.027 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197582 1102975576 /nfs/dbraw/zinc/97/55/76/1102975576.db2.gz GHHDWMFXPPYETF-GGAORHGYSA-N 2 1 368.521 4.027 20 0 FIADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476988419 1102993562 /nfs/dbraw/zinc/99/35/62/1102993562.db2.gz SDBADQRWVWXIPN-UXHICEINSA-N 2 1 371.569 4.299 20 0 FIADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476988419 1102993564 /nfs/dbraw/zinc/99/35/64/1102993564.db2.gz SDBADQRWVWXIPN-UXHICEINSA-N 2 1 371.569 4.299 20 0 FIADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263643 1103023647 /nfs/dbraw/zinc/02/36/47/1103023647.db2.gz DDUREAVJZFVRRR-SIKLNZKXSA-N 2 1 356.554 4.084 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)ccn1 ZINC000551288674 1103048350 /nfs/dbraw/zinc/04/83/50/1103048350.db2.gz UWGFAMSFTCUGLW-QGZVFWFLSA-N 2 1 365.477 4.166 20 0 FIADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000551316882 1103074301 /nfs/dbraw/zinc/07/43/01/1103074301.db2.gz NVQNQYWHZUNPAX-RFRZSCIPSA-N 2 1 366.549 4.011 20 0 FIADMP Cc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000532778316 1103197529 /nfs/dbraw/zinc/19/75/29/1103197529.db2.gz SATRJQUIKRGFFN-UHFFFAOYSA-N 2 1 368.525 4.133 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000477162796 1103198955 /nfs/dbraw/zinc/19/89/55/1103198955.db2.gz GTHHLKVYVWNOLI-UHFFFAOYSA-N 2 1 366.553 4.342 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000477162796 1103198970 /nfs/dbraw/zinc/19/89/70/1103198970.db2.gz GTHHLKVYVWNOLI-UHFFFAOYSA-N 2 1 366.553 4.342 20 0 FIADMP COCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)c(Cl)c1 ZINC000551427069 1103210699 /nfs/dbraw/zinc/21/06/99/1103210699.db2.gz HXFHEQUXLZIAAO-QGZVFWFLSA-N 2 1 356.297 4.256 20 0 FIADMP COCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)c(Cl)c1 ZINC000551427068 1103211455 /nfs/dbraw/zinc/21/14/55/1103211455.db2.gz HXFHEQUXLZIAAO-KRWDZBQOSA-N 2 1 356.297 4.256 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000551519164 1103311721 /nfs/dbraw/zinc/31/17/21/1103311721.db2.gz AIAVJHCMPLHDNC-SOUVJXGZSA-N 2 1 351.922 4.047 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000551519164 1103311732 /nfs/dbraw/zinc/31/17/32/1103311732.db2.gz AIAVJHCMPLHDNC-SOUVJXGZSA-N 2 1 351.922 4.047 20 0 FIADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)CC1 ZINC000551570572 1103375187 /nfs/dbraw/zinc/37/51/87/1103375187.db2.gz WDZDLGWJHDQGJU-UHFFFAOYSA-N 2 1 362.876 4.242 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427291208 1103415993 /nfs/dbraw/zinc/41/59/93/1103415993.db2.gz ZERCNRCUMQKXAS-SFHVURJKSA-N 2 1 357.542 4.169 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000507498120 1103429663 /nfs/dbraw/zinc/42/96/63/1103429663.db2.gz UFTBFUMWRPCOQI-SNJCGAMXSA-N 2 1 368.496 4.013 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000507498120 1103429671 /nfs/dbraw/zinc/42/96/71/1103429671.db2.gz UFTBFUMWRPCOQI-SNJCGAMXSA-N 2 1 368.496 4.013 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000507484044 1103430606 /nfs/dbraw/zinc/43/06/06/1103430606.db2.gz IRXKAQYCTOCPCH-GNJRFXKQSA-N 2 1 356.554 4.080 20 0 FIADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000551778471 1103624186 /nfs/dbraw/zinc/62/41/86/1103624186.db2.gz ITGDRIZJWDDVMX-SJORKVTESA-N 2 1 368.949 4.279 20 0 FIADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000551806479 1103655663 /nfs/dbraw/zinc/65/56/63/1103655663.db2.gz SJKYRWNEHHCABR-UHFFFAOYSA-N 2 1 366.553 4.296 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000188114985 1103993711 /nfs/dbraw/zinc/99/37/11/1103993711.db2.gz XTQRITGCQBHJTA-FYYLOGMGSA-N 2 1 364.537 4.162 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000461081809 1104081910 /nfs/dbraw/zinc/08/19/10/1104081910.db2.gz BOIFXYPHOITUCJ-IEBWSBKVSA-N 2 1 362.558 4.082 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000538305433 1104126423 /nfs/dbraw/zinc/12/64/23/1104126423.db2.gz SZOYQYMZUJKQME-GOSISDBHSA-N 2 1 360.590 4.194 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)CC1 ZINC000188267623 1104131384 /nfs/dbraw/zinc/13/13/84/1104131384.db2.gz OWDYREAGLUSSCY-CBNMVNINSA-N 2 1 370.516 4.271 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520203315 1104170787 /nfs/dbraw/zinc/17/07/87/1104170787.db2.gz XCSBFXJNZTXZOZ-ROUUACIJSA-N 2 1 362.521 4.331 20 0 FIADMP COc1ccc(Br)cc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000520205051 1104171312 /nfs/dbraw/zinc/17/13/12/1104171312.db2.gz QYSKMRGMVFLBLH-HNNXBMFYSA-N 2 1 369.347 4.202 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000441274640 1104248534 /nfs/dbraw/zinc/24/85/34/1104248534.db2.gz GVRTZPLURAABHD-UHFFFAOYSA-N 2 1 363.505 4.320 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000441274640 1104248541 /nfs/dbraw/zinc/24/85/41/1104248541.db2.gz GVRTZPLURAABHD-UHFFFAOYSA-N 2 1 363.505 4.320 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441394326 1104327773 /nfs/dbraw/zinc/32/77/73/1104327773.db2.gz OHRBHWPSYDOZFQ-ALKREAHSSA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441394326 1104327779 /nfs/dbraw/zinc/32/77/79/1104327779.db2.gz OHRBHWPSYDOZFQ-ALKREAHSSA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394326 1104327790 /nfs/dbraw/zinc/32/77/90/1104327790.db2.gz OHRBHWPSYDOZFQ-ALKREAHSSA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441394326 1104327800 /nfs/dbraw/zinc/32/78/00/1104327800.db2.gz OHRBHWPSYDOZFQ-ALKREAHSSA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000427561398 1104357763 /nfs/dbraw/zinc/35/77/63/1104357763.db2.gz BTUKNOGZQQCDEZ-RHSMWYFYSA-N 2 1 355.448 4.189 20 0 FIADMP COC1(c2ccccc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994399 1104491012 /nfs/dbraw/zinc/49/10/12/1104491012.db2.gz CNIMYOGHRWQUSK-CBQGHPETSA-N 2 1 354.538 4.030 20 0 FIADMP COc1ccccc1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994481 1104491194 /nfs/dbraw/zinc/49/11/94/1104491194.db2.gz GDRFJNGTEIIHBZ-WCRBZPEASA-N 2 1 354.538 4.280 20 0 FIADMP CSc1cc(Br)ccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475139702 1104781704 /nfs/dbraw/zinc/78/17/04/1104781704.db2.gz YIDMHJUWYVVBHW-UHFFFAOYSA-N 2 1 369.372 4.231 20 0 FIADMP CSc1cc(Br)ccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475139702 1104781709 /nfs/dbraw/zinc/78/17/09/1104781709.db2.gz YIDMHJUWYVVBHW-UHFFFAOYSA-N 2 1 369.372 4.231 20 0 FIADMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001143586473 1105013790 /nfs/dbraw/zinc/01/37/90/1105013790.db2.gz NWRMHASTTDXTIC-UHFFFAOYSA-N 2 1 368.496 4.001 20 0 FIADMP COc1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168004217 1105027761 /nfs/dbraw/zinc/02/77/61/1105027761.db2.gz RRGSYKYVSLLVTF-JYEDNEFCSA-N 2 1 368.565 4.355 20 0 FIADMP COc1ccc(C[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168004217 1105027767 /nfs/dbraw/zinc/02/77/67/1105027767.db2.gz RRGSYKYVSLLVTF-JYEDNEFCSA-N 2 1 368.565 4.355 20 0 FIADMP COc1ccc(C[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168004217 1105027773 /nfs/dbraw/zinc/02/77/73/1105027773.db2.gz RRGSYKYVSLLVTF-JYEDNEFCSA-N 2 1 368.565 4.355 20 0 FIADMP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394483 1105075533 /nfs/dbraw/zinc/07/55/33/1105075533.db2.gz QEVKVYHOLCHCOX-CRAIPNDOSA-N 2 1 353.535 4.261 20 0 FIADMP C[C@H]1CC([N@@H+](CCC[NH3+])C2CCCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168008001 1105151564 /nfs/dbraw/zinc/15/15/64/1105151564.db2.gz CBOQXHDJVIYEQE-PMACEKPBSA-N 2 1 357.586 4.412 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000536476212 1105156525 /nfs/dbraw/zinc/15/65/25/1105156525.db2.gz NCJNDSHMUQKTOY-UHFFFAOYSA-N 2 1 366.278 4.148 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000536476212 1105156535 /nfs/dbraw/zinc/15/65/35/1105156535.db2.gz NCJNDSHMUQKTOY-UHFFFAOYSA-N 2 1 366.278 4.148 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009145 1105208019 /nfs/dbraw/zinc/20/80/19/1105208019.db2.gz HAKOLKNKABZTPB-YDLSIGKMSA-N 2 1 352.522 4.141 20 0 FIADMP CCOC(=O)[C@@H]1CCCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168064981 1106886111 /nfs/dbraw/zinc/88/61/11/1106886111.db2.gz TWJZFLFPKJVHDT-SFHLNBCPSA-N 2 1 372.553 4.093 20 0 FIADMP Brc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000192922410 1106903051 /nfs/dbraw/zinc/90/30/51/1106903051.db2.gz GSNKYEJAHKIPEM-OAHLLOKOSA-N 2 1 365.340 4.122 20 0 FIADMP Brc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192922410 1106903055 /nfs/dbraw/zinc/90/30/55/1106903055.db2.gz GSNKYEJAHKIPEM-OAHLLOKOSA-N 2 1 365.340 4.122 20 0 FIADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCCC2)C1CCCCC1 ZINC000655716148 1106915621 /nfs/dbraw/zinc/91/56/21/1106915621.db2.gz SLBRTZIUWSWONW-UHFFFAOYSA-N 2 1 366.553 4.274 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCCC2)C1CCCCC1 ZINC000655716148 1106915625 /nfs/dbraw/zinc/91/56/25/1106915625.db2.gz SLBRTZIUWSWONW-UHFFFAOYSA-N 2 1 366.553 4.274 20 0 FIADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451291829 1107011062 /nfs/dbraw/zinc/01/10/62/1107011062.db2.gz AJZKKTGGOCJWLO-AWEZNQCLSA-N 2 1 361.477 4.216 20 0 FIADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451291829 1107011078 /nfs/dbraw/zinc/01/10/78/1107011078.db2.gz AJZKKTGGOCJWLO-AWEZNQCLSA-N 2 1 361.477 4.216 20 0 FIADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000530518781 1107097997 /nfs/dbraw/zinc/09/79/97/1107097997.db2.gz BCXMBHJFPVLDFU-ACJLOTCBSA-N 2 1 362.315 4.028 20 0 FIADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1Cl ZINC000530513399 1107105496 /nfs/dbraw/zinc/10/54/96/1107105496.db2.gz VRIBOEHVKMVRLI-HNNXBMFYSA-N 2 1 356.695 4.119 20 0 FIADMP C[C@H]([NH2+]CCc1ccccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530513405 1107105708 /nfs/dbraw/zinc/10/57/08/1107105708.db2.gz WAZSFDIVKLHGFQ-FXAWDEMLSA-N 2 1 374.475 4.331 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569039 1107185244 /nfs/dbraw/zinc/18/52/44/1107185244.db2.gz NLIKGBCGSPXXBF-KRWDZBQOSA-N 2 1 362.315 4.224 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569039 1107185255 /nfs/dbraw/zinc/18/52/55/1107185255.db2.gz NLIKGBCGSPXXBF-KRWDZBQOSA-N 2 1 362.315 4.224 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C\c2ccc(Br)cc2)CC[N@@H+]1C ZINC000530666144 1107223242 /nfs/dbraw/zinc/22/32/42/1107223242.db2.gz TUYQRHVJPUBSJS-MTWCHYJXSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C\c2ccc(Br)cc2)CC[N@H+]1C ZINC000530666144 1107223262 /nfs/dbraw/zinc/22/32/62/1107223262.db2.gz TUYQRHVJPUBSJS-MTWCHYJXSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CC/C=C\c2ccc(Br)cc2)CC[NH+]1C ZINC000530666144 1107223274 /nfs/dbraw/zinc/22/32/74/1107223274.db2.gz TUYQRHVJPUBSJS-MTWCHYJXSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CC/C=C\c2ccc(Br)cc2)CC[NH+]1C ZINC000530666144 1107223278 /nfs/dbraw/zinc/22/32/78/1107223278.db2.gz TUYQRHVJPUBSJS-MTWCHYJXSA-N 2 1 351.332 4.267 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301987359 1107241180 /nfs/dbraw/zinc/24/11/80/1107241180.db2.gz NFEJPFCXERWMIH-OAHLLOKOSA-N 2 1 360.299 4.062 20 0 FIADMP COc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711767 1107257686 /nfs/dbraw/zinc/25/76/86/1107257686.db2.gz XZZDBEJLTJKUGS-FPOVZHCZSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711767 1107257702 /nfs/dbraw/zinc/25/77/02/1107257702.db2.gz XZZDBEJLTJKUGS-FPOVZHCZSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711767 1107257708 /nfs/dbraw/zinc/25/77/08/1107257708.db2.gz XZZDBEJLTJKUGS-FPOVZHCZSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711767 1107257723 /nfs/dbraw/zinc/25/77/23/1107257723.db2.gz XZZDBEJLTJKUGS-FPOVZHCZSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1-c1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000530870637 1107375174 /nfs/dbraw/zinc/37/51/74/1107375174.db2.gz LDAFUUJQXBOCKY-UHFFFAOYSA-N 2 1 373.566 4.371 20 0 FIADMP COc1ccccc1-c1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000530870637 1107375188 /nfs/dbraw/zinc/37/51/88/1107375188.db2.gz LDAFUUJQXBOCKY-UHFFFAOYSA-N 2 1 373.566 4.371 20 0 FIADMP CC(C[NH+]1CCC[C@]2(CCSC2)C1)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980251 1107411703 /nfs/dbraw/zinc/41/17/03/1107411703.db2.gz QXCVPTKGQGGVFZ-PMACEKPBSA-N 2 1 368.656 4.061 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)CC[N@H+]1C ZINC000152434127 1107423953 /nfs/dbraw/zinc/42/39/53/1107423953.db2.gz BLFCHZNKVUXLLN-HOCLYGCPSA-N 2 1 371.352 4.114 20 0 FIADMP CCc1nc(C)c(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366703 1107899431 /nfs/dbraw/zinc/89/94/31/1107899431.db2.gz YWLBLOUMVNMRIY-UXHICEINSA-N 2 1 353.510 4.032 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000444607188 1108015854 /nfs/dbraw/zinc/01/58/54/1108015854.db2.gz HAJGAGVARSVUDQ-LJQANCHMSA-N 2 1 365.521 4.466 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676970 1108066714 /nfs/dbraw/zinc/06/67/14/1108066714.db2.gz CQNCXISCQPYXNU-LAUBAEHRSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676970 1108066730 /nfs/dbraw/zinc/06/67/30/1108066730.db2.gz CQNCXISCQPYXNU-LAUBAEHRSA-N 2 1 374.475 4.331 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000531684677 1108072996 /nfs/dbraw/zinc/07/29/96/1108072996.db2.gz HLQCWDBTBOIQCM-ZHRRBRCNSA-N 2 1 366.484 4.273 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000531684676 1108074179 /nfs/dbraw/zinc/07/41/79/1108074179.db2.gz HLQCWDBTBOIQCM-OPAMFIHVSA-N 2 1 366.484 4.273 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000531708773 1108089048 /nfs/dbraw/zinc/08/90/48/1108089048.db2.gz ZCRNIWBEGGIAEB-MRXNPFEDSA-N 2 1 353.441 4.260 20 0 FIADMP FC(F)(F)C[C@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689650 1108093511 /nfs/dbraw/zinc/09/35/11/1108093511.db2.gz GPEXYPOOJRBXIA-CZMZKRSCSA-N 2 1 358.370 4.091 20 0 FIADMP FC(F)(F)C[C@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689650 1108093525 /nfs/dbraw/zinc/09/35/25/1108093525.db2.gz GPEXYPOOJRBXIA-CZMZKRSCSA-N 2 1 358.370 4.091 20 0 FIADMP FC(F)(F)C[C@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689650 1108093539 /nfs/dbraw/zinc/09/35/39/1108093539.db2.gz GPEXYPOOJRBXIA-CZMZKRSCSA-N 2 1 358.370 4.091 20 0 FIADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000453097617 1108144472 /nfs/dbraw/zinc/14/44/72/1108144472.db2.gz XBHPBHZVEGGXTI-ICSRJNTNSA-N 2 1 357.567 4.356 20 0 FIADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000453097617 1108144474 /nfs/dbraw/zinc/14/44/74/1108144474.db2.gz XBHPBHZVEGGXTI-ICSRJNTNSA-N 2 1 357.567 4.356 20 0 FIADMP c1csc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453144448 1108195326 /nfs/dbraw/zinc/19/53/26/1108195326.db2.gz MNIXZEQBXUHGPH-UFYCRDLUSA-N 2 1 355.551 4.109 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453250521 1108323298 /nfs/dbraw/zinc/32/32/98/1108323298.db2.gz ZFJLIPRCLBNTNL-STZQEDGTSA-N 2 1 353.510 4.078 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453250521 1108323315 /nfs/dbraw/zinc/32/33/15/1108323315.db2.gz ZFJLIPRCLBNTNL-STZQEDGTSA-N 2 1 353.510 4.078 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453250519 1108323374 /nfs/dbraw/zinc/32/33/74/1108323374.db2.gz ZFJLIPRCLBNTNL-BWAGFHJFSA-N 2 1 353.510 4.078 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453250519 1108323387 /nfs/dbraw/zinc/32/33/87/1108323387.db2.gz ZFJLIPRCLBNTNL-BWAGFHJFSA-N 2 1 353.510 4.078 20 0 FIADMP CCn1ccnc1C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453303758 1108392384 /nfs/dbraw/zinc/39/23/84/1108392384.db2.gz ARWJFDWMJSHNLJ-OAQYLSRUSA-N 2 1 372.532 4.385 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939140 1108415782 /nfs/dbraw/zinc/41/57/82/1108415782.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939140 1108415793 /nfs/dbraw/zinc/41/57/93/1108415793.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939140 1108415797 /nfs/dbraw/zinc/41/57/97/1108415797.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939140 1108415802 /nfs/dbraw/zinc/41/58/02/1108415802.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939140 1108415814 /nfs/dbraw/zinc/41/58/14/1108415814.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939140 1108415822 /nfs/dbraw/zinc/41/58/22/1108415822.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939140 1108415829 /nfs/dbraw/zinc/41/58/29/1108415829.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939140 1108415831 /nfs/dbraw/zinc/41/58/31/1108415831.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939140 1108415835 /nfs/dbraw/zinc/41/58/35/1108415835.db2.gz XOKDIVRYBJYSGO-MSYCTHLASA-N 2 1 357.586 4.269 20 0 FIADMP Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cccc(Cl)c1 ZINC000453338417 1108432409 /nfs/dbraw/zinc/43/24/09/1108432409.db2.gz FXQXOPWIKYAIAB-DXJOGWAWSA-N 2 1 358.917 4.110 20 0 FIADMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cccc(Cl)c1 ZINC000453338417 1108432426 /nfs/dbraw/zinc/43/24/26/1108432426.db2.gz FXQXOPWIKYAIAB-DXJOGWAWSA-N 2 1 358.917 4.110 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000531951022 1108438162 /nfs/dbraw/zinc/43/81/62/1108438162.db2.gz ZIBAPACZYPKWET-RBUKOAKNSA-N 2 1 368.521 4.075 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000531951022 1108438168 /nfs/dbraw/zinc/43/81/68/1108438168.db2.gz ZIBAPACZYPKWET-RBUKOAKNSA-N 2 1 368.521 4.075 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Oc1ccccc1 ZINC000531966725 1108463342 /nfs/dbraw/zinc/46/33/42/1108463342.db2.gz VBKSDIJABBUWAU-UHFFFAOYSA-N 2 1 370.512 4.280 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21)C1CC1 ZINC000453386110 1108472092 /nfs/dbraw/zinc/47/20/92/1108472092.db2.gz AAASRRDEYDHDCO-QGZVFWFLSA-N 2 1 367.331 4.127 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2nccn21 ZINC000453364802 1108478929 /nfs/dbraw/zinc/47/89/29/1108478929.db2.gz SKEAHDBXJJGQBO-KHSAKVFQSA-N 2 1 364.537 4.169 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2nccn21 ZINC000453364802 1108478935 /nfs/dbraw/zinc/47/89/35/1108478935.db2.gz SKEAHDBXJJGQBO-KHSAKVFQSA-N 2 1 364.537 4.169 20 0 FIADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000523850866 1108588854 /nfs/dbraw/zinc/58/88/54/1108588854.db2.gz DHFZKVHCJBGDAX-MLGOLLRUSA-N 2 1 374.356 4.276 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453590771 1108647704 /nfs/dbraw/zinc/64/77/04/1108647704.db2.gz BFVSYKVPFYGTIG-UHFFFAOYSA-N 2 1 374.960 4.166 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn2)c1 ZINC000532202841 1108707552 /nfs/dbraw/zinc/70/75/52/1108707552.db2.gz SCPLPBZUYLKPKN-NLWGTHIKSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn2)c1 ZINC000532202841 1108707564 /nfs/dbraw/zinc/70/75/64/1108707564.db2.gz SCPLPBZUYLKPKN-NLWGTHIKSA-N 2 1 353.510 4.309 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000532234723 1108729902 /nfs/dbraw/zinc/72/99/02/1108729902.db2.gz KZFOOEQNFDNHPU-OSAQELSMSA-N 2 1 355.345 4.058 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000532234723 1108729912 /nfs/dbraw/zinc/72/99/12/1108729912.db2.gz KZFOOEQNFDNHPU-OSAQELSMSA-N 2 1 355.345 4.058 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000532234725 1108730508 /nfs/dbraw/zinc/73/05/08/1108730508.db2.gz KZFOOEQNFDNHPU-ZLDLUXBVSA-N 2 1 355.345 4.058 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000532234725 1108730511 /nfs/dbraw/zinc/73/05/11/1108730511.db2.gz KZFOOEQNFDNHPU-ZLDLUXBVSA-N 2 1 355.345 4.058 20 0 FIADMP Fc1ccc2c(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c[nH]c2c1 ZINC000525195708 1109298493 /nfs/dbraw/zinc/29/84/93/1109298493.db2.gz AEKDSRPQNHKQOR-UHFFFAOYSA-N 2 1 351.469 4.104 20 0 FIADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269141 1109325837 /nfs/dbraw/zinc/32/58/37/1109325837.db2.gz AHTRYPOGKKQHBX-QGZVFWFLSA-N 2 1 372.896 4.023 20 0 FIADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269141 1109325842 /nfs/dbraw/zinc/32/58/42/1109325842.db2.gz AHTRYPOGKKQHBX-QGZVFWFLSA-N 2 1 372.896 4.023 20 0 FIADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525269141 1109325847 /nfs/dbraw/zinc/32/58/47/1109325847.db2.gz AHTRYPOGKKQHBX-QGZVFWFLSA-N 2 1 372.896 4.023 20 0 FIADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525269141 1109325856 /nfs/dbraw/zinc/32/58/56/1109325856.db2.gz AHTRYPOGKKQHBX-QGZVFWFLSA-N 2 1 372.896 4.023 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446837788 1109348821 /nfs/dbraw/zinc/34/88/21/1109348821.db2.gz AUVRQPRARKDTSG-ZIAGYGMSSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000446837788 1109348826 /nfs/dbraw/zinc/34/88/26/1109348826.db2.gz AUVRQPRARKDTSG-ZIAGYGMSSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446837785 1109348884 /nfs/dbraw/zinc/34/88/84/1109348884.db2.gz AUVRQPRARKDTSG-KBPBESRZSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446837785 1109348888 /nfs/dbraw/zinc/34/88/88/1109348888.db2.gz AUVRQPRARKDTSG-KBPBESRZSA-N 2 1 357.311 4.359 20 0 FIADMP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000525696285 1109480722 /nfs/dbraw/zinc/48/07/22/1109480722.db2.gz RTTIUYZHGVEWJF-NRFANRHFSA-N 2 1 358.913 4.282 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc4ccccc43)C2)CC1 ZINC000525779468 1109515788 /nfs/dbraw/zinc/51/57/88/1109515788.db2.gz RRDRXWIPBGAYKG-CTNGQTDRSA-N 2 1 351.538 4.001 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000525869926 1109547332 /nfs/dbraw/zinc/54/73/32/1109547332.db2.gz XCVPVLJGVWQTQO-UWVAXJGDSA-N 2 1 352.950 4.170 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000447529365 1109563481 /nfs/dbraw/zinc/56/34/81/1109563481.db2.gz LUGWWXOGQILGTF-KRWDZBQOSA-N 2 1 370.493 4.293 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546303 1109574932 /nfs/dbraw/zinc/57/49/32/1109574932.db2.gz USWDOJDHIOLLCA-LRSLUSHPSA-N 2 1 369.578 4.136 20 0 FIADMP FC(F)(F)CSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447586844 1109587547 /nfs/dbraw/zinc/58/75/47/1109587547.db2.gz PCRDSMLABVWCND-BJWYYQGGSA-N 2 1 358.473 4.067 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)F)cc3)c2)CCO1 ZINC000526038173 1109597363 /nfs/dbraw/zinc/59/73/63/1109597363.db2.gz VGOIISFOSXVFAF-INIZCTEOSA-N 2 1 360.448 4.135 20 0 FIADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447608319 1109601346 /nfs/dbraw/zinc/60/13/46/1109601346.db2.gz VCHTZRKNOSJPNO-XXTHSBEZSA-N 2 1 355.570 4.036 20 0 FIADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OCc1ccccc1 ZINC000237321604 1109720705 /nfs/dbraw/zinc/72/07/05/1109720705.db2.gz NXPDGFORNCFLPC-UHFFFAOYSA-N 2 1 368.521 4.237 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527860046 1109841895 /nfs/dbraw/zinc/84/18/95/1109841895.db2.gz UPELRDYGKOFPJQ-WDEREUQCSA-N 2 1 372.257 4.219 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C2CC2)cn1 ZINC000528042507 1109891675 /nfs/dbraw/zinc/89/16/75/1109891675.db2.gz FWQOROFVRYNQAW-XUEUYAKLSA-N 2 1 357.542 4.174 20 0 FIADMP C[C@@H](C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000449014884 1109954208 /nfs/dbraw/zinc/95/42/08/1109954208.db2.gz AKAFNUQDDBNVHX-KRWDZBQOSA-N 2 1 373.491 4.102 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028947 1109959658 /nfs/dbraw/zinc/95/96/58/1109959658.db2.gz NHULIUGHTDNGAC-YLJYHZDGSA-N 2 1 357.567 4.090 20 0 FIADMP CSCC1CCC([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC000449127628 1109981459 /nfs/dbraw/zinc/98/14/59/1109981459.db2.gz WXESSFSFYGKNAQ-UHFFFAOYSA-N 2 1 365.587 4.015 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C[C@H](C)c3cc(F)cc(F)c3)CCCC2)CC1 ZINC000449154634 1109986923 /nfs/dbraw/zinc/98/69/23/1109986923.db2.gz NYZNRWHEUSXCQV-INIZCTEOSA-N 2 1 366.496 4.082 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449159670 1109989532 /nfs/dbraw/zinc/98/95/32/1109989532.db2.gz IDUXZMABNSFMAV-HXUWFJFHSA-N 2 1 354.494 4.103 20 0 FIADMP Clc1cccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000528510664 1110012386 /nfs/dbraw/zinc/01/23/86/1110012386.db2.gz BWOFCNJLEGZIRP-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449324448 1110026803 /nfs/dbraw/zinc/02/68/03/1110026803.db2.gz FQHGAMNVOZLXDT-UHFFFAOYSA-N 2 1 373.298 4.024 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449324448 1110026807 /nfs/dbraw/zinc/02/68/07/1110026807.db2.gz FQHGAMNVOZLXDT-UHFFFAOYSA-N 2 1 373.298 4.024 20 0 FIADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(C(F)(F)F)c3)CC2)C1 ZINC000449438107 1110079918 /nfs/dbraw/zinc/07/99/18/1110079918.db2.gz OTENBFCVQUJLRL-WMLDXEAASA-N 2 1 355.448 4.233 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)COCc1ccccc1 ZINC000389900028 1110284484 /nfs/dbraw/zinc/28/44/84/1110284484.db2.gz BDMRKQFXIAMLFV-NRFANRHFSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@H](c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1)C(F)(F)F ZINC000450599898 1110318306 /nfs/dbraw/zinc/31/83/06/1110318306.db2.gz LXSCPGWJCAMUJQ-GRGSLBFTSA-N 2 1 370.459 4.036 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000538410878 1111130273 /nfs/dbraw/zinc/13/02/73/1111130273.db2.gz LHXIRIGBCSCLII-TZIWHRDSSA-N 2 1 374.532 4.420 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060188 1111406765 /nfs/dbraw/zinc/40/67/65/1111406765.db2.gz PZAVOMHUYCQTJP-RZAIGCCYSA-N 2 1 357.325 4.022 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000539065361 1111416076 /nfs/dbraw/zinc/41/60/76/1111416076.db2.gz GWZGSLDUKCPZRH-VXGBXAGGSA-N 2 1 354.267 4.080 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)c1 ZINC000539071347 1111418742 /nfs/dbraw/zinc/41/87/42/1111418742.db2.gz JJUGFANQRVKMOZ-KRWDZBQOSA-N 2 1 371.500 4.173 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@@H](C)C1 ZINC000539074633 1111420080 /nfs/dbraw/zinc/42/00/80/1111420080.db2.gz WHBDZRAYZFGESK-KXBFYZLASA-N 2 1 362.489 4.107 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@@H](C)C1 ZINC000539074633 1111420082 /nfs/dbraw/zinc/42/00/82/1111420082.db2.gz WHBDZRAYZFGESK-KXBFYZLASA-N 2 1 362.489 4.107 20 0 FIADMP CC(C)CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccoc1 ZINC000552033604 1111451213 /nfs/dbraw/zinc/45/12/13/1111451213.db2.gz KKUFDBJWUUESBM-QHCPKHFHSA-N 2 1 369.553 4.294 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000539159282 1111455479 /nfs/dbraw/zinc/45/54/79/1111455479.db2.gz NQRIOTYOEHKUDX-OXJNMPFZSA-N 2 1 359.514 4.332 20 0 FIADMP Cc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c21 ZINC000462043378 1111471382 /nfs/dbraw/zinc/47/13/82/1111471382.db2.gz YOUXUGYHELTWRG-UHFFFAOYSA-N 2 1 361.533 4.316 20 0 FIADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000552047582 1111557067 /nfs/dbraw/zinc/55/70/67/1111557067.db2.gz RFENYWWNEVJWJT-NJDAHSKKSA-N 2 1 356.535 4.386 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)[C@@H](C)C1 ZINC000477855782 1111579239 /nfs/dbraw/zinc/57/92/39/1111579239.db2.gz IUSUUQNLMCZSAM-LRDDRELGSA-N 2 1 354.325 4.337 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156933 1111596082 /nfs/dbraw/zinc/59/60/82/1111596082.db2.gz CJWDRZLQARPWLJ-VXKWHMMOSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156933 1111596083 /nfs/dbraw/zinc/59/60/83/1111596083.db2.gz CJWDRZLQARPWLJ-VXKWHMMOSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156933 1111596086 /nfs/dbraw/zinc/59/60/86/1111596086.db2.gz CJWDRZLQARPWLJ-VXKWHMMOSA-N 2 1 354.538 4.076 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477930992 1111605903 /nfs/dbraw/zinc/60/59/03/1111605903.db2.gz BWUPZKQLKROGHO-OTUUDDROSA-N 2 1 364.533 4.264 20 0 FIADMP CC[N@H+](Cc1conc1Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000552243212 1111634932 /nfs/dbraw/zinc/63/49/32/1111634932.db2.gz RMBVJBXPMIIOGE-UHFFFAOYSA-N 2 1 363.505 4.349 20 0 FIADMP CC[N@@H+](Cc1conc1Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000552243212 1111634936 /nfs/dbraw/zinc/63/49/36/1111634936.db2.gz RMBVJBXPMIIOGE-UHFFFAOYSA-N 2 1 363.505 4.349 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552338233 1111678872 /nfs/dbraw/zinc/67/88/72/1111678872.db2.gz BSSSJJRBSPYJSX-OKZBNKHCSA-N 2 1 352.444 4.219 20 0 FIADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000478549402 1111806845 /nfs/dbraw/zinc/80/68/45/1111806845.db2.gz NCATYKZOZVNPHK-OAQYLSRUSA-N 2 1 360.505 4.113 20 0 FIADMP CC1(C)CC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC(C)(C)[NH2+]1 ZINC000479327785 1111993501 /nfs/dbraw/zinc/99/35/01/1111993501.db2.gz RJDJWGBRMWQNKH-IBGZPJMESA-N 2 1 352.526 4.149 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464292 1112034669 /nfs/dbraw/zinc/03/46/69/1112034669.db2.gz LPCSBUDWUKUGQD-FPOVZHCZSA-N 2 1 360.505 4.045 20 0 FIADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000553678502 1112049477 /nfs/dbraw/zinc/04/94/77/1112049477.db2.gz DXRBLFLKSRQGSP-DZGCQCFKSA-N 2 1 360.299 4.060 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000479541075 1112062588 /nfs/dbraw/zinc/06/25/88/1112062588.db2.gz HKZZCZNWVYNNEM-JEYLPNPQSA-N 2 1 367.331 4.125 20 0 FIADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000479548880 1112065170 /nfs/dbraw/zinc/06/51/70/1112065170.db2.gz FLOUHDBVEMGMPH-JMLCCBQJSA-N 2 1 354.416 4.179 20 0 FIADMP COc1c(Br)cccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000479547085 1112065184 /nfs/dbraw/zinc/06/51/84/1112065184.db2.gz APHWUFLCDWDFQA-HNNXBMFYSA-N 2 1 369.347 4.059 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(Cc4cccc(F)c4)CCC3)sc2C1 ZINC000479871237 1112170536 /nfs/dbraw/zinc/17/05/36/1112170536.db2.gz CZNCFWLCBFWCSZ-UHFFFAOYSA-N 2 1 373.541 4.304 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(Cc4cccc(F)c4)CCC3)sc2C1 ZINC000479871237 1112170541 /nfs/dbraw/zinc/17/05/41/1112170541.db2.gz CZNCFWLCBFWCSZ-UHFFFAOYSA-N 2 1 373.541 4.304 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000479872168 1112171540 /nfs/dbraw/zinc/17/15/40/1112171540.db2.gz HIVWGHGDCGTGNS-MSOLQXFVSA-N 2 1 360.546 4.132 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000479872171 1112171582 /nfs/dbraw/zinc/17/15/82/1112171582.db2.gz HIVWGHGDCGTGNS-ZWKOTPCHSA-N 2 1 360.546 4.132 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1OC(F)F ZINC000479920149 1112199386 /nfs/dbraw/zinc/19/93/86/1112199386.db2.gz ABTORPBBBRYAHR-HUUCEWRRSA-N 2 1 356.457 4.212 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1OC(F)F ZINC000479920149 1112199388 /nfs/dbraw/zinc/19/93/88/1112199388.db2.gz ABTORPBBBRYAHR-HUUCEWRRSA-N 2 1 356.457 4.212 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000480050108 1112253433 /nfs/dbraw/zinc/25/34/33/1112253433.db2.gz UDTOYGJNZXIGOK-GFCCVEGCSA-N 2 1 354.922 4.317 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@H](C)C1 ZINC000480190269 1112327370 /nfs/dbraw/zinc/32/73/70/1112327370.db2.gz AIROJJASDNFEBX-IRLDBZIGSA-N 2 1 358.570 4.225 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@@H](C)C1 ZINC000480190270 1112327421 /nfs/dbraw/zinc/32/74/21/1112327421.db2.gz AIROJJASDNFEBX-RBBKRZOGSA-N 2 1 358.570 4.225 20 0 FIADMP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480243864 1112341616 /nfs/dbraw/zinc/34/16/16/1112341616.db2.gz WMEGSOFSCBASAI-YDIMBITNSA-N 2 1 364.533 4.381 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664287 1112395510 /nfs/dbraw/zinc/39/55/10/1112395510.db2.gz HPQJNSKXAXOQOY-LPHOPBHVSA-N 2 1 357.473 4.318 20 0 FIADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3nccn3-c3ccccc3)c2)CC1 ZINC000480362113 1112401850 /nfs/dbraw/zinc/40/18/50/1112401850.db2.gz YADBOUSJDDTZKE-UHFFFAOYSA-N 2 1 374.532 4.394 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000554811631 1112507733 /nfs/dbraw/zinc/50/77/33/1112507733.db2.gz MHKKEPPCVNEBHA-YUVXSKOASA-N 2 1 356.554 4.224 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000480633452 1112522290 /nfs/dbraw/zinc/52/22/90/1112522290.db2.gz GBQOMFRBXUNKLC-UHFFFAOYSA-N 2 1 364.533 4.272 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000554893228 1112557661 /nfs/dbraw/zinc/55/76/61/1112557661.db2.gz OIPQFPUUQSVLNT-LVCYWYKZSA-N 2 1 354.542 4.139 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000554893228 1112557667 /nfs/dbraw/zinc/55/76/67/1112557667.db2.gz OIPQFPUUQSVLNT-LVCYWYKZSA-N 2 1 354.542 4.139 20 0 FIADMP Fc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccc(F)c2)c1 ZINC000480742150 1112580698 /nfs/dbraw/zinc/58/06/98/1112580698.db2.gz BLDKFABCCZHPOP-HTAPYJJXSA-N 2 1 356.460 4.323 20 0 FIADMP Fc1cccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccc(F)c2)c1 ZINC000480742151 1112580985 /nfs/dbraw/zinc/58/09/85/1112580985.db2.gz BLDKFABCCZHPOP-JTSKRJEESA-N 2 1 356.460 4.323 20 0 FIADMP CCCc1csc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000554980406 1112597040 /nfs/dbraw/zinc/59/70/40/1112597040.db2.gz AIXXKMJHHOHMTL-IBGZPJMESA-N 2 1 357.567 4.488 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480810378 1112615540 /nfs/dbraw/zinc/61/55/40/1112615540.db2.gz DYVQUYMOWXFHPL-WMZHIEFXSA-N 2 1 352.522 4.223 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc(C)c1F ZINC000480876869 1112651018 /nfs/dbraw/zinc/65/10/18/1112651018.db2.gz IBARZDCGCRHUBT-IBGZPJMESA-N 2 1 369.528 4.041 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897112 1112661252 /nfs/dbraw/zinc/66/12/52/1112661252.db2.gz FGXUHJLHGPNXPS-XUZZJYLKSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897112 1112661255 /nfs/dbraw/zinc/66/12/55/1112661255.db2.gz FGXUHJLHGPNXPS-XUZZJYLKSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC001649004386 1112661746 /nfs/dbraw/zinc/66/17/46/1112661746.db2.gz FNDSLJKJLJLFPY-YKSBVNFPSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001649004386 1112661748 /nfs/dbraw/zinc/66/17/48/1112661748.db2.gz FNDSLJKJLJLFPY-YKSBVNFPSA-N 2 1 369.597 4.141 20 0 FIADMP FC(F)(F)c1cc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168365128 1112692324 /nfs/dbraw/zinc/69/23/24/1112692324.db2.gz MGQKGYYOULLWSJ-GOSISDBHSA-N 2 1 353.432 4.016 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)C1 ZINC000481302053 1112887722 /nfs/dbraw/zinc/88/77/22/1112887722.db2.gz BYJKTPLNOAJDCV-WMZOPIPTSA-N 2 1 355.551 4.427 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3C)CC1)CC2 ZINC000481331298 1112903218 /nfs/dbraw/zinc/90/32/18/1112903218.db2.gz IPIWYCXPQVQAOB-HSZRJFAPSA-N 2 1 350.506 4.245 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cnn1-c1cc(C)ccc1C ZINC000481441987 1112943917 /nfs/dbraw/zinc/94/39/17/1112943917.db2.gz HPZPMTVWUXLDMP-GOSISDBHSA-N 2 1 366.553 4.465 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000481553217 1112975929 /nfs/dbraw/zinc/97/59/29/1112975929.db2.gz RPTNXQZUTJNEJV-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000481553217 1112975932 /nfs/dbraw/zinc/97/59/32/1112975932.db2.gz RPTNXQZUTJNEJV-VQTJNVASSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000481555070 1112980363 /nfs/dbraw/zinc/98/03/63/1112980363.db2.gz CUSOUIJJYSKNHM-MFEFFIJZSA-N 2 1 368.496 4.070 20 0 FIADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000481555070 1112980365 /nfs/dbraw/zinc/98/03/65/1112980365.db2.gz CUSOUIJJYSKNHM-MFEFFIJZSA-N 2 1 368.496 4.070 20 0 FIADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481586608 1112987055 /nfs/dbraw/zinc/98/70/55/1112987055.db2.gz YJYBRJYGXZXNPJ-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481586608 1112987057 /nfs/dbraw/zinc/98/70/57/1112987057.db2.gz YJYBRJYGXZXNPJ-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000481717545 1113047082 /nfs/dbraw/zinc/04/70/82/1113047082.db2.gz KMHXLJSJUFHBMR-CQSZACIVSA-N 2 1 350.865 4.270 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000481724324 1113055573 /nfs/dbraw/zinc/05/55/73/1113055573.db2.gz HCDHCLYXIZTPKB-WMZHIEFXSA-N 2 1 359.517 4.278 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732136 1113059026 /nfs/dbraw/zinc/05/90/26/1113059026.db2.gz DWZRYNCQVUZFRU-DLBZAZTESA-N 2 1 355.295 4.113 20 0 FIADMP CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCn1cc[nH+]c1C ZINC000481813068 1113091004 /nfs/dbraw/zinc/09/10/04/1113091004.db2.gz FIJOTACPSCJGDV-QGZVFWFLSA-N 2 1 364.331 4.297 20 0 FIADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000481813068 1113091010 /nfs/dbraw/zinc/09/10/10/1113091010.db2.gz FIJOTACPSCJGDV-QGZVFWFLSA-N 2 1 364.331 4.297 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)[C@H](C)C1 ZINC000482074769 1113172140 /nfs/dbraw/zinc/17/21/40/1113172140.db2.gz KYNHVFUTXQYOBK-YXTQBTIXSA-N 2 1 362.533 4.188 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000482236555 1113206278 /nfs/dbraw/zinc/20/62/78/1113206278.db2.gz AGVCTHUZYULKNS-FXAWDEMLSA-N 2 1 364.961 4.098 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000482236557 1113206577 /nfs/dbraw/zinc/20/65/77/1113206577.db2.gz AGVCTHUZYULKNS-XLIONFOSSA-N 2 1 364.961 4.098 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000482257991 1113208932 /nfs/dbraw/zinc/20/89/32/1113208932.db2.gz KMAWIKOVIQAVKY-FXAWDEMLSA-N 2 1 357.567 4.274 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000482257991 1113208934 /nfs/dbraw/zinc/20/89/34/1113208934.db2.gz KMAWIKOVIQAVKY-FXAWDEMLSA-N 2 1 357.567 4.274 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339592 1113229518 /nfs/dbraw/zinc/22/95/18/1113229518.db2.gz VRUXCEIQJXEZJM-RDPSFJRHSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339592 1113229520 /nfs/dbraw/zinc/22/95/20/1113229520.db2.gz VRUXCEIQJXEZJM-RDPSFJRHSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339592 1113229521 /nfs/dbraw/zinc/22/95/21/1113229521.db2.gz VRUXCEIQJXEZJM-RDPSFJRHSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339592 1113229523 /nfs/dbraw/zinc/22/95/23/1113229523.db2.gz VRUXCEIQJXEZJM-RDPSFJRHSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000482339592 1113229524 /nfs/dbraw/zinc/22/95/24/1113229524.db2.gz VRUXCEIQJXEZJM-RDPSFJRHSA-N 2 1 365.565 4.139 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000482345922 1113231011 /nfs/dbraw/zinc/23/10/11/1113231011.db2.gz SURIJBXDBAMLFI-ACJLOTCBSA-N 2 1 369.322 4.286 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000482355135 1113231564 /nfs/dbraw/zinc/23/15/64/1113231564.db2.gz DVQOHQSPZXJYBE-KBPBESRZSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000482355135 1113231569 /nfs/dbraw/zinc/23/15/69/1113231569.db2.gz DVQOHQSPZXJYBE-KBPBESRZSA-N 2 1 357.311 4.359 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1OC ZINC000482433638 1113252960 /nfs/dbraw/zinc/25/29/60/1113252960.db2.gz CWKVAGBFXQDVDK-IRLDBZIGSA-N 2 1 352.522 4.301 20 0 FIADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453350 1113265068 /nfs/dbraw/zinc/26/50/68/1113265068.db2.gz VFFMNLQTNAKZRZ-DHIUTWEWSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453350 1113265072 /nfs/dbraw/zinc/26/50/72/1113265072.db2.gz VFFMNLQTNAKZRZ-DHIUTWEWSA-N 2 1 352.522 4.282 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](Cc3ccccc3)C3CC3)CCCC2)CC1 ZINC000482638508 1113317122 /nfs/dbraw/zinc/31/71/22/1113317122.db2.gz QFDQFARWIZTHQI-JOCHJYFZSA-N 2 1 356.554 4.021 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000482652749 1113323439 /nfs/dbraw/zinc/32/34/39/1113323439.db2.gz ULDRTRJZDOPMLC-UTKZUKDTSA-N 2 1 356.485 4.225 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4ccccc4C[C@@H]3C)CC2)cs1 ZINC000482866978 1113381291 /nfs/dbraw/zinc/38/12/91/1113381291.db2.gz MZTBCIUGPJFSQR-KSFYIVLOSA-N 2 1 369.578 4.441 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(OCCCc2ccccc2)c1 ZINC000482906548 1113396522 /nfs/dbraw/zinc/39/65/22/1113396522.db2.gz WPMKRSDLBDXZNQ-GBXCKJPGSA-N 2 1 366.549 4.171 20 0 FIADMP COc1ccc(C[N@H+](CCC[NH+]2CCCCC2)CCc2ccccn2)cc1 ZINC000483072620 1113436557 /nfs/dbraw/zinc/43/65/57/1113436557.db2.gz WHGAKUSYAQYXFQ-UHFFFAOYSA-N 2 1 367.537 4.011 20 0 FIADMP COc1ccc(C[N@@H+](CCC[NH+]2CCCCC2)CCc2ccccn2)cc1 ZINC000483072620 1113436558 /nfs/dbraw/zinc/43/65/58/1113436558.db2.gz WHGAKUSYAQYXFQ-UHFFFAOYSA-N 2 1 367.537 4.011 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000483175955 1113457828 /nfs/dbraw/zinc/45/78/28/1113457828.db2.gz IWWHXTJAIQPTCP-YTQUADARSA-N 2 1 370.459 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000483175955 1113457830 /nfs/dbraw/zinc/45/78/30/1113457830.db2.gz IWWHXTJAIQPTCP-YTQUADARSA-N 2 1 370.459 4.103 20 0 FIADMP CCC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(OC)cc1 ZINC000483168554 1113459983 /nfs/dbraw/zinc/45/99/83/1113459983.db2.gz MICUXTIYXBAOBU-NRFANRHFSA-N 2 1 353.510 4.498 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486381620 1113557065 /nfs/dbraw/zinc/55/70/65/1113557065.db2.gz YFHZXQZYVIZTLJ-LPHOPBHVSA-N 2 1 355.551 4.411 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486381620 1113557066 /nfs/dbraw/zinc/55/70/66/1113557066.db2.gz YFHZXQZYVIZTLJ-LPHOPBHVSA-N 2 1 355.551 4.411 20 0 FIADMP COc1cc(C)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000486522132 1113587675 /nfs/dbraw/zinc/58/76/75/1113587675.db2.gz YCJRZYCGTHPXMR-AZUAARDMSA-N 2 1 368.521 4.012 20 0 FIADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000486521725 1113590262 /nfs/dbraw/zinc/59/02/62/1113590262.db2.gz XAIMUVYCQQSQBA-FXAWDEMLSA-N 2 1 370.562 4.417 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)cc1F ZINC000486706707 1113626698 /nfs/dbraw/zinc/62/66/98/1113626698.db2.gz GKMGXKMPUSDGPX-UHFFFAOYSA-N 2 1 352.388 4.230 20 0 FIADMP C[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708704 1113627137 /nfs/dbraw/zinc/62/71/37/1113627137.db2.gz KDCLBLUVLKJJPN-QFBILLFUSA-N 2 1 351.469 4.307 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000488107721 1113855704 /nfs/dbraw/zinc/85/57/04/1113855704.db2.gz GZIBMBSDYPZAJW-XYEHWOGUSA-N 2 1 354.538 4.108 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279748 1114014742 /nfs/dbraw/zinc/01/47/42/1114014742.db2.gz XPSJLPYMENQRRT-NHCUHLMSSA-N 2 1 362.517 4.340 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279748 1114014747 /nfs/dbraw/zinc/01/47/47/1114014747.db2.gz XPSJLPYMENQRRT-NHCUHLMSSA-N 2 1 362.517 4.340 20 0 FIADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1C(F)(F)F ZINC001212142772 1114230012 /nfs/dbraw/zinc/23/00/12/1114230012.db2.gz SPPMZZDILFADFT-HNNXBMFYSA-N 2 1 370.419 4.232 20 0 FIADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490653925 1114311843 /nfs/dbraw/zinc/31/18/43/1114311843.db2.gz WAUMGIBEYRGBLE-NFBKMPQASA-N 2 1 371.613 4.059 20 0 FIADMP FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055653 1114368053 /nfs/dbraw/zinc/36/80/53/1114368053.db2.gz HHVGQOJPMWHNJZ-GOSISDBHSA-N 2 1 352.469 4.376 20 0 FIADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055653 1114368056 /nfs/dbraw/zinc/36/80/56/1114368056.db2.gz HHVGQOJPMWHNJZ-GOSISDBHSA-N 2 1 352.469 4.376 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000586789358 1114393737 /nfs/dbraw/zinc/39/37/37/1114393737.db2.gz SNLBBHPYUYJCBN-AEFFLSMTSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000586789358 1114393743 /nfs/dbraw/zinc/39/37/43/1114393743.db2.gz SNLBBHPYUYJCBN-AEFFLSMTSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000586789358 1114393748 /nfs/dbraw/zinc/39/37/48/1114393748.db2.gz SNLBBHPYUYJCBN-AEFFLSMTSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000586789359 1114393966 /nfs/dbraw/zinc/39/39/66/1114393966.db2.gz SNLBBHPYUYJCBN-FUHWJXTLSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000586789359 1114393969 /nfs/dbraw/zinc/39/39/69/1114393969.db2.gz SNLBBHPYUYJCBN-FUHWJXTLSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000586789359 1114393973 /nfs/dbraw/zinc/39/39/73/1114393973.db2.gz SNLBBHPYUYJCBN-FUHWJXTLSA-N 2 1 372.534 4.098 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC001212145004 1114416879 /nfs/dbraw/zinc/41/68/79/1114416879.db2.gz IZWTXQBHEZGTNJ-KRWDZBQOSA-N 2 1 360.502 4.082 20 0 FIADMP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000588178124 1114549608 /nfs/dbraw/zinc/54/96/08/1114549608.db2.gz NXAOYWJWPUEOAL-DTBYZMGXSA-N 2 1 350.506 4.100 20 0 FIADMP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000588178124 1114549613 /nfs/dbraw/zinc/54/96/13/1114549613.db2.gz NXAOYWJWPUEOAL-DTBYZMGXSA-N 2 1 350.506 4.100 20 0 FIADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572285023 1114632604 /nfs/dbraw/zinc/63/26/04/1114632604.db2.gz RGELQCMWXQHLFX-OAQYLSRUSA-N 2 1 350.506 4.025 20 0 FIADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572285023 1114632607 /nfs/dbraw/zinc/63/26/07/1114632607.db2.gz RGELQCMWXQHLFX-OAQYLSRUSA-N 2 1 350.506 4.025 20 0 FIADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572855920 1114807202 /nfs/dbraw/zinc/80/72/02/1114807202.db2.gz RURPNGZNADVVHS-KRWDZBQOSA-N 2 1 352.526 4.400 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000589835375 1114846202 /nfs/dbraw/zinc/84/62/02/1114846202.db2.gz HJJAZSFXLLBYKO-HZPDHXFCSA-N 2 1 358.448 4.085 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000589837696 1114847814 /nfs/dbraw/zinc/84/78/14/1114847814.db2.gz YUZLRIGIONTQGV-CALCHBBNSA-N 2 1 372.475 4.475 20 0 FIADMP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786826 1114974583 /nfs/dbraw/zinc/97/45/83/1114974583.db2.gz NZXAPCYYLLWVOK-SIKLNZKXSA-N 2 1 373.585 4.085 20 0 FIADMP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000574395585 1115359507 /nfs/dbraw/zinc/35/95/07/1115359507.db2.gz CGXZRMMUEPSFGC-UWJYYQICSA-N 2 1 351.494 4.008 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCCC2=O)cc1 ZINC000157891659 1115381320 /nfs/dbraw/zinc/38/13/20/1115381320.db2.gz PGCGMSHMCFGMIM-OALUTQOASA-N 2 1 357.542 4.119 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000594602280 1115463446 /nfs/dbraw/zinc/46/34/46/1115463446.db2.gz WVOMYMBUMFVBRO-INIZCTEOSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000594602280 1115463448 /nfs/dbraw/zinc/46/34/48/1115463448.db2.gz WVOMYMBUMFVBRO-INIZCTEOSA-N 2 1 370.493 4.039 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc(O)c1 ZINC000669617960 1115673064 /nfs/dbraw/zinc/67/30/64/1115673064.db2.gz MIRPLCFMBPGTRZ-RMVZNSSTSA-N 2 1 350.506 4.344 20 0 FIADMP COc1cccc(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1F ZINC000669679692 1115773981 /nfs/dbraw/zinc/77/39/81/1115773981.db2.gz AMJDSYPWHIYCCG-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1F ZINC000669679692 1115773984 /nfs/dbraw/zinc/77/39/84/1115773984.db2.gz AMJDSYPWHIYCCG-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1F ZINC000669679692 1115773987 /nfs/dbraw/zinc/77/39/87/1115773987.db2.gz AMJDSYPWHIYCCG-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP Oc1ccc([C@@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000607151093 1116003451 /nfs/dbraw/zinc/00/34/51/1116003451.db2.gz WRPCOOIFTQVOEI-GOTSBHOMSA-N 2 1 366.505 4.462 20 0 FIADMP C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000456291083 1116174756 /nfs/dbraw/zinc/17/47/56/1116174756.db2.gz YRRDKOKWAJUVCL-UXHICEINSA-N 2 1 371.912 4.130 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000534497309 1116207771 /nfs/dbraw/zinc/20/77/71/1116207771.db2.gz QSWGCVRFHSHDHV-GOSISDBHSA-N 2 1 370.562 4.482 20 0 FIADMP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000534793736 1116237254 /nfs/dbraw/zinc/23/72/54/1116237254.db2.gz OGCSDONZJDVUJY-QGZVFWFLSA-N 2 1 369.734 4.306 20 0 FIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(Br)c2)CC1 ZINC000539408341 1116332650 /nfs/dbraw/zinc/33/26/50/1116332650.db2.gz FYNXLSOGHOMLDF-UHFFFAOYSA-N 2 1 359.739 4.407 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(Br)c2)CC1 ZINC000539408341 1116332652 /nfs/dbraw/zinc/33/26/52/1116332652.db2.gz FYNXLSOGHOMLDF-UHFFFAOYSA-N 2 1 359.739 4.407 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577553 1116347491 /nfs/dbraw/zinc/34/74/91/1116347491.db2.gz RVMQMONLAAOIJO-QZTJIDSGSA-N 2 1 351.416 4.478 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577553 1116347493 /nfs/dbraw/zinc/34/74/93/1116347493.db2.gz RVMQMONLAAOIJO-QZTJIDSGSA-N 2 1 351.416 4.478 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000539821204 1116385792 /nfs/dbraw/zinc/38/57/92/1116385792.db2.gz NFVUUFZRXZRLGC-YJBOKZPZSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000539821204 1116385794 /nfs/dbraw/zinc/38/57/94/1116385794.db2.gz NFVUUFZRXZRLGC-YJBOKZPZSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000539821204 1116385796 /nfs/dbraw/zinc/38/57/96/1116385796.db2.gz NFVUUFZRXZRLGC-YJBOKZPZSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000539821204 1116385798 /nfs/dbraw/zinc/38/57/98/1116385798.db2.gz NFVUUFZRXZRLGC-YJBOKZPZSA-N 2 1 368.949 4.300 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000462690327 1116391306 /nfs/dbraw/zinc/39/13/06/1116391306.db2.gz ZHGHTSLWCCKMPH-HOTGVXAUSA-N 2 1 358.448 4.085 20 0 FIADMP CCCn1nc(C)c(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000539863339 1116392707 /nfs/dbraw/zinc/39/27/07/1116392707.db2.gz WHZCKLNNDJEYDM-QFIPXVFZSA-N 2 1 368.569 4.254 20 0 FIADMP CCCn1nc(C)c(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000539863339 1116392708 /nfs/dbraw/zinc/39/27/08/1116392708.db2.gz WHZCKLNNDJEYDM-QFIPXVFZSA-N 2 1 368.569 4.254 20 0 FIADMP CCCn1nc(C)c(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000539863339 1116392709 /nfs/dbraw/zinc/39/27/09/1116392709.db2.gz WHZCKLNNDJEYDM-QFIPXVFZSA-N 2 1 368.569 4.254 20 0 FIADMP CCCn1nc(C)c(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000539863339 1116392711 /nfs/dbraw/zinc/39/27/11/1116392711.db2.gz WHZCKLNNDJEYDM-QFIPXVFZSA-N 2 1 368.569 4.254 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Oc1cccc(Cl)c1 ZINC000462732780 1117740016 /nfs/dbraw/zinc/74/00/16/1117740016.db2.gz DVVRKKXMZZHGHT-KRWDZBQOSA-N 2 1 358.913 4.362 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccccc3)[C@H]3CCOC3)CC2)cc1 ZINC000540137208 1117900939 /nfs/dbraw/zinc/90/09/39/1117900939.db2.gz OLEKQJFFQDZWJX-LADGPHEKSA-N 2 1 364.533 4.061 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@H](C)C1 ZINC000540169454 1117912302 /nfs/dbraw/zinc/91/23/02/1117912302.db2.gz TUTMNJQGOOOFLU-XXBNENTESA-N 2 1 354.538 4.109 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000463037033 1117930021 /nfs/dbraw/zinc/93/00/21/1117930021.db2.gz VNLKGOSLEAVZRQ-GDAAHCPNSA-N 2 1 350.572 4.313 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000463037033 1117930023 /nfs/dbraw/zinc/93/00/23/1117930023.db2.gz VNLKGOSLEAVZRQ-GDAAHCPNSA-N 2 1 350.572 4.313 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463080681 1117953094 /nfs/dbraw/zinc/95/30/94/1117953094.db2.gz DDDBCZKZTASXQS-CTNGQTDRSA-N 2 1 362.521 4.069 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000463080681 1117953098 /nfs/dbraw/zinc/95/30/98/1117953098.db2.gz DDDBCZKZTASXQS-CTNGQTDRSA-N 2 1 362.521 4.069 20 0 FIADMP Cc1cccc(OC[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463075637 1117959244 /nfs/dbraw/zinc/95/92/44/1117959244.db2.gz CNJLSUVQCNLJLV-HXUWFJFHSA-N 2 1 352.522 4.059 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463096081 1117964142 /nfs/dbraw/zinc/96/41/42/1117964142.db2.gz GPQJYQDSMDRRMS-HXUWFJFHSA-N 2 1 356.558 4.179 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000463108974 1117968352 /nfs/dbraw/zinc/96/83/52/1117968352.db2.gz IIXRUQSWZLMBDT-NQIIRXRSSA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000463108974 1117968354 /nfs/dbraw/zinc/96/83/54/1117968354.db2.gz IIXRUQSWZLMBDT-NQIIRXRSSA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000463108974 1117968356 /nfs/dbraw/zinc/96/83/56/1117968356.db2.gz IIXRUQSWZLMBDT-NQIIRXRSSA-N 2 1 356.558 4.177 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000463116942 1117977763 /nfs/dbraw/zinc/97/77/63/1117977763.db2.gz QZJHQKQBUXIYJA-KRWDZBQOSA-N 2 1 358.476 4.365 20 0 FIADMP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463145009 1117982253 /nfs/dbraw/zinc/98/22/53/1117982253.db2.gz LUZAQYZBBZAVJU-IBGZPJMESA-N 2 1 354.513 4.444 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463138932 1117986791 /nfs/dbraw/zinc/98/67/91/1117986791.db2.gz FOHSSHHHXRJPBD-GOSISDBHSA-N 2 1 363.977 4.159 20 0 FIADMP CCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000463157790 1117987771 /nfs/dbraw/zinc/98/77/71/1117987771.db2.gz ZZPKAGQVSOTRET-UHFFFAOYSA-N 2 1 356.485 4.021 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000463150702 1117993363 /nfs/dbraw/zinc/99/33/63/1117993363.db2.gz XMIREHFMXWXMTB-QZTJIDSGSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000463150702 1117993369 /nfs/dbraw/zinc/99/33/69/1117993369.db2.gz XMIREHFMXWXMTB-QZTJIDSGSA-N 2 1 363.977 4.157 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463187613 1118016543 /nfs/dbraw/zinc/01/65/43/1118016543.db2.gz CAOWVCANWUDRRR-QKNQBKEWSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463187613 1118016551 /nfs/dbraw/zinc/01/65/51/1118016551.db2.gz CAOWVCANWUDRRR-QKNQBKEWSA-N 2 1 368.521 4.105 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463189139 1118018693 /nfs/dbraw/zinc/01/86/93/1118018693.db2.gz JCSLHHWXUIMOHF-JVODISISSA-N 2 1 366.549 4.184 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463189139 1118018699 /nfs/dbraw/zinc/01/86/99/1118018699.db2.gz JCSLHHWXUIMOHF-JVODISISSA-N 2 1 366.549 4.184 20 0 FIADMP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463207984 1118021887 /nfs/dbraw/zinc/02/18/87/1118021887.db2.gz VAQSRFDPHDPOJB-LEWJYISDSA-N 2 1 364.574 4.487 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463284166 1118070879 /nfs/dbraw/zinc/07/08/79/1118070879.db2.gz VCTWDTXQTWMXIO-RXVVDRJESA-N 2 1 365.521 4.156 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463284166 1118070886 /nfs/dbraw/zinc/07/08/86/1118070886.db2.gz VCTWDTXQTWMXIO-RXVVDRJESA-N 2 1 365.521 4.156 20 0 FIADMP CSCc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463292332 1118076512 /nfs/dbraw/zinc/07/65/12/1118076512.db2.gz ZXYDSWQLULTKKV-UHFFFAOYSA-N 2 1 354.563 4.346 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463289924 1118086416 /nfs/dbraw/zinc/08/64/16/1118086416.db2.gz QYJHMNKCKOVGKG-PXNSSMCTSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463289924 1118086420 /nfs/dbraw/zinc/08/64/20/1118086420.db2.gz QYJHMNKCKOVGKG-PXNSSMCTSA-N 2 1 374.475 4.473 20 0 FIADMP CCc1ccc([C@H](CC)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000540992090 1118342162 /nfs/dbraw/zinc/34/21/62/1118342162.db2.gz UVJQBSCUYXWKME-RPWUZVMVSA-N 2 1 366.549 4.447 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000541215498 1118431099 /nfs/dbraw/zinc/43/10/99/1118431099.db2.gz DVNKLMSHNCLXKQ-KCZVDYSFSA-N 2 1 368.569 4.285 20 0 FIADMP C[C@H](CC[NH2+]Cc1ccccc1OCc1ccncc1)[NH+]1CCCCC1 ZINC000541370784 1118488091 /nfs/dbraw/zinc/48/80/91/1118488091.db2.gz LVTDMSQRKQRHGI-LJQANCHMSA-N 2 1 353.510 4.015 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000541536194 1118553670 /nfs/dbraw/zinc/55/36/70/1118553670.db2.gz DLXXPRJKYABIRL-NRFANRHFSA-N 2 1 350.441 4.442 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](C)Cc3ccccc3)CC2)cs1 ZINC000541587780 1118577557 /nfs/dbraw/zinc/57/75/57/1118577557.db2.gz SUCGOMTYPDEKIG-SFHVURJKSA-N 2 1 371.594 4.386 20 0 FIADMP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609133519 1118604980 /nfs/dbraw/zinc/60/49/80/1118604980.db2.gz PSEZVVUZQHPHGV-UHFFFAOYSA-N 2 1 374.550 4.240 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916289 1118706969 /nfs/dbraw/zinc/70/69/69/1118706969.db2.gz FDZPVNSOZPVQGH-WMLDXEAASA-N 2 1 360.489 4.431 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916289 1118706971 /nfs/dbraw/zinc/70/69/71/1118706971.db2.gz FDZPVNSOZPVQGH-WMLDXEAASA-N 2 1 360.489 4.431 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2Br)C[C@@H]1C ZINC000542279469 1118879581 /nfs/dbraw/zinc/87/95/81/1118879581.db2.gz XWBWSVOORDZIFE-RDJZCZTQSA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2Br)C[C@@H]1C ZINC000542279469 1118879583 /nfs/dbraw/zinc/87/95/83/1118879583.db2.gz XWBWSVOORDZIFE-RDJZCZTQSA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2Br)C[C@@H]1C ZINC000542279469 1118879586 /nfs/dbraw/zinc/87/95/86/1118879586.db2.gz XWBWSVOORDZIFE-RDJZCZTQSA-N 2 1 353.348 4.186 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2Br)C[C@H]1C ZINC000542279468 1118880059 /nfs/dbraw/zinc/88/00/59/1118880059.db2.gz XWBWSVOORDZIFE-NVXWUHKLSA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2Br)C[C@H]1C ZINC000542279468 1118880065 /nfs/dbraw/zinc/88/00/65/1118880065.db2.gz XWBWSVOORDZIFE-NVXWUHKLSA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2Br)C[C@H]1C ZINC000542279468 1118880071 /nfs/dbraw/zinc/88/00/71/1118880071.db2.gz XWBWSVOORDZIFE-NVXWUHKLSA-N 2 1 353.348 4.186 20 0 FIADMP C[NH+]1CCC([NH2+]C[C@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000492131054 1119030354 /nfs/dbraw/zinc/03/03/54/1119030354.db2.gz NFPFKHSCRLICCF-NRFANRHFSA-N 2 1 358.913 4.282 20 0 FIADMP Cc1ccc(C)c([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000492223660 1119051008 /nfs/dbraw/zinc/05/10/08/1119051008.db2.gz LTZJIRORCGNOPG-UPVQGACJSA-N 2 1 366.549 4.219 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000492251451 1119058126 /nfs/dbraw/zinc/05/81/26/1119058126.db2.gz HVSLCUCRPCWUDC-YADHBBJMSA-N 2 1 372.940 4.256 20 0 FIADMP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492371743 1119080466 /nfs/dbraw/zinc/08/04/66/1119080466.db2.gz DQPRDTFOJCZCMD-QUCCMNQESA-N 2 1 356.485 4.095 20 0 FIADMP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492598587 1119141285 /nfs/dbraw/zinc/14/12/85/1119141285.db2.gz AYVPPUHJHVWOHV-FYYLOGMGSA-N 3 1 357.586 4.143 20 0 FIADMP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492598587 1119141288 /nfs/dbraw/zinc/14/12/88/1119141288.db2.gz AYVPPUHJHVWOHV-FYYLOGMGSA-N 2 1 357.586 4.143 20 0 FIADMP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492598590 1119141338 /nfs/dbraw/zinc/14/13/38/1119141338.db2.gz AYVPPUHJHVWOHV-JTHBVZDNSA-N 3 1 357.586 4.143 20 0 FIADMP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492598590 1119141341 /nfs/dbraw/zinc/14/13/41/1119141341.db2.gz AYVPPUHJHVWOHV-JTHBVZDNSA-N 2 1 357.586 4.143 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000175515175 1119211153 /nfs/dbraw/zinc/21/11/53/1119211153.db2.gz MGRFDDCSMOGKQF-BZSNNMDCSA-N 2 1 368.525 4.255 20 0 FIADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000177306442 1119322898 /nfs/dbraw/zinc/32/28/98/1119322898.db2.gz ADCASENZKDFSTF-JOCHJYFZSA-N 2 1 365.521 4.050 20 0 FIADMP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000177751645 1119349686 /nfs/dbraw/zinc/34/96/86/1119349686.db2.gz TVZQKTXFRJWNLF-XHSDSOJGSA-N 2 1 373.566 4.220 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311807394 1119389529 /nfs/dbraw/zinc/38/95/29/1119389529.db2.gz LHQQEMSQCKHTJH-BVSLBCMMSA-N 2 1 356.554 4.369 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311858859 1119392714 /nfs/dbraw/zinc/39/27/14/1119392714.db2.gz XFPPEIXYHHSJSV-GOSISDBHSA-N 2 1 364.411 4.197 20 0 FIADMP COCc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312048549 1119397605 /nfs/dbraw/zinc/39/76/05/1119397605.db2.gz AVZHJKGLYPITOH-HSZRJFAPSA-N 2 1 352.522 4.225 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916679 1119506083 /nfs/dbraw/zinc/50/60/83/1119506083.db2.gz MCLNFWTYHCWWTE-PBHICJAKSA-N 2 1 351.332 4.066 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493935289 1119511641 /nfs/dbraw/zinc/51/16/41/1119511641.db2.gz HZUOJBCBPKFGMR-LSJNQWAISA-N 2 1 365.359 4.405 20 0 FIADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000493952231 1119515341 /nfs/dbraw/zinc/51/53/41/1119515341.db2.gz IVYVCDQFENMIML-YCRPNKLZSA-N 2 1 353.441 4.186 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000189257356 1119877327 /nfs/dbraw/zinc/87/73/27/1119877327.db2.gz WQNGHFOKUFLRJR-NVFTXBOLSA-N 2 1 356.554 4.082 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000542487484 1119955418 /nfs/dbraw/zinc/95/54/18/1119955418.db2.gz KFDRJADWKIWPRK-IAGOWNOFSA-N 2 1 358.505 4.235 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374495 1119981133 /nfs/dbraw/zinc/98/11/33/1119981133.db2.gz XRAFDDDNGBPDSX-CTNGQTDRSA-N 2 1 360.505 4.045 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000192607861 1120070071 /nfs/dbraw/zinc/07/00/71/1120070071.db2.gz CANWTEBXYSOZCE-OFNKIYASSA-N 2 1 352.522 4.094 20 0 FIADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000195132594 1120119123 /nfs/dbraw/zinc/11/91/23/1120119123.db2.gz TYQIFNHIGDIPTK-UYAOXDASSA-N 2 1 368.521 4.185 20 0 FIADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139667 1120120674 /nfs/dbraw/zinc/12/06/74/1120120674.db2.gz IXRMNANMJYPRGC-QZTJIDSGSA-N 2 1 355.551 4.195 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494774773 1120184661 /nfs/dbraw/zinc/18/46/61/1120184661.db2.gz LCSBGDPSHBXSFA-VNHKHXMHSA-N 2 1 352.522 4.263 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169086 1120246382 /nfs/dbraw/zinc/24/63/82/1120246382.db2.gz AFRACIQKOKADJR-VPWXQRGCSA-N 2 1 350.934 4.270 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169086 1120246387 /nfs/dbraw/zinc/24/63/87/1120246387.db2.gz AFRACIQKOKADJR-VPWXQRGCSA-N 2 1 350.934 4.270 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(Cl)cs3)CC2)C[C@H](C)O1 ZINC000494985348 1120410679 /nfs/dbraw/zinc/41/06/79/1120410679.db2.gz JJEUPVFNFKHPAU-GASCZTMLSA-N 2 1 356.963 4.113 20 0 FIADMP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670153971 1120709954 /nfs/dbraw/zinc/70/99/54/1120709954.db2.gz SFLCCHJPFFMXGP-LMMKCTJWSA-N 2 1 363.343 4.433 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000232494526 1120731327 /nfs/dbraw/zinc/73/13/27/1120731327.db2.gz ZEQHHGUKCMHHAU-UHFFFAOYSA-N 2 1 359.739 4.455 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000303528985 1120769094 /nfs/dbraw/zinc/76/90/94/1120769094.db2.gz FJEGTNQXSHHZKG-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000303528985 1120769102 /nfs/dbraw/zinc/76/91/02/1120769102.db2.gz FJEGTNQXSHHZKG-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153480401 1120829190 /nfs/dbraw/zinc/82/91/90/1120829190.db2.gz PWGSPYRPTTWSJX-RTBURBONSA-N 2 1 368.521 4.157 20 0 FIADMP CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153480401 1120829196 /nfs/dbraw/zinc/82/91/96/1120829196.db2.gz PWGSPYRPTTWSJX-RTBURBONSA-N 2 1 368.521 4.157 20 0 FIADMP c1ccc(CCCOc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000236738777 1120969558 /nfs/dbraw/zinc/96/95/58/1120969558.db2.gz GZVFDGSOIVFTGP-QFIPXVFZSA-N 2 1 364.533 4.272 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000236783901 1120969974 /nfs/dbraw/zinc/96/99/74/1120969974.db2.gz WMHMAGTXGKSAEV-UHFFFAOYSA-N 2 1 352.522 4.271 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000542666286 1121024479 /nfs/dbraw/zinc/02/44/79/1121024479.db2.gz WZBMGDCOGVFYBU-XMSQKQJNSA-N 2 1 370.924 4.074 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc2ccccc12 ZINC000103143000 1121044878 /nfs/dbraw/zinc/04/48/78/1121044878.db2.gz DHJFROPQSGRWOG-UHFFFAOYSA-N 2 1 374.532 4.282 20 0 FIADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2cc(Br)ccc2o1 ZINC000322848776 1121110281 /nfs/dbraw/zinc/11/02/81/1121110281.db2.gz OFKVVZGGYDAJTR-RJPYNODJSA-N 2 1 363.299 4.471 20 0 FIADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2cc(Br)ccc2o1 ZINC000322848776 1121110287 /nfs/dbraw/zinc/11/02/87/1121110287.db2.gz OFKVVZGGYDAJTR-RJPYNODJSA-N 2 1 363.299 4.471 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@@H](C)C1 ZINC000624307314 1121152334 /nfs/dbraw/zinc/15/23/34/1121152334.db2.gz GXOQQTMDQNXYKJ-LPHOPBHVSA-N 2 1 372.475 4.018 20 0 FIADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000670272341 1121298658 /nfs/dbraw/zinc/29/86/58/1121298658.db2.gz VIQWGKNOIHFAJF-SFHVURJKSA-N 2 1 370.459 4.182 20 0 FIADMP CC(C)c1noc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844208 1121383464 /nfs/dbraw/zinc/38/34/64/1121383464.db2.gz SJIVXJDEKOGLDJ-KRWDZBQOSA-N 2 1 356.514 4.098 20 0 FIADMP CC(C)c1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844208 1121383475 /nfs/dbraw/zinc/38/34/75/1121383475.db2.gz SJIVXJDEKOGLDJ-KRWDZBQOSA-N 2 1 356.514 4.098 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123392003 1121481440 /nfs/dbraw/zinc/48/14/40/1121481440.db2.gz QEGOWROTCDUETR-CVEARBPZSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123392003 1121481445 /nfs/dbraw/zinc/48/14/45/1121481445.db2.gz QEGOWROTCDUETR-CVEARBPZSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123392003 1121481447 /nfs/dbraw/zinc/48/14/47/1121481447.db2.gz QEGOWROTCDUETR-CVEARBPZSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123392003 1121481449 /nfs/dbraw/zinc/48/14/49/1121481449.db2.gz QEGOWROTCDUETR-CVEARBPZSA-N 2 1 358.448 4.279 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC(F)F ZINC000060978713 1121503549 /nfs/dbraw/zinc/50/35/49/1121503549.db2.gz RHVWGTQALAWFJH-IYBDPMFKSA-N 2 1 370.484 4.144 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC(F)F ZINC000060978713 1121503555 /nfs/dbraw/zinc/50/35/55/1121503555.db2.gz RHVWGTQALAWFJH-IYBDPMFKSA-N 2 1 370.484 4.144 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccccc1 ZINC000061556920 1121521720 /nfs/dbraw/zinc/52/17/20/1121521720.db2.gz KOYDQRSDKFRRMD-UHFFFAOYSA-N 2 1 368.912 4.342 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763416168 1121580948 /nfs/dbraw/zinc/58/09/48/1121580948.db2.gz URZIVNLVNOQQDM-GIHONLOASA-N 2 1 370.512 4.280 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763416168 1121580955 /nfs/dbraw/zinc/58/09/55/1121580955.db2.gz URZIVNLVNOQQDM-GIHONLOASA-N 2 1 370.512 4.280 20 0 FIADMP C[C@H](CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)[N@H+](C)Cc1ccccc1 ZINC000671749833 1121710642 /nfs/dbraw/zinc/71/06/42/1121710642.db2.gz WZULTKQIXBBAKA-HZPDHXFCSA-N 2 1 353.466 4.095 20 0 FIADMP C[C@H](CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)[N@@H+](C)Cc1ccccc1 ZINC000671749833 1121710649 /nfs/dbraw/zinc/71/06/49/1121710649.db2.gz WZULTKQIXBBAKA-HZPDHXFCSA-N 2 1 353.466 4.095 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000065932397 1121723550 /nfs/dbraw/zinc/72/35/50/1121723550.db2.gz NSLWMOAHIGMISG-UHFFFAOYSA-N 2 1 357.404 4.442 20 0 FIADMP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671752424 1121735217 /nfs/dbraw/zinc/73/52/17/1121735217.db2.gz XOZUJGLQHINZPU-DLQXEOFGSA-N 2 1 366.549 4.184 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000671752042 1121738625 /nfs/dbraw/zinc/73/86/25/1121738625.db2.gz YJTFPBBFNOUMQK-IWAAJCSBSA-N 2 1 364.533 4.333 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507206 1121780738 /nfs/dbraw/zinc/78/07/38/1121780738.db2.gz QZLKUSFFCHHTEB-GOSISDBHSA-N 2 1 374.960 4.022 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507206 1121780744 /nfs/dbraw/zinc/78/07/44/1121780744.db2.gz QZLKUSFFCHHTEB-GOSISDBHSA-N 2 1 374.960 4.022 20 0 FIADMP Cc1[nH+]ccn1CCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000125497868 1121785299 /nfs/dbraw/zinc/78/52/99/1121785299.db2.gz VHOVMCHQRJKWMR-GOSISDBHSA-N 2 1 368.308 4.352 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000125533556 1121790071 /nfs/dbraw/zinc/79/00/71/1121790071.db2.gz WVAYFNPGNBPRKP-QGZVFWFLSA-N 2 1 360.933 4.004 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CCCOC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000671764653 1121798132 /nfs/dbraw/zinc/79/81/32/1121798132.db2.gz POEHMTIZTAIABC-KPFFTGBYSA-N 2 1 352.950 4.170 20 0 FIADMP C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000765792182 1121997797 /nfs/dbraw/zinc/99/77/97/1121997797.db2.gz PMATWTRQXKZETK-ARFHVFGLSA-N 2 1 360.498 4.068 20 0 FIADMP CC1(C)OCc2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc2O1 ZINC000186359442 1122053561 /nfs/dbraw/zinc/05/35/61/1122053561.db2.gz NRAAQVAAIRARHM-UHFFFAOYSA-N 2 1 366.505 4.086 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1C)[C@H](c1ccccc1)C2 ZINC000127405532 1122091380 /nfs/dbraw/zinc/09/13/80/1122091380.db2.gz RUPCPIMBRPPXMX-QHCPKHFHSA-N 2 1 361.489 4.390 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1C)[C@H](c1ccccc1)C2 ZINC000127405532 1122091393 /nfs/dbraw/zinc/09/13/93/1122091393.db2.gz RUPCPIMBRPPXMX-QHCPKHFHSA-N 2 1 361.489 4.390 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168616157 1122104283 /nfs/dbraw/zinc/10/42/83/1122104283.db2.gz LOCDVNJJSBKPGN-RQGSJKACSA-N 2 1 358.526 4.040 20 0 FIADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618094 1122150850 /nfs/dbraw/zinc/15/08/50/1122150850.db2.gz VVBLRHJCZZXXIS-QNWVGRARSA-N 2 1 372.553 4.160 20 0 FIADMP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618094 1122150856 /nfs/dbraw/zinc/15/08/56/1122150856.db2.gz VVBLRHJCZZXXIS-QNWVGRARSA-N 2 1 372.553 4.160 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(OC(F)F)c3)CC2)[nH+]1 ZINC000128137290 1122195904 /nfs/dbraw/zinc/19/59/04/1122195904.db2.gz PCLTWFPFLRXXHF-OAHLLOKOSA-N 2 1 361.436 4.311 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C2CCC2)o1 ZINC000542680637 1122272493 /nfs/dbraw/zinc/27/24/93/1122272493.db2.gz CZSNNGDBWXJHHX-GGAORHGYSA-N 2 1 368.521 4.176 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556059160 1122625027 /nfs/dbraw/zinc/62/50/27/1122625027.db2.gz UVYVUISSCYVMNF-BPAFIMBUSA-N 2 1 360.448 4.157 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556059160 1122625029 /nfs/dbraw/zinc/62/50/29/1122625029.db2.gz UVYVUISSCYVMNF-BPAFIMBUSA-N 2 1 360.448 4.157 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556060369 1122632154 /nfs/dbraw/zinc/63/21/54/1122632154.db2.gz FSNZSPYATFEQMA-BJKOFHAPSA-N 2 1 366.549 4.451 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000556060369 1122632157 /nfs/dbraw/zinc/63/21/57/1122632157.db2.gz FSNZSPYATFEQMA-BJKOFHAPSA-N 2 1 366.549 4.451 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094868 1122648263 /nfs/dbraw/zinc/64/82/63/1122648263.db2.gz ZGQPJHHNVKJTNG-ZEYPLWLESA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094868 1122648265 /nfs/dbraw/zinc/64/82/65/1122648265.db2.gz ZGQPJHHNVKJTNG-ZEYPLWLESA-N 2 1 360.505 4.358 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000556194981 1122726257 /nfs/dbraw/zinc/72/62/57/1122726257.db2.gz KKPWYXRRCUFTOH-AFXVXQJMSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000556194981 1122726260 /nfs/dbraw/zinc/72/62/60/1122726260.db2.gz KKPWYXRRCUFTOH-AFXVXQJMSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000556194983 1122726674 /nfs/dbraw/zinc/72/66/74/1122726674.db2.gz KKPWYXRRCUFTOH-LUKWVAJMSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000556194983 1122726677 /nfs/dbraw/zinc/72/66/77/1122726677.db2.gz KKPWYXRRCUFTOH-LUKWVAJMSA-N 2 1 350.506 4.332 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130397976 1122841151 /nfs/dbraw/zinc/84/11/51/1122841151.db2.gz UYEWWFNQRNOPHK-YXJHDRRASA-N 2 1 358.448 4.103 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130397976 1122841154 /nfs/dbraw/zinc/84/11/54/1122841154.db2.gz UYEWWFNQRNOPHK-YXJHDRRASA-N 2 1 358.448 4.103 20 0 FIADMP C[C@@H](CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470943712 1122905046 /nfs/dbraw/zinc/90/50/46/1122905046.db2.gz GTRUJDYHVHAALP-RYMFRWLXSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470943712 1122905052 /nfs/dbraw/zinc/90/50/52/1122905052.db2.gz GTRUJDYHVHAALP-RYMFRWLXSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470943712 1122905055 /nfs/dbraw/zinc/90/50/55/1122905055.db2.gz GTRUJDYHVHAALP-RYMFRWLXSA-N 2 1 360.386 4.310 20 0 FIADMP C[C@@H](CC[NH+]1CC[C@@H](C(F)(F)F)[C@H]1C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470943712 1122905058 /nfs/dbraw/zinc/90/50/58/1122905058.db2.gz GTRUJDYHVHAALP-RYMFRWLXSA-N 2 1 360.386 4.310 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]2CCC[C@@H]21 ZINC000556869704 1123150574 /nfs/dbraw/zinc/15/05/74/1123150574.db2.gz ANBHXMBKESMCKQ-FUDKSRODSA-N 2 1 374.532 4.047 20 0 FIADMP CC(C)CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000556889923 1123177337 /nfs/dbraw/zinc/17/73/37/1123177337.db2.gz KVFYDOCECGMMFE-FCHUYYIVSA-N 2 1 356.510 4.113 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@H]1c1ccccc1 ZINC000515075760 1123207461 /nfs/dbraw/zinc/20/74/61/1123207461.db2.gz JVYBVUGBJKIVKF-ICSRJNTNSA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@H]1c1ccccc1 ZINC000515075760 1123207463 /nfs/dbraw/zinc/20/74/63/1123207463.db2.gz JVYBVUGBJKIVKF-ICSRJNTNSA-N 2 1 360.448 4.256 20 0 FIADMP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000133503349 1123493649 /nfs/dbraw/zinc/49/36/49/1123493649.db2.gz KGQPYIPVRQCFKR-HNNXBMFYSA-N 2 1 361.555 4.232 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000236667605 1123547300 /nfs/dbraw/zinc/54/73/00/1123547300.db2.gz XPLJNXGUMCYLCQ-UHFFFAOYSA-N 2 1 365.565 4.281 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000236667605 1123547304 /nfs/dbraw/zinc/54/73/04/1123547304.db2.gz XPLJNXGUMCYLCQ-UHFFFAOYSA-N 3 1 365.565 4.281 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000236667605 1123547309 /nfs/dbraw/zinc/54/73/09/1123547309.db2.gz XPLJNXGUMCYLCQ-UHFFFAOYSA-N 3 1 365.565 4.281 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000236667605 1123547314 /nfs/dbraw/zinc/54/73/14/1123547314.db2.gz XPLJNXGUMCYLCQ-UHFFFAOYSA-N 2 1 365.565 4.281 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000236667605 1123547318 /nfs/dbraw/zinc/54/73/18/1123547318.db2.gz XPLJNXGUMCYLCQ-UHFFFAOYSA-N 2 1 365.565 4.281 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000237588465 1123642896 /nfs/dbraw/zinc/64/28/96/1123642896.db2.gz WFLGLQSRSXFKHI-QGZVFWFLSA-N 2 1 365.525 4.101 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134946080 1123698436 /nfs/dbraw/zinc/69/84/36/1123698436.db2.gz XFDGMJFNGQYZQR-GCJKJVERSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134946080 1123698442 /nfs/dbraw/zinc/69/84/42/1123698442.db2.gz XFDGMJFNGQYZQR-GCJKJVERSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134946080 1123698447 /nfs/dbraw/zinc/69/84/47/1123698447.db2.gz XFDGMJFNGQYZQR-GCJKJVERSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134946080 1123698457 /nfs/dbraw/zinc/69/84/57/1123698457.db2.gz XFDGMJFNGQYZQR-GCJKJVERSA-N 2 1 363.505 4.323 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC(=O)Nc2c(C)cccc2C)CC1 ZINC000137400076 1123971137 /nfs/dbraw/zinc/97/11/37/1123971137.db2.gz KPINRDLBZRLASI-UHFFFAOYSA-N 2 1 373.585 4.466 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)Nc1ccccc1 ZINC000615314852 1123988658 /nfs/dbraw/zinc/98/86/58/1123988658.db2.gz JAUCWYQIEPJIPO-RBUKOAKNSA-N 2 1 365.521 4.178 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179501665 1123990229 /nfs/dbraw/zinc/99/02/29/1123990229.db2.gz ZMDIMWVCJFAEMT-RBZFPXEDSA-N 2 1 373.859 4.357 20 0 FIADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000615456395 1124014684 /nfs/dbraw/zinc/01/46/84/1124014684.db2.gz HZMNKIHGHBFRNF-AWEZNQCLSA-N 2 1 357.325 4.099 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677440 1124186674 /nfs/dbraw/zinc/18/66/74/1124186674.db2.gz IGNLUJIJNRJWKI-XXTHSBEZSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677440 1124186681 /nfs/dbraw/zinc/18/66/81/1124186681.db2.gz IGNLUJIJNRJWKI-XXTHSBEZSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677440 1124186692 /nfs/dbraw/zinc/18/66/92/1124186692.db2.gz IGNLUJIJNRJWKI-XXTHSBEZSA-N 2 1 355.570 4.036 20 0 FIADMP CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000245701844 1124210081 /nfs/dbraw/zinc/21/00/81/1124210081.db2.gz LTTQEEFKZGSJQS-KAOXLYBCSA-N 2 1 368.496 4.298 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245750753 1124239776 /nfs/dbraw/zinc/23/97/76/1124239776.db2.gz TZHHCWDQVWYPKN-XGAJZPNHSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245750753 1124239779 /nfs/dbraw/zinc/23/97/79/1124239779.db2.gz TZHHCWDQVWYPKN-XGAJZPNHSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245750753 1124239781 /nfs/dbraw/zinc/23/97/81/1124239781.db2.gz TZHHCWDQVWYPKN-XGAJZPNHSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750753 1124239787 /nfs/dbraw/zinc/23/97/87/1124239787.db2.gz TZHHCWDQVWYPKN-XGAJZPNHSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750753 1124239792 /nfs/dbraw/zinc/23/97/92/1124239792.db2.gz TZHHCWDQVWYPKN-XGAJZPNHSA-N 2 1 369.597 4.284 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245753250 1124240472 /nfs/dbraw/zinc/24/04/72/1124240472.db2.gz ULAHLFFQOBOXCJ-LDLYASANSA-N 2 1 353.510 4.085 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245753250 1124240477 /nfs/dbraw/zinc/24/04/77/1124240477.db2.gz ULAHLFFQOBOXCJ-LDLYASANSA-N 2 1 353.510 4.085 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245897517 1124274708 /nfs/dbraw/zinc/27/47/08/1124274708.db2.gz NIGWYJGIBFRGRO-YPAWHYETSA-N 2 1 368.521 4.205 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000245925776 1124286115 /nfs/dbraw/zinc/28/61/15/1124286115.db2.gz SLAXXOGLLONPIA-NOOVBMIQSA-N 2 1 351.494 4.179 20 0 FIADMP c1[nH+]c2cc(N[C@@H]3CCCc4cccnc43)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168655177 1124422658 /nfs/dbraw/zinc/42/26/58/1124422658.db2.gz LJLNLNZSOWNAAZ-RTBURBONSA-N 2 1 361.493 4.235 20 0 FIADMP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542841022 1124438991 /nfs/dbraw/zinc/43/89/91/1124438991.db2.gz XXQJWPDCJMJHOI-LJQANCHMSA-N 2 1 370.459 4.126 20 0 FIADMP CCCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000542846109 1124443113 /nfs/dbraw/zinc/44/31/13/1124443113.db2.gz JWAVGAPXJVDRGJ-DHIUTWEWSA-N 2 1 352.522 4.274 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847235 1124446871 /nfs/dbraw/zinc/44/68/71/1124446871.db2.gz OTESYAQCXDTKQM-BSRJHKFKSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847235 1124446876 /nfs/dbraw/zinc/44/68/76/1124446876.db2.gz OTESYAQCXDTKQM-BSRJHKFKSA-N 2 1 365.521 4.206 20 0 FIADMP CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000542846873 1124447201 /nfs/dbraw/zinc/44/72/01/1124447201.db2.gz OBFFACOVUNWAMK-NTKDMRAZSA-N 2 1 366.549 4.303 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nnn1-c1ccc(F)cc1 ZINC000246923309 1124574743 /nfs/dbraw/zinc/57/47/43/1124574743.db2.gz GUXGGSVBTACXTD-IAGOWNOFSA-N 2 1 373.520 4.020 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000247010071 1124581211 /nfs/dbraw/zinc/58/12/11/1124581211.db2.gz LCXFYMDEHNJAKJ-HKUYNNGSSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000247010071 1124581217 /nfs/dbraw/zinc/58/12/17/1124581217.db2.gz LCXFYMDEHNJAKJ-HKUYNNGSSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)ccn2)cc1 ZINC000247207978 1124598962 /nfs/dbraw/zinc/59/89/62/1124598962.db2.gz WTXSMVXPNVYEBO-LAUBAEHRSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)ccn2)cc1 ZINC000247207978 1124598969 /nfs/dbraw/zinc/59/89/69/1124598969.db2.gz WTXSMVXPNVYEBO-LAUBAEHRSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)ccn2)cc1 ZINC000247207989 1124599361 /nfs/dbraw/zinc/59/93/61/1124599361.db2.gz WTXSMVXPNVYEBO-UWJYYQICSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)ccn2)cc1 ZINC000247207989 1124599366 /nfs/dbraw/zinc/59/93/66/1124599366.db2.gz WTXSMVXPNVYEBO-UWJYYQICSA-N 2 1 369.509 4.093 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000247234207 1124604411 /nfs/dbraw/zinc/60/44/11/1124604411.db2.gz YMSLOHIVUGIMOA-PBHICJAKSA-N 2 1 359.514 4.258 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152686 1124747963 /nfs/dbraw/zinc/74/79/63/1124747963.db2.gz QXOKNLLGGJDSOO-YYFZDKIDSA-N 2 1 358.507 4.211 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152686 1124747970 /nfs/dbraw/zinc/74/79/70/1124747970.db2.gz QXOKNLLGGJDSOO-YYFZDKIDSA-N 2 1 358.507 4.211 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000248395277 1124760667 /nfs/dbraw/zinc/76/06/67/1124760667.db2.gz GEMFAJHZLWHZTL-BJLQDIEVSA-N 3 1 352.526 4.176 20 0 FIADMP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248438888 1124769369 /nfs/dbraw/zinc/76/93/69/1124769369.db2.gz ICXIYWTURDPWRT-FPOVZHCZSA-N 2 1 368.521 4.040 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248439345 1124769624 /nfs/dbraw/zinc/76/96/24/1124769624.db2.gz INDRUXXDXQPIQO-NHCUHLMSSA-N 2 1 358.913 4.148 20 0 FIADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248461888 1124774265 /nfs/dbraw/zinc/77/42/65/1124774265.db2.gz XWJDFUIIRJCDRA-XXBNENTESA-N 2 1 352.522 4.111 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2SC)[C@@H](C)C1 ZINC000249529759 1124863797 /nfs/dbraw/zinc/86/37/97/1124863797.db2.gz JHNXEAUJWMDTQM-LNLFQRSKSA-N 2 1 350.572 4.196 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2SC)[C@@H](C)C1 ZINC000249529761 1124863847 /nfs/dbraw/zinc/86/38/47/1124863847.db2.gz JHNXEAUJWMDTQM-SCTDSRPQSA-N 2 1 350.572 4.196 20 0 FIADMP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089594362 1124916077 /nfs/dbraw/zinc/91/60/77/1124916077.db2.gz HGOIUNJCQHIJJD-VXKWHMMOSA-N 2 1 356.554 4.023 20 0 FIADMP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000089695980 1124928238 /nfs/dbraw/zinc/92/82/38/1124928238.db2.gz MRZYOKLTNGDNGM-DIFFPNOSSA-N 2 1 369.734 4.164 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090524216 1125001296 /nfs/dbraw/zinc/00/12/96/1125001296.db2.gz JXFBYJMUEAABCV-DBVUQKKJSA-N 2 1 356.510 4.160 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)Nc1ccccc1 ZINC000615314850 1125237608 /nfs/dbraw/zinc/23/76/08/1125237608.db2.gz JAUCWYQIEPJIPO-MOPGFXCFSA-N 2 1 365.521 4.178 20 0 FIADMP CC(C[NH+]1CCC=C(c2ccco2)C1)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511137589 370687052 /nfs/dbraw/zinc/68/70/52/370687052.db2.gz CECWTFAIVRXCJD-UHFFFAOYSA-N 2 1 352.478 4.387 20 0 FIADMP CC(C[NH+]1CCC=C(c2ccco2)C1)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000511137589 370687061 /nfs/dbraw/zinc/68/70/61/370687061.db2.gz CECWTFAIVRXCJD-UHFFFAOYSA-N 2 1 352.478 4.387 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000603937851 568184321 /nfs/dbraw/zinc/18/43/21/568184321.db2.gz IXVXELFZWREWBN-UHFFFAOYSA-N 2 1 352.526 4.088 20 0 FIADMP c1cc2cc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)ccc2[nH]1 ZINC000563121646 568222644 /nfs/dbraw/zinc/22/26/44/568222644.db2.gz ADBKZOKJAPOGPV-JOCHJYFZSA-N 2 1 359.517 4.497 20 0 FIADMP c1cc2cc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)ccc2[nH]1 ZINC000563121646 568222645 /nfs/dbraw/zinc/22/26/45/568222645.db2.gz ADBKZOKJAPOGPV-JOCHJYFZSA-N 2 1 359.517 4.497 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000604418258 568276296 /nfs/dbraw/zinc/27/62/96/568276296.db2.gz NZWMTEKFNOFWCZ-KNQAVFIVSA-N 2 1 370.537 4.482 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000604418258 568276297 /nfs/dbraw/zinc/27/62/97/568276297.db2.gz NZWMTEKFNOFWCZ-KNQAVFIVSA-N 2 1 370.537 4.482 20 0 FIADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C)c(C)[nH+]2)CC3)cs1 ZINC001164693838 719807480 /nfs/dbraw/zinc/80/74/80/719807480.db2.gz RMTLENSGMDIUME-UHFFFAOYSA-N 2 1 356.539 4.098 20 0 FIADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164793019 721496438 /nfs/dbraw/zinc/49/64/38/721496438.db2.gz ZHGHKWGKUOMHAC-UHFFFAOYSA-N 2 1 362.521 4.235 20 0 FIADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164793019 721496441 /nfs/dbraw/zinc/49/64/41/721496441.db2.gz ZHGHKWGKUOMHAC-UHFFFAOYSA-N 2 1 362.521 4.235 20 0 FIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC001165033364 721862005 /nfs/dbraw/zinc/86/20/05/721862005.db2.gz LBHSWMKRMCXELE-OAQYLSRUSA-N 2 1 356.558 4.083 20 0 FIADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644120 1125471143 /nfs/dbraw/zinc/47/11/43/1125471143.db2.gz HWXPMZNUASFROC-FXAWDEMLSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644120 1125471146 /nfs/dbraw/zinc/47/11/46/1125471146.db2.gz HWXPMZNUASFROC-FXAWDEMLSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644120 1125471150 /nfs/dbraw/zinc/47/11/50/1125471150.db2.gz HWXPMZNUASFROC-FXAWDEMLSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644120 1125471154 /nfs/dbraw/zinc/47/11/54/1125471154.db2.gz HWXPMZNUASFROC-FXAWDEMLSA-N 2 1 368.521 4.285 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643912 1125471191 /nfs/dbraw/zinc/47/11/91/1125471191.db2.gz PIOWPXBIPWSJRH-KNQAVFIVSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643912 1125471198 /nfs/dbraw/zinc/47/11/98/1125471198.db2.gz PIOWPXBIPWSJRH-KNQAVFIVSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643912 1125471204 /nfs/dbraw/zinc/47/12/04/1125471204.db2.gz PIOWPXBIPWSJRH-KNQAVFIVSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000093643912 1125471210 /nfs/dbraw/zinc/47/12/10/1125471210.db2.gz PIOWPXBIPWSJRH-KNQAVFIVSA-N 2 1 367.537 4.192 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000765972599 1125517338 /nfs/dbraw/zinc/51/73/38/1125517338.db2.gz BJFSQSNEBIWUAN-ACJLOTCBSA-N 2 1 357.325 4.287 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000619761476 1125685008 /nfs/dbraw/zinc/68/50/08/1125685008.db2.gz NRSSUUIJKPXNHA-VQTJNVASSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000619761476 1125685010 /nfs/dbraw/zinc/68/50/10/1125685010.db2.gz NRSSUUIJKPXNHA-VQTJNVASSA-N 2 1 354.469 4.121 20 0 FIADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000620119385 1125783190 /nfs/dbraw/zinc/78/31/90/1125783190.db2.gz PADFUYYUBZHWME-LJQANCHMSA-N 2 1 352.522 4.150 20 0 FIADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000620119385 1125783197 /nfs/dbraw/zinc/78/31/97/1125783197.db2.gz PADFUYYUBZHWME-LJQANCHMSA-N 2 1 352.522 4.150 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000154546368 1080239003 /nfs/dbraw/zinc/23/90/03/1080239003.db2.gz WPIHOFNXQIYVLH-UHFFFAOYSA-N 2 1 373.888 4.196 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000154546368 1080239014 /nfs/dbraw/zinc/23/90/14/1080239014.db2.gz WPIHOFNXQIYVLH-UHFFFAOYSA-N 2 1 373.888 4.196 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(F)cc(Cl)c3)CC2)oc1C ZINC000275032967 1080392473 /nfs/dbraw/zinc/39/24/73/1080392473.db2.gz WKICVQAVUQEWMX-UHFFFAOYSA-N 2 1 365.880 4.086 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000180155547 1080461893 /nfs/dbraw/zinc/46/18/93/1080461893.db2.gz QILACMZSFWFCNW-UZLBHIALSA-N 2 1 360.448 4.309 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000180155547 1080461901 /nfs/dbraw/zinc/46/19/01/1080461901.db2.gz QILACMZSFWFCNW-UZLBHIALSA-N 2 1 360.448 4.309 20 0 FIADMP CC(C)[C@@H](CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001648791880 1080495350 /nfs/dbraw/zinc/49/53/50/1080495350.db2.gz CQSHYYJQVCOPJW-ACIOBRDBSA-N 2 1 357.586 4.168 20 0 FIADMP CN(C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCCCO1 ZINC001167137554 1080676770 /nfs/dbraw/zinc/67/67/70/1080676770.db2.gz AMWNCJCNPFFPEC-DNQXCXABSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137554 1080676776 /nfs/dbraw/zinc/67/67/76/1080676776.db2.gz AMWNCJCNPFFPEC-DNQXCXABSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137554 1080676779 /nfs/dbraw/zinc/67/67/79/1080676779.db2.gz AMWNCJCNPFFPEC-DNQXCXABSA-N 2 1 366.549 4.403 20 0 FIADMP C[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCCCO1 ZINC001167137554 1080676782 /nfs/dbraw/zinc/67/67/82/1080676782.db2.gz AMWNCJCNPFFPEC-DNQXCXABSA-N 2 1 366.549 4.403 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000155230129 1080728441 /nfs/dbraw/zinc/72/84/41/1080728441.db2.gz ITDHLLLSSCMUEZ-BJKOFHAPSA-N 2 1 364.533 4.203 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000236864155 1080908263 /nfs/dbraw/zinc/90/82/63/1080908263.db2.gz PKDQKYUZXJKDRC-KSSFIOAISA-N 2 1 359.341 4.220 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000236864155 1080908265 /nfs/dbraw/zinc/90/82/65/1080908265.db2.gz PKDQKYUZXJKDRC-KSSFIOAISA-N 2 1 359.341 4.220 20 0 FIADMP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000312519856 1080965315 /nfs/dbraw/zinc/96/53/15/1080965315.db2.gz OIRGYUJSQYDGPM-WIYYLYMNSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000655705176 1081125758 /nfs/dbraw/zinc/12/57/58/1081125758.db2.gz YIKWJUZFMPQBLT-GDBMZVCRSA-N 2 1 371.352 4.330 20 0 FIADMP C[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655717882 1081137062 /nfs/dbraw/zinc/13/70/62/1081137062.db2.gz FKRRWTIMIZJRGO-DNVCBOLYSA-N 2 1 370.459 4.042 20 0 FIADMP c1ccc(-c2ccc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC000655732741 1081151368 /nfs/dbraw/zinc/15/13/68/1081151368.db2.gz FOSLYAPQVLQNIM-XMMPIXPASA-N 2 1 364.533 4.129 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1-c1ccccc1 ZINC000655755545 1081175953 /nfs/dbraw/zinc/17/59/53/1081175953.db2.gz DVWTVOYDIZIZDE-QHCPKHFHSA-N 2 1 364.533 4.395 20 0 FIADMP FC(F)(F)Oc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000655821175 1081231898 /nfs/dbraw/zinc/23/18/98/1081231898.db2.gz SUGPDVKLRHZQHR-UHFFFAOYSA-N 2 1 368.443 4.223 20 0 FIADMP FC(F)(F)Oc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000655820808 1081232107 /nfs/dbraw/zinc/23/21/07/1081232107.db2.gz LYBTVNYICCQRNX-SJORKVTESA-N 2 1 368.443 4.223 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC001648816583 1081237368 /nfs/dbraw/zinc/23/73/68/1081237368.db2.gz APADOGLXEPPCHM-IBGZPJMESA-N 2 1 353.510 4.476 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC001648817036 1081239551 /nfs/dbraw/zinc/23/95/51/1081239551.db2.gz RMDLWOMVWFEBDL-QGZVFWFLSA-N 2 1 358.505 4.064 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000655850004 1081259439 /nfs/dbraw/zinc/25/94/39/1081259439.db2.gz AYPLYTVRUJWKQM-UXPWSPDFSA-N 2 1 358.526 4.152 20 0 FIADMP C[NH+](C)CCOc1ccc(CNc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC001648857133 1081311646 /nfs/dbraw/zinc/31/16/46/1081311646.db2.gz NQCZNWSBWZIJIC-UHFFFAOYSA-N 2 1 353.510 4.229 20 0 FIADMP CC1(C)CC([NH2+][C@H]2CCc3sc(Br)cc32)CC(C)(C)[NH2+]1 ZINC000312699906 1081593934 /nfs/dbraw/zinc/59/39/34/1081593934.db2.gz PCFFHWXDUKLSHH-LBPRGKRZSA-N 2 1 357.361 4.397 20 0 FIADMP CCC[N@H+](Cc1c(F)cccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000548066386 1081730754 /nfs/dbraw/zinc/73/07/54/1081730754.db2.gz HFLPNNBIZNXJEO-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@@H+](Cc1c(F)cccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000548066386 1081730760 /nfs/dbraw/zinc/73/07/60/1081730760.db2.gz HFLPNNBIZNXJEO-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312782665 1081841715 /nfs/dbraw/zinc/84/17/15/1081841715.db2.gz ASJLKICJBLSYOD-NQIIRXRSSA-N 2 1 368.521 4.094 20 0 FIADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483654 1081970856 /nfs/dbraw/zinc/97/08/56/1081970856.db2.gz OPBCYJSMHOUWQX-TZIWHRDSSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483654 1081970858 /nfs/dbraw/zinc/97/08/58/1081970858.db2.gz OPBCYJSMHOUWQX-TZIWHRDSSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483654 1081970861 /nfs/dbraw/zinc/97/08/61/1081970861.db2.gz OPBCYJSMHOUWQX-TZIWHRDSSA-N 2 1 351.494 4.098 20 0 FIADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483439 1081970962 /nfs/dbraw/zinc/97/09/62/1081970962.db2.gz FERVUFQXSBLOQC-RXVVDRJESA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483439 1081970963 /nfs/dbraw/zinc/97/09/63/1081970963.db2.gz FERVUFQXSBLOQC-RXVVDRJESA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483439 1081970964 /nfs/dbraw/zinc/97/09/64/1081970964.db2.gz FERVUFQXSBLOQC-RXVVDRJESA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483439 1081970967 /nfs/dbraw/zinc/97/09/67/1081970967.db2.gz FERVUFQXSBLOQC-RXVVDRJESA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483437 1081971018 /nfs/dbraw/zinc/97/10/18/1081971018.db2.gz FERVUFQXSBLOQC-GHTZIAJQSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483437 1081971020 /nfs/dbraw/zinc/97/10/20/1081971020.db2.gz FERVUFQXSBLOQC-GHTZIAJQSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483437 1081971022 /nfs/dbraw/zinc/97/10/22/1081971022.db2.gz FERVUFQXSBLOQC-GHTZIAJQSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000580483437 1081971024 /nfs/dbraw/zinc/97/10/24/1081971024.db2.gz FERVUFQXSBLOQC-GHTZIAJQSA-N 2 1 368.521 4.046 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000580487373 1081972770 /nfs/dbraw/zinc/97/27/70/1081972770.db2.gz TWSJGFGTWABFFY-KBMXLJTQSA-N 2 1 356.963 4.115 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000580487373 1081972771 /nfs/dbraw/zinc/97/27/71/1081972771.db2.gz TWSJGFGTWABFFY-KBMXLJTQSA-N 2 1 356.963 4.115 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000312889948 1081993538 /nfs/dbraw/zinc/99/35/38/1081993538.db2.gz HZIJYRRZICEWCR-VXKWHMMOSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000312889948 1081993539 /nfs/dbraw/zinc/99/35/39/1081993539.db2.gz HZIJYRRZICEWCR-VXKWHMMOSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000312889948 1081993542 /nfs/dbraw/zinc/99/35/42/1081993542.db2.gz HZIJYRRZICEWCR-VXKWHMMOSA-N 2 1 357.501 4.189 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000581206927 1082370993 /nfs/dbraw/zinc/37/09/93/1082370993.db2.gz NRPIUBKEEIRBCV-ACIOBRDBSA-N 2 1 366.553 4.244 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000581206927 1082370996 /nfs/dbraw/zinc/37/09/96/1082370996.db2.gz NRPIUBKEEIRBCV-ACIOBRDBSA-N 2 1 366.553 4.244 20 0 FIADMP COc1cncc(/C=C/CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000581307755 1082447983 /nfs/dbraw/zinc/44/79/83/1082447983.db2.gz CYXQOWCRWBICLU-UKINESCASA-N 2 1 362.477 4.338 20 0 FIADMP FC(F)(F)[C@@H]1CC([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C(F)(F)F)C1 ZINC000656472382 1082455398 /nfs/dbraw/zinc/45/53/98/1082455398.db2.gz DRLJOPOHKOBQHX-QWRGUYRKSA-N 2 1 358.370 4.112 20 0 FIADMP CC[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000581461495 1082589046 /nfs/dbraw/zinc/58/90/46/1082589046.db2.gz RXUVGWQUINEANJ-FQEVSTJZSA-N 2 1 364.493 4.381 20 0 FIADMP CC[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000581461495 1082589048 /nfs/dbraw/zinc/58/90/48/1082589048.db2.gz RXUVGWQUINEANJ-FQEVSTJZSA-N 2 1 364.493 4.381 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)c2cccc(Br)c2)CC1 ZINC000510434806 1082702092 /nfs/dbraw/zinc/70/20/92/1082702092.db2.gz GWBVXVIDUOJPEA-HNNXBMFYSA-N 2 1 353.348 4.359 20 0 FIADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656785102 1082769904 /nfs/dbraw/zinc/76/99/04/1082769904.db2.gz IKGDDYIPFQWUAX-GOSISDBHSA-N 2 1 371.550 4.030 20 0 FIADMP CC(C)Cn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000647171567 1082778053 /nfs/dbraw/zinc/77/80/53/1082778053.db2.gz OCNOYKQUVJPQIU-IBGZPJMESA-N 2 1 354.542 4.203 20 0 FIADMP CC(C)Cn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000647171567 1082778056 /nfs/dbraw/zinc/77/80/56/1082778056.db2.gz OCNOYKQUVJPQIU-IBGZPJMESA-N 2 1 354.542 4.203 20 0 FIADMP COC[C@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(Cl)c1 ZINC000581695837 1082818442 /nfs/dbraw/zinc/81/84/42/1082818442.db2.gz GNSOVZMIOGKGTD-FQEVSTJZSA-N 2 1 355.869 4.062 20 0 FIADMP COc1cc(F)c(F)cc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001143400187 1082948374 /nfs/dbraw/zinc/94/83/74/1082948374.db2.gz RCBPUNLUJHYRPC-UHFFFAOYSA-N 2 1 374.475 4.317 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430758103 1083146607 /nfs/dbraw/zinc/14/66/07/1083146607.db2.gz YZBXQAQJWXFOCM-RHRATHSCSA-N 2 1 369.322 4.153 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3CCCF)CC2)cs1 ZINC000510720820 1083261373 /nfs/dbraw/zinc/26/13/73/1083261373.db2.gz LWQVRFZPSNLQRK-PKOBYXMFSA-N 2 1 367.578 4.426 20 0 FIADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)C1(C)C ZINC001167493447 1083269326 /nfs/dbraw/zinc/26/93/26/1083269326.db2.gz YUYHXTVSDICIIE-ISKFKSNPSA-N 2 1 372.597 4.467 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C/C(C)=C\c2ccccc2COC)c1 ZINC000510871669 1083349651 /nfs/dbraw/zinc/34/96/51/1083349651.db2.gz IUTQTEQYAKDLJH-UYRXBGFRSA-N 2 1 352.522 4.478 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000101726829 1083378512 /nfs/dbraw/zinc/37/85/12/1083378512.db2.gz KNOJECYIVDYQSJ-KRWDZBQOSA-N 2 1 356.514 4.242 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658319911 1083405895 /nfs/dbraw/zinc/40/58/95/1083405895.db2.gz JSEDNDRBDVPYFL-FCHUYYIVSA-N 2 1 356.554 4.084 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)C[C@H]2C1 ZINC000658318867 1083406401 /nfs/dbraw/zinc/40/64/01/1083406401.db2.gz TVRUZLWZWVEGDR-MFKCLSPESA-N 2 1 368.565 4.082 20 0 FIADMP C[C@@H]([NH2+]CCc1nsc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658318608 1083406757 /nfs/dbraw/zinc/40/67/57/1083406757.db2.gz QQQXTHFNBGCCGN-IEBWSBKVSA-N 2 1 365.546 4.339 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)C[C@H]2C1 ZINC000658318864 1083406771 /nfs/dbraw/zinc/40/67/71/1083406771.db2.gz TVRUZLWZWVEGDR-JFDBCFPISA-N 2 1 368.565 4.082 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)[C@@H]1c1cccs1 ZINC000421832405 1083433593 /nfs/dbraw/zinc/43/35/93/1083433593.db2.gz MLYZTLQCCDOXLW-DBXWQHBBSA-N 2 1 355.551 4.063 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)[C@@H]1c1cccs1 ZINC000421832405 1083433598 /nfs/dbraw/zinc/43/35/98/1083433598.db2.gz MLYZTLQCCDOXLW-DBXWQHBBSA-N 2 1 355.551 4.063 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)[C@@H]1c1cccs1 ZINC000421832408 1083433644 /nfs/dbraw/zinc/43/36/44/1083433644.db2.gz MLYZTLQCCDOXLW-LVCYWYKZSA-N 2 1 355.551 4.063 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)[C@@H]1c1cccs1 ZINC000421832408 1083433650 /nfs/dbraw/zinc/43/36/50/1083433650.db2.gz MLYZTLQCCDOXLW-LVCYWYKZSA-N 2 1 355.551 4.063 20 0 FIADMP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000548483605 1083466168 /nfs/dbraw/zinc/46/61/68/1083466168.db2.gz VLXBSXCSTKXHLL-YLJYHZDGSA-N 2 1 356.485 4.225 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000548485805 1083480284 /nfs/dbraw/zinc/48/02/84/1083480284.db2.gz KEMFEWITUYQIQJ-KPLVRAHFSA-N 2 1 366.505 4.019 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000548485805 1083480290 /nfs/dbraw/zinc/48/02/90/1083480290.db2.gz KEMFEWITUYQIQJ-KPLVRAHFSA-N 2 1 366.505 4.019 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000510935784 1083510902 /nfs/dbraw/zinc/51/09/02/1083510902.db2.gz TUZYXQGVVUGZBY-QWHCGFSZSA-N 2 1 356.297 4.334 20 0 FIADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510952623 1083529266 /nfs/dbraw/zinc/52/92/66/1083529266.db2.gz RXRCXPFDJBRLLG-OAQYLSRUSA-N 2 1 357.586 4.140 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000510952623 1083529272 /nfs/dbraw/zinc/52/92/72/1083529272.db2.gz RXRCXPFDJBRLLG-OAQYLSRUSA-N 2 1 357.586 4.140 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000510957411 1083536344 /nfs/dbraw/zinc/53/63/44/1083536344.db2.gz GHVKUQNJIBVSPC-HXUWFJFHSA-N 2 1 354.885 4.204 20 0 FIADMP CC[NH+](CC)CCCC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000548490589 1083546057 /nfs/dbraw/zinc/54/60/57/1083546057.db2.gz ZCLKIKAATYQMCG-UHFFFAOYSA-N 2 1 354.336 4.183 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000510979876 1083554684 /nfs/dbraw/zinc/55/46/84/1083554684.db2.gz FSHYRVLFJBIYCQ-FRVUEHSBSA-N 2 1 364.961 4.313 20 0 FIADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180959858 1083703215 /nfs/dbraw/zinc/70/32/15/1083703215.db2.gz ZJNAILZQVDDGKQ-PKTZIBPZSA-N 2 1 364.533 4.134 20 0 FIADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OCc1ccccc1 ZINC000647485444 1083910444 /nfs/dbraw/zinc/91/04/44/1083910444.db2.gz ZNNHZZMMWRRCFL-NRFANRHFSA-N 2 1 368.521 4.096 20 0 FIADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OCc1ccccc1 ZINC000647485444 1083910445 /nfs/dbraw/zinc/91/04/45/1083910445.db2.gz ZNNHZZMMWRRCFL-NRFANRHFSA-N 2 1 368.521 4.096 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)CC1(C)C ZINC001648924662 1083933691 /nfs/dbraw/zinc/93/36/91/1083933691.db2.gz MAVIIYYKFCHCBL-SFHVURJKSA-N 2 1 358.526 4.080 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000472069693 1084237042 /nfs/dbraw/zinc/23/70/42/1084237042.db2.gz LSIVTVAUUVOBEQ-IRXDYDNUSA-N 2 1 356.485 4.299 20 0 FIADMP CCn1nc(CNCc2ccccc2C[N@@H+](C)C(C)C)c2ccccc21 ZINC000472072172 1084238858 /nfs/dbraw/zinc/23/88/58/1084238858.db2.gz CZTRTCPJPAUWPM-UHFFFAOYSA-N 2 1 350.510 4.186 20 0 FIADMP CCn1nc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c2ccccc21 ZINC000472072172 1084238869 /nfs/dbraw/zinc/23/88/69/1084238869.db2.gz CZTRTCPJPAUWPM-UHFFFAOYSA-N 2 1 350.510 4.186 20 0 FIADMP CCn1nc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c2ccccc21 ZINC000472072172 1084238881 /nfs/dbraw/zinc/23/88/81/1084238881.db2.gz CZTRTCPJPAUWPM-UHFFFAOYSA-N 2 1 350.510 4.186 20 0 FIADMP Fc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1OC(F)F ZINC000657299984 1084316157 /nfs/dbraw/zinc/31/61/57/1084316157.db2.gz FDKYMLCXTSBDAH-UHFFFAOYSA-N 2 1 364.411 4.313 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657312681 1084449294 /nfs/dbraw/zinc/44/92/94/1084449294.db2.gz DFZJVGJOSPVOIH-UHFFFAOYSA-N 2 1 351.519 4.359 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657312360 1084450859 /nfs/dbraw/zinc/45/08/59/1084450859.db2.gz HBRXYEWABQFBHC-RTBURBONSA-N 2 1 366.553 4.061 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414079123 1084467054 /nfs/dbraw/zinc/46/70/54/1084467054.db2.gz RLXUOPRVPPSSHU-GOSISDBHSA-N 2 1 352.526 4.056 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000472162233 1084615909 /nfs/dbraw/zinc/61/59/09/1084615909.db2.gz YALAUSPPEDBVHS-UHFFFAOYSA-N 2 1 358.848 4.393 20 0 FIADMP CC(C)c1[nH+]c(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2ccccn21 ZINC000563257066 1084683725 /nfs/dbraw/zinc/68/37/25/1084683725.db2.gz GYHYKKZSHHZUMT-ROUUACIJSA-N 2 1 354.542 4.200 20 0 FIADMP CC(C)c1[nH+]c(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c2ccccn21 ZINC000563257066 1084683732 /nfs/dbraw/zinc/68/37/32/1084683732.db2.gz GYHYKKZSHHZUMT-ROUUACIJSA-N 2 1 354.542 4.200 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141543 1084697200 /nfs/dbraw/zinc/69/72/00/1084697200.db2.gz QXTUKTBSKSVRKX-GIWBLDEGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141543 1084697201 /nfs/dbraw/zinc/69/72/01/1084697201.db2.gz QXTUKTBSKSVRKX-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141543 1084697205 /nfs/dbraw/zinc/69/72/05/1084697205.db2.gz QXTUKTBSKSVRKX-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141543 1084697212 /nfs/dbraw/zinc/69/72/12/1084697212.db2.gz QXTUKTBSKSVRKX-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000582141543 1084697213 /nfs/dbraw/zinc/69/72/13/1084697213.db2.gz QXTUKTBSKSVRKX-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414181547 1084752463 /nfs/dbraw/zinc/75/24/63/1084752463.db2.gz MMPTYFPHZBNBLK-VQIMIIECSA-N 2 1 357.567 4.425 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000414184553 1084761792 /nfs/dbraw/zinc/76/17/92/1084761792.db2.gz NZDMNHRDGNXDMQ-UTKZUKDTSA-N 2 1 357.929 4.340 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511097724 1084845525 /nfs/dbraw/zinc/84/55/25/1084845525.db2.gz WOCBMNNOEMEBTR-UHFFFAOYSA-N 2 1 354.523 4.245 20 0 FIADMP CC1(C)CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559891162 1084907401 /nfs/dbraw/zinc/90/74/01/1084907401.db2.gz SZODSNZOIKUYCN-LEWJYISDSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318340 1084928393 /nfs/dbraw/zinc/92/83/93/1084928393.db2.gz FURRLHNUUQGLKB-ZEYPLWLESA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318340 1084928395 /nfs/dbraw/zinc/92/83/95/1084928395.db2.gz FURRLHNUUQGLKB-ZEYPLWLESA-N 2 1 360.505 4.358 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1C(F)(F)F ZINC000582414742 1084978134 /nfs/dbraw/zinc/97/81/34/1084978134.db2.gz FDKCZNDNELPPMU-GFCCVEGCSA-N 2 1 353.388 4.011 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(Br)cs1 ZINC000582453507 1085025330 /nfs/dbraw/zinc/02/53/30/1085025330.db2.gz NSKGNUXBUFBGJO-UHFFFAOYSA-N 2 1 356.333 4.182 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000582453507 1085025334 /nfs/dbraw/zinc/02/53/34/1085025334.db2.gz NSKGNUXBUFBGJO-UHFFFAOYSA-N 2 1 356.333 4.182 20 0 FIADMP C[NH+](C)CC1CC[NH+](c2ccc(NC3CCC4(CCCO4)CC3)cc2)CC1 ZINC000376411816 1085025455 /nfs/dbraw/zinc/02/54/55/1085025455.db2.gz RDIKJSFCDGXHMJ-UHFFFAOYSA-N 2 1 371.569 4.368 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)c1 ZINC000414322713 1085058115 /nfs/dbraw/zinc/05/81/15/1085058115.db2.gz FYTBWZBRLYASED-UHFFFAOYSA-N 2 1 366.484 4.061 20 0 FIADMP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000074990225 1085509694 /nfs/dbraw/zinc/50/96/94/1085509694.db2.gz DEPGCMVIIMQKNU-QGZVFWFLSA-N 2 1 356.514 4.158 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000652187148 1085748966 /nfs/dbraw/zinc/74/89/66/1085748966.db2.gz DCDDUHMIZZHTFS-DHIUTWEWSA-N 2 1 370.512 4.269 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844803 1085822424 /nfs/dbraw/zinc/82/24/24/1085822424.db2.gz NQBXNGREMGYUAW-RBBKRZOGSA-N 3 1 357.586 4.284 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844803 1085822438 /nfs/dbraw/zinc/82/24/38/1085822438.db2.gz NQBXNGREMGYUAW-RBBKRZOGSA-N 3 1 357.586 4.284 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636451 1085906336 /nfs/dbraw/zinc/90/63/36/1085906336.db2.gz OGDFCYGMSIJMHW-BMGDILEWSA-N 2 1 371.550 4.405 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636451 1085906346 /nfs/dbraw/zinc/90/63/46/1085906346.db2.gz OGDFCYGMSIJMHW-BMGDILEWSA-N 2 1 371.550 4.405 20 0 FIADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350239 1085927229 /nfs/dbraw/zinc/92/72/29/1085927229.db2.gz NITLCHURBBOOLQ-OSDKZWGASA-N 2 1 357.325 4.273 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2cccc(Cl)c2F)s1 ZINC000511944017 1086032352 /nfs/dbraw/zinc/03/23/52/1086032352.db2.gz VKWCOPQXAAFNCI-UHFFFAOYSA-N 2 1 355.910 4.065 20 0 FIADMP Cc1cnn(CCCCC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990316 1086146109 /nfs/dbraw/zinc/14/61/09/1086146109.db2.gz HXFMWMOBUHTCNT-GMAHTHKFSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990316 1086146117 /nfs/dbraw/zinc/14/61/17/1086146117.db2.gz HXFMWMOBUHTCNT-GMAHTHKFSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990316 1086146129 /nfs/dbraw/zinc/14/61/29/1086146129.db2.gz HXFMWMOBUHTCNT-GMAHTHKFSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990316 1086146142 /nfs/dbraw/zinc/14/61/42/1086146142.db2.gz HXFMWMOBUHTCNT-GMAHTHKFSA-N 2 1 368.569 4.347 20 0 FIADMP Cc1cnn(CCCCC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246990316 1086146154 /nfs/dbraw/zinc/14/61/54/1086146154.db2.gz HXFMWMOBUHTCNT-GMAHTHKFSA-N 2 1 368.569 4.347 20 0 FIADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173108 1086350949 /nfs/dbraw/zinc/35/09/49/1086350949.db2.gz VVZXCWJZCDFNEA-BEFAXECRSA-N 2 1 358.913 4.113 20 0 FIADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173108 1086350959 /nfs/dbraw/zinc/35/09/59/1086350959.db2.gz VVZXCWJZCDFNEA-BEFAXECRSA-N 2 1 358.913 4.113 20 0 FIADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294434 1086398658 /nfs/dbraw/zinc/39/86/58/1086398658.db2.gz WCAYOPFXMOTFLK-HOCLYGCPSA-N 2 1 362.468 4.204 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662314542 1086410208 /nfs/dbraw/zinc/41/02/08/1086410208.db2.gz NDKKAWMEKFTUMH-DYESRHJHSA-N 2 1 353.510 4.008 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H]1CCC[NH3+] ZINC000662316786 1086412065 /nfs/dbraw/zinc/41/20/65/1086412065.db2.gz NVJJUNKDAAEHHT-XMSQKQJNSA-N 2 1 353.510 4.000 20 0 FIADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328004 1086418121 /nfs/dbraw/zinc/41/81/21/1086418121.db2.gz XOPYXSLRPDQKTG-HNNXBMFYSA-N 2 1 372.944 4.471 20 0 FIADMP Fc1ccc(Oc2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663343912 1086443633 /nfs/dbraw/zinc/44/36/33/1086443633.db2.gz JSBQSGVSVZHTGJ-IBGZPJMESA-N 2 1 369.484 4.225 20 0 FIADMP Fc1ccc(Oc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663343912 1086443638 /nfs/dbraw/zinc/44/36/38/1086443638.db2.gz JSBQSGVSVZHTGJ-IBGZPJMESA-N 2 1 369.484 4.225 20 0 FIADMP CCCCC/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751016 1086562013 /nfs/dbraw/zinc/56/20/13/1086562013.db2.gz MXYSINOUURXHII-ZGZCKBCJSA-N 2 1 356.554 4.493 20 0 FIADMP COC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467921 1086567348 /nfs/dbraw/zinc/56/73/48/1086567348.db2.gz IMPXYFNTQUSDCV-LPHOPBHVSA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467921 1086567365 /nfs/dbraw/zinc/56/73/65/1086567365.db2.gz IMPXYFNTQUSDCV-LPHOPBHVSA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467921 1086567378 /nfs/dbraw/zinc/56/73/78/1086567378.db2.gz IMPXYFNTQUSDCV-LPHOPBHVSA-N 2 1 370.459 4.105 20 0 FIADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468938 1086570378 /nfs/dbraw/zinc/57/03/78/1086570378.db2.gz NOIAPLAPBRNZQX-OCCSQVGLSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1sccc1Br ZINC000663468938 1086570384 /nfs/dbraw/zinc/57/03/84/1086570384.db2.gz NOIAPLAPBRNZQX-OCCSQVGLSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1sccc1Br ZINC000663468938 1086570393 /nfs/dbraw/zinc/57/03/93/1086570393.db2.gz NOIAPLAPBRNZQX-OCCSQVGLSA-N 2 1 357.361 4.283 20 0 FIADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751860 1086571898 /nfs/dbraw/zinc/57/18/98/1086571898.db2.gz MEWMIOADUNRVLN-OAHLLOKOSA-N 2 1 364.942 4.206 20 0 FIADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663474824 1086583968 /nfs/dbraw/zinc/58/39/68/1086583968.db2.gz RTHULTWQJHSIQT-KBXCAEBGSA-N 2 1 355.448 4.233 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511993392 1086599579 /nfs/dbraw/zinc/59/95/79/1086599579.db2.gz XIMQYFAOZPKLHL-WMUCXUQKSA-N 2 1 356.460 4.478 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623181 1086680025 /nfs/dbraw/zinc/68/00/25/1086680025.db2.gz VLAIVPYVCRTNQZ-RHSMWYFYSA-N 2 1 355.448 4.332 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427623181 1086680027 /nfs/dbraw/zinc/68/00/27/1086680027.db2.gz VLAIVPYVCRTNQZ-RHSMWYFYSA-N 2 1 355.448 4.332 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167834825 1086690168 /nfs/dbraw/zinc/69/01/68/1086690168.db2.gz NAYQAPAUOKBXST-RBUKOAKNSA-N 2 1 369.594 4.217 20 0 FIADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000583453749 1086696869 /nfs/dbraw/zinc/69/68/69/1086696869.db2.gz FGJSGKLGTDHGJB-QFIPXVFZSA-N 2 1 351.538 4.213 20 0 FIADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000583453749 1086696878 /nfs/dbraw/zinc/69/68/78/1086696878.db2.gz FGJSGKLGTDHGJB-QFIPXVFZSA-N 2 1 351.538 4.213 20 0 FIADMP CC[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000583467751 1086714075 /nfs/dbraw/zinc/71/40/75/1086714075.db2.gz QWDONDSNZKSFHZ-UHFFFAOYSA-N 2 1 351.288 4.126 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Sc2ccccc2OC)C1 ZINC001167839646 1086715609 /nfs/dbraw/zinc/71/56/09/1086715609.db2.gz AZMVNJBAIZKXLK-QZTJIDSGSA-N 2 1 350.572 4.372 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414939 1086737767 /nfs/dbraw/zinc/73/77/67/1086737767.db2.gz AXBWZQZXJIJBFM-QFBILLFUSA-N 2 1 358.551 4.369 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414939 1086737773 /nfs/dbraw/zinc/73/77/73/1086737773.db2.gz AXBWZQZXJIJBFM-QFBILLFUSA-N 2 1 358.551 4.369 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001167841612 1086737824 /nfs/dbraw/zinc/73/78/24/1086737824.db2.gz NCHWNZDSRYBIRU-FHWLQOOXSA-N 2 1 369.594 4.265 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414941 1086738463 /nfs/dbraw/zinc/73/84/63/1086738463.db2.gz AXBWZQZXJIJBFM-VQIMIIECSA-N 2 1 358.551 4.369 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414941 1086738466 /nfs/dbraw/zinc/73/84/66/1086738466.db2.gz AXBWZQZXJIJBFM-VQIMIIECSA-N 2 1 358.551 4.369 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413921 1086739860 /nfs/dbraw/zinc/73/98/60/1086739860.db2.gz OXCBVGQTPTUXEU-VJBMBRPKSA-N 2 1 374.569 4.200 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413921 1086739865 /nfs/dbraw/zinc/73/98/65/1086739865.db2.gz OXCBVGQTPTUXEU-VJBMBRPKSA-N 2 1 374.569 4.200 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417745 1086741233 /nfs/dbraw/zinc/74/12/33/1086741233.db2.gz OCUPKKHYLDFVPP-HZPDHXFCSA-N 2 1 372.525 4.195 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417745 1086741242 /nfs/dbraw/zinc/74/12/42/1086741242.db2.gz OCUPKKHYLDFVPP-HZPDHXFCSA-N 2 1 372.525 4.195 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425024 1086750453 /nfs/dbraw/zinc/75/04/53/1086750453.db2.gz SPUDTVTZEZPAMZ-OXJNMPFZSA-N 2 1 350.934 4.272 20 0 FIADMP COc1ccc(C2(C[NH2+]Cc3ncc(C[NH+](C)C)s3)CCCCC2)cc1 ZINC000512088613 1086755371 /nfs/dbraw/zinc/75/53/71/1086755371.db2.gz OQJPDQQPXSWZTF-UHFFFAOYSA-N 2 1 373.566 4.205 20 0 FIADMP c1c2cnccc2oc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772133 1086814991 /nfs/dbraw/zinc/81/49/91/1086814991.db2.gz KBXGAALNMIRDLT-FQEVSTJZSA-N 2 1 361.489 4.220 20 0 FIADMP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000650741945 1086920303 /nfs/dbraw/zinc/92/03/03/1086920303.db2.gz OILZKNZYYYSEHQ-NJDAHSKKSA-N 2 1 369.484 4.413 20 0 FIADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000650756757 1086968809 /nfs/dbraw/zinc/96/88/09/1086968809.db2.gz JITBDLUTENFMHC-QGZVFWFLSA-N 2 1 363.274 4.085 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1)CC1CC1 ZINC000536142714 1086988882 /nfs/dbraw/zinc/98/88/82/1086988882.db2.gz ZWTPZUXYIKXKHR-UHFFFAOYSA-N 2 1 360.542 4.038 20 0 FIADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871539 1087006911 /nfs/dbraw/zinc/00/69/11/1087006911.db2.gz NUSQXXKZFIBZAL-DHIUTWEWSA-N 2 1 364.533 4.335 20 0 FIADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871539 1087006919 /nfs/dbraw/zinc/00/69/19/1087006919.db2.gz NUSQXXKZFIBZAL-DHIUTWEWSA-N 2 1 364.533 4.335 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898774 1087021635 /nfs/dbraw/zinc/02/16/35/1087021635.db2.gz LJRWUEMETQJCCI-MRXNPFEDSA-N 2 1 350.478 4.289 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898774 1087021642 /nfs/dbraw/zinc/02/16/42/1087021642.db2.gz LJRWUEMETQJCCI-MRXNPFEDSA-N 2 1 350.478 4.289 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898774 1087021648 /nfs/dbraw/zinc/02/16/48/1087021648.db2.gz LJRWUEMETQJCCI-MRXNPFEDSA-N 2 1 350.478 4.289 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898774 1087021656 /nfs/dbraw/zinc/02/16/56/1087021656.db2.gz LJRWUEMETQJCCI-MRXNPFEDSA-N 2 1 350.478 4.289 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130472 1087123347 /nfs/dbraw/zinc/12/33/47/1087123347.db2.gz DTFVJZVPHINWAV-KGLIPLIRSA-N 2 1 357.325 4.145 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584173222 1087201565 /nfs/dbraw/zinc/20/15/65/1087201565.db2.gz ZVXKTDOBRPKQHA-FDDCHVKYSA-N 2 1 363.505 4.075 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845362 1087291659 /nfs/dbraw/zinc/29/16/59/1087291659.db2.gz NJAPFPCXTFDFPG-IRXDYDNUSA-N 2 1 356.510 4.240 20 0 FIADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636036 1087329787 /nfs/dbraw/zinc/32/97/87/1087329787.db2.gz ALPRFZCEXYXGOF-HXUWFJFHSA-N 2 1 374.532 4.165 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636036 1087329790 /nfs/dbraw/zinc/32/97/90/1087329790.db2.gz ALPRFZCEXYXGOF-HXUWFJFHSA-N 2 1 374.532 4.165 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636036 1087329793 /nfs/dbraw/zinc/32/97/93/1087329793.db2.gz ALPRFZCEXYXGOF-HXUWFJFHSA-N 2 1 374.532 4.165 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000081636036 1087329800 /nfs/dbraw/zinc/32/98/00/1087329800.db2.gz ALPRFZCEXYXGOF-HXUWFJFHSA-N 2 1 374.532 4.165 20 0 FIADMP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000091071186 1087419988 /nfs/dbraw/zinc/41/99/88/1087419988.db2.gz BSRRJKVXZWDEQZ-QFIPXVFZSA-N 2 1 374.475 4.428 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCO)c2ccccc2F)CC1 ZINC000647345988 1087541813 /nfs/dbraw/zinc/54/18/13/1087541813.db2.gz PWNDOPWGEABHCE-YABDQXBESA-N 2 1 370.512 4.282 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000685424213 1087564750 /nfs/dbraw/zinc/56/47/50/1087564750.db2.gz GAZKFGQRGVYXNV-KXBFYZLASA-N 2 1 370.459 4.042 20 0 FIADMP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685463627 1087575351 /nfs/dbraw/zinc/57/53/51/1087575351.db2.gz RKLONEQZHPFMCP-OAQYLSRUSA-N 2 1 370.541 4.084 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000708567393 1087586999 /nfs/dbraw/zinc/58/69/99/1087586999.db2.gz AYRDENNWAUIKEL-SXWKCWPCSA-N 2 1 366.549 4.374 20 0 FIADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000137712989 1087598960 /nfs/dbraw/zinc/59/89/60/1087598960.db2.gz ZZORXACNBGYHOU-UHFFFAOYSA-N 2 1 358.913 4.207 20 0 FIADMP Cc1c[nH]nc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000685612748 1087641761 /nfs/dbraw/zinc/64/17/61/1087641761.db2.gz LCCNXYYXRYRWKP-UHFFFAOYSA-N 2 1 360.505 4.271 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2C1 ZINC000081342952 1087677048 /nfs/dbraw/zinc/67/70/48/1087677048.db2.gz PZTXBLMAXDQSPC-UHFFFAOYSA-N 2 1 357.542 4.107 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125778 1087730945 /nfs/dbraw/zinc/73/09/45/1087730945.db2.gz CFKRPKPSBDJSBZ-XXBNENTESA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125778 1087730950 /nfs/dbraw/zinc/73/09/50/1087730950.db2.gz CFKRPKPSBDJSBZ-XXBNENTESA-N 2 1 359.517 4.278 20 0 FIADMP CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143217 1087735548 /nfs/dbraw/zinc/73/55/48/1087735548.db2.gz XSORSJHFQDGXHX-XLIONFOSSA-N 2 1 370.562 4.216 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CC3)cc2)C1 ZINC000658137306 1087741416 /nfs/dbraw/zinc/74/14/16/1087741416.db2.gz GLCRBVPOYFJVAR-FGZHOGPDSA-N 2 1 370.924 4.148 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3c4ccccc4-c4ccccc43)cc2)C1 ZINC000658138385 1087743836 /nfs/dbraw/zinc/74/38/36/1087743836.db2.gz MRFJWKSSRJURMO-HXUWFJFHSA-N 2 1 370.496 4.113 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658206283 1087794554 /nfs/dbraw/zinc/79/45/54/1087794554.db2.gz IJJUEBKCPZCTPM-JFTIXFDTSA-N 2 1 364.533 4.059 20 0 FIADMP COCc1csc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000658209634 1087796464 /nfs/dbraw/zinc/79/64/64/1087796464.db2.gz IOGLQZBVELVBLF-ACDBMABISA-N 2 1 356.535 4.180 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@@H]1c1ccccc1 ZINC000423443165 1088240640 /nfs/dbraw/zinc/24/06/40/1088240640.db2.gz QHEDCPQYFDJWCR-SESVDKBCSA-N 2 1 365.521 4.296 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@@H]1c1ccccc1 ZINC000423443165 1088240654 /nfs/dbraw/zinc/24/06/54/1088240654.db2.gz QHEDCPQYFDJWCR-SESVDKBCSA-N 2 1 365.521 4.296 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000311427433 1088376104 /nfs/dbraw/zinc/37/61/04/1088376104.db2.gz GFMNDPZIAUVGNT-PKOBYXMFSA-N 2 1 356.485 4.397 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514044 1088708172 /nfs/dbraw/zinc/70/81/72/1088708172.db2.gz OEUDNMIWEYKUFT-UYAOXDASSA-N 2 1 350.506 4.184 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000514084811 1088724423 /nfs/dbraw/zinc/72/44/23/1088724423.db2.gz RMHDYABZYXWDGG-LZBANZJXSA-N 2 1 350.506 4.023 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000514089717 1088733050 /nfs/dbraw/zinc/73/30/50/1088733050.db2.gz RGAKZKJIKVMYEZ-XUVXKRRUSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1csc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000514089717 1088733065 /nfs/dbraw/zinc/73/30/65/1088733065.db2.gz RGAKZKJIKVMYEZ-XUVXKRRUSA-N 2 1 355.551 4.232 20 0 FIADMP C[NH+](C/C=C/C[N@H+](C)Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000613592052 1088749799 /nfs/dbraw/zinc/74/97/99/1088749799.db2.gz ZGQQQZXHYHJLFL-ONEGZZNKSA-N 2 1 366.402 4.363 20 0 FIADMP CO[C@@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000514146328 1088795949 /nfs/dbraw/zinc/79/59/49/1088795949.db2.gz WVKIABNBLQBMGE-NRFANRHFSA-N 2 1 373.928 4.271 20 0 FIADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)n2c1CCCC2 ZINC000434669429 1088935272 /nfs/dbraw/zinc/93/52/72/1088935272.db2.gz JAANPZKHBAXSKP-FQEVSTJZSA-N 2 1 357.542 4.281 20 0 FIADMP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1SC ZINC000434675793 1088941224 /nfs/dbraw/zinc/94/12/24/1088941224.db2.gz NHYJFWKEPAAZDF-UHFFFAOYSA-N 2 1 371.550 4.330 20 0 FIADMP CC(C)[C@@H]1[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC12CCC2 ZINC000430107802 1088997469 /nfs/dbraw/zinc/99/74/69/1088997469.db2.gz YMWLOFAKJSLLCW-QFIPXVFZSA-N 2 1 355.570 4.228 20 0 FIADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000434777263 1089030835 /nfs/dbraw/zinc/03/08/35/1089030835.db2.gz PFGXKTYQVMNCIA-XMSQKQJNSA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000434777261 1089031555 /nfs/dbraw/zinc/03/15/55/1089031555.db2.gz PFGXKTYQVMNCIA-GCJKJVERSA-N 2 1 374.569 4.091 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415076838 1089127254 /nfs/dbraw/zinc/12/72/54/1089127254.db2.gz BNTGNTTZAZDAMJ-HKUYNNGSSA-N 2 1 369.509 4.283 20 0 FIADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415085558 1089132708 /nfs/dbraw/zinc/13/27/08/1089132708.db2.gz QJKXJFCUMOFKIK-ROUUACIJSA-N 2 1 364.411 4.211 20 0 FIADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549237096 1089318164 /nfs/dbraw/zinc/31/81/64/1089318164.db2.gz JTVCHWFGUAHTKX-NLGAHDLLSA-N 2 1 350.934 4.267 20 0 FIADMP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)cc1 ZINC000430124690 1089365855 /nfs/dbraw/zinc/36/58/55/1089365855.db2.gz LHQNFQYFTHDNHM-QFIPXVFZSA-N 2 1 352.478 4.015 20 0 FIADMP COc1ccc(Oc2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)cc1 ZINC000430124690 1089365873 /nfs/dbraw/zinc/36/58/73/1089365873.db2.gz LHQNFQYFTHDNHM-QFIPXVFZSA-N 2 1 352.478 4.015 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2)cc1 ZINC000430124690 1089365891 /nfs/dbraw/zinc/36/58/91/1089365891.db2.gz LHQNFQYFTHDNHM-QFIPXVFZSA-N 2 1 352.478 4.015 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2)cc1 ZINC000430124690 1089365909 /nfs/dbraw/zinc/36/59/09/1089365909.db2.gz LHQNFQYFTHDNHM-QFIPXVFZSA-N 2 1 352.478 4.015 20 0 FIADMP Cc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc2cccnc12 ZINC000435390684 1089596903 /nfs/dbraw/zinc/59/69/03/1089596903.db2.gz PVADJFNJPMXGLF-QFIPXVFZSA-N 2 1 360.505 4.083 20 0 FIADMP Cc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc2cccnc12 ZINC000435390684 1089596919 /nfs/dbraw/zinc/59/69/19/1089596919.db2.gz PVADJFNJPMXGLF-QFIPXVFZSA-N 2 1 360.505 4.083 20 0 FIADMP CC(C)c1ncc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435423646 1089640549 /nfs/dbraw/zinc/64/05/49/1089640549.db2.gz VENAXQRXKVBOGQ-KRWDZBQOSA-N 2 1 361.580 4.472 20 0 FIADMP CC(C)c1ncc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435423646 1089640559 /nfs/dbraw/zinc/64/05/59/1089640559.db2.gz VENAXQRXKVBOGQ-KRWDZBQOSA-N 2 1 361.580 4.472 20 0 FIADMP c1cc(C[N@@H+](Cc2ccc3ncccc3c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425096 1089642249 /nfs/dbraw/zinc/64/22/49/1089642249.db2.gz BTSHDNZLXSUHST-OAQYLSRUSA-N 2 1 363.530 4.441 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001625891371 1089758119 /nfs/dbraw/zinc/75/81/19/1089758119.db2.gz HGGKQQIHKCNGEN-NQIIRXRSSA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001625891371 1089758133 /nfs/dbraw/zinc/75/81/33/1089758133.db2.gz HGGKQQIHKCNGEN-NQIIRXRSSA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001625891371 1089758147 /nfs/dbraw/zinc/75/81/47/1089758147.db2.gz HGGKQQIHKCNGEN-NQIIRXRSSA-N 2 1 357.542 4.120 20 0 FIADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000469282784 1089914817 /nfs/dbraw/zinc/91/48/17/1089914817.db2.gz RXLNCEFAQUINLO-KYJSFNMBSA-N 2 1 358.448 4.183 20 0 FIADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000416227019 1090267421 /nfs/dbraw/zinc/26/74/21/1090267421.db2.gz ONGINFDGOORIIH-IBGZPJMESA-N 2 1 359.901 4.033 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163947942 1090285204 /nfs/dbraw/zinc/28/52/04/1090285204.db2.gz RMFMPFYOSOYWII-KRWDZBQOSA-N 2 1 374.550 4.089 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256949 1090955970 /nfs/dbraw/zinc/95/59/70/1090955970.db2.gz OUQUFCSLKYXUDR-DZGCQCFKSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256949 1090955973 /nfs/dbraw/zinc/95/59/73/1090955973.db2.gz OUQUFCSLKYXUDR-DZGCQCFKSA-N 2 1 356.432 4.170 20 0 FIADMP Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n(C)n1 ZINC000418035821 1091033174 /nfs/dbraw/zinc/03/31/74/1091033174.db2.gz BGXDAGWGXQUZBZ-VZKPYBMVSA-N 2 1 372.944 4.086 20 0 FIADMP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124448 1091052750 /nfs/dbraw/zinc/05/27/50/1091052750.db2.gz NSNYGCLCRVTKBK-DOTOQJQBSA-N 2 1 354.460 4.473 20 0 FIADMP C[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124448 1091052756 /nfs/dbraw/zinc/05/27/56/1091052756.db2.gz NSNYGCLCRVTKBK-DOTOQJQBSA-N 2 1 354.460 4.473 20 0 FIADMP C[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124448 1091052763 /nfs/dbraw/zinc/05/27/63/1091052763.db2.gz NSNYGCLCRVTKBK-DOTOQJQBSA-N 2 1 354.460 4.473 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001167752157 1091159840 /nfs/dbraw/zinc/15/98/40/1091159840.db2.gz QKDVRLZJWULBAV-UYAOXDASSA-N 2 1 369.557 4.027 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167752157 1091159847 /nfs/dbraw/zinc/15/98/47/1091159847.db2.gz QKDVRLZJWULBAV-UYAOXDASSA-N 3 1 369.557 4.027 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167752157 1091159849 /nfs/dbraw/zinc/15/98/49/1091159849.db2.gz QKDVRLZJWULBAV-UYAOXDASSA-N 3 1 369.557 4.027 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525826 1091182994 /nfs/dbraw/zinc/18/29/94/1091182994.db2.gz IYXDJGQIIOCBCY-URXFXBBRSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464733 1091370186 /nfs/dbraw/zinc/37/01/86/1091370186.db2.gz CYJZDMFTAFOJMX-FUHWJXTLSA-N 2 1 360.448 4.461 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1ccc(Br)s1)Cc1ccccc1 ZINC000020550253 1091487054 /nfs/dbraw/zinc/48/70/54/1091487054.db2.gz SZEINKAXCQJRAK-UHFFFAOYSA-N 2 1 353.329 4.122 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1ccc(Br)s1)Cc1ccccc1 ZINC000020550253 1091487060 /nfs/dbraw/zinc/48/70/60/1091487060.db2.gz SZEINKAXCQJRAK-UHFFFAOYSA-N 2 1 353.329 4.122 20 0 FIADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388542616 1091509594 /nfs/dbraw/zinc/50/95/94/1091509594.db2.gz RSXFTXKBFWWFQN-KNQAVFIVSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512312340 1092032073 /nfs/dbraw/zinc/03/20/73/1092032073.db2.gz CYTYUBXJWBYOPY-LZLYRXPVSA-N 2 1 369.553 4.220 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000236859039 1092070059 /nfs/dbraw/zinc/07/00/59/1092070059.db2.gz PORMDSNBODFSPR-PKOBYXMFSA-N 2 1 367.578 4.019 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432731463 1092205805 /nfs/dbraw/zinc/20/58/05/1092205805.db2.gz SVENEPAHMHTHAV-UHFFFAOYSA-N 2 1 364.477 4.090 20 0 FIADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000093088568 1092226543 /nfs/dbraw/zinc/22/65/43/1092226543.db2.gz KLSWDLZRQLTZRV-UHFFFAOYSA-N 2 1 368.521 4.048 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000665271634 1092421095 /nfs/dbraw/zinc/42/10/95/1092421095.db2.gz PMMPUFPVFVSJGG-GOUWZUTHSA-N 2 1 361.533 4.146 20 0 FIADMP COc1cc([C@@H](C)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016649 1092424983 /nfs/dbraw/zinc/42/49/83/1092424983.db2.gz QGBCDIFIFFXLHY-IEBWSBKVSA-N 2 1 371.500 4.182 20 0 FIADMP C[NH+](C)CCC[N@H+](CC[C@@H]1CCOC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521116476 1092513380 /nfs/dbraw/zinc/51/33/80/1092513380.db2.gz MTROJQUZMWQDEZ-OAHLLOKOSA-N 2 1 359.341 4.174 20 0 FIADMP C[NH+](C)CCC[N@@H+](CC[C@@H]1CCOC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521116476 1092513386 /nfs/dbraw/zinc/51/33/86/1092513386.db2.gz MTROJQUZMWQDEZ-OAHLLOKOSA-N 2 1 359.341 4.174 20 0 FIADMP C[NH+](C)CCC[N@H+](CC[C@H]1CCOC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521116475 1092513725 /nfs/dbraw/zinc/51/37/25/1092513725.db2.gz MTROJQUZMWQDEZ-HNNXBMFYSA-N 2 1 359.341 4.174 20 0 FIADMP C[NH+](C)CCC[N@@H+](CC[C@H]1CCOC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521116475 1092513739 /nfs/dbraw/zinc/51/37/39/1092513739.db2.gz MTROJQUZMWQDEZ-HNNXBMFYSA-N 2 1 359.341 4.174 20 0 FIADMP C[C@@H]1C[C@@H](NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014111 1092674955 /nfs/dbraw/zinc/67/49/55/1092674955.db2.gz KABPCMNFRVRFFP-WNXIRNOKSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014111 1092674962 /nfs/dbraw/zinc/67/49/62/1092674962.db2.gz KABPCMNFRVRFFP-WNXIRNOKSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014111 1092674965 /nfs/dbraw/zinc/67/49/65/1092674965.db2.gz KABPCMNFRVRFFP-WNXIRNOKSA-N 2 1 365.565 4.321 20 0 FIADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442784301 1092761056 /nfs/dbraw/zinc/76/10/56/1092761056.db2.gz RXVYKYRLCMOJCY-TYABSZSSSA-N 2 1 372.516 4.254 20 0 FIADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442784301 1092761062 /nfs/dbraw/zinc/76/10/62/1092761062.db2.gz RXVYKYRLCMOJCY-TYABSZSSSA-N 2 1 372.516 4.254 20 0 FIADMP c1cc2cc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc2[nH]1 ZINC000442806909 1092765497 /nfs/dbraw/zinc/76/54/97/1092765497.db2.gz CVZYTKQKBWXWRO-NUNAXRQHSA-N 2 1 359.517 4.496 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442793812 1092770078 /nfs/dbraw/zinc/77/00/78/1092770078.db2.gz SDIHCFQJVHVAFX-CRAIPNDOSA-N 2 1 356.473 4.480 20 0 FIADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1(C)C ZINC000442880702 1092836403 /nfs/dbraw/zinc/83/64/03/1092836403.db2.gz ZHOFOTARKUVBCH-SFHVURJKSA-N 2 1 370.368 4.060 20 0 FIADMP COc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203439686 1092902399 /nfs/dbraw/zinc/90/23/99/1092902399.db2.gz UPBJJTIKDQYSTD-LEWJYISDSA-N 2 1 350.506 4.039 20 0 FIADMP COc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203439686 1092902400 /nfs/dbraw/zinc/90/24/00/1092902400.db2.gz UPBJJTIKDQYSTD-LEWJYISDSA-N 2 1 350.506 4.039 20 0 FIADMP COc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001203439686 1092902406 /nfs/dbraw/zinc/90/24/06/1092902406.db2.gz UPBJJTIKDQYSTD-LEWJYISDSA-N 2 1 350.506 4.039 20 0 FIADMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC(C)C ZINC000521817495 1092936156 /nfs/dbraw/zinc/93/61/56/1092936156.db2.gz DWSVLKPMOXHVHN-KDURUIRLSA-N 2 1 362.558 4.330 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000443099757 1092949899 /nfs/dbraw/zinc/94/98/99/1092949899.db2.gz UZWKNXUJISYUOL-SUMWQHHRSA-N 2 1 358.423 4.196 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@H]1C ZINC000512673414 1093120932 /nfs/dbraw/zinc/12/09/32/1093120932.db2.gz QMTNXSCQHGAOBH-SELNLUPBSA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017514 1093151394 /nfs/dbraw/zinc/15/13/94/1093151394.db2.gz AVOOOVGUTFYMBP-UDMCKFQASA-N 2 1 355.570 4.033 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053382 1093153368 /nfs/dbraw/zinc/15/33/68/1093153368.db2.gz DLNHPEXIFYAQAU-PKOBYXMFSA-N 2 1 350.497 4.355 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C3CCC(F)(F)CC3)CCCC2)CC1 ZINC000474065554 1093178785 /nfs/dbraw/zinc/17/87/85/1093178785.db2.gz JQBLKTCRJUPEFC-INIZCTEOSA-N 2 1 358.517 4.214 20 0 FIADMP CC(C)(C)c1cnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000433126755 1093311129 /nfs/dbraw/zinc/31/11/29/1093311129.db2.gz PMVNDFJVAHBDDM-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP CC(C)(C)c1cnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000433126755 1093311136 /nfs/dbraw/zinc/31/11/36/1093311136.db2.gz PMVNDFJVAHBDDM-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP COc1cc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC001168028632 1093539848 /nfs/dbraw/zinc/53/98/48/1093539848.db2.gz POOWSMOBZIQGFB-IAGOWNOFSA-N 2 1 356.485 4.366 20 0 FIADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031390 1093624932 /nfs/dbraw/zinc/62/49/32/1093624932.db2.gz YVXHRYACVWMSIA-VWNVYAMZSA-N 2 1 352.522 4.354 20 0 FIADMP C[C@@H]1CC(N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032289 1093652279 /nfs/dbraw/zinc/65/22/79/1093652279.db2.gz HHHDHVJVLRNGLS-SBHAEUEKSA-N 2 1 357.586 4.138 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000067222652 1093718637 /nfs/dbraw/zinc/71/86/37/1093718637.db2.gz CFQKCAVGVOHYDK-GOSISDBHSA-N 2 1 368.521 4.192 20 0 FIADMP COc1cc([C@H](C)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168033868 1093733268 /nfs/dbraw/zinc/73/32/68/1093733268.db2.gz MNTPWXOYTQTWQF-NYUBLWNDSA-N 2 1 353.510 4.182 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168033868 1093733277 /nfs/dbraw/zinc/73/32/77/1093733277.db2.gz MNTPWXOYTQTWQF-NYUBLWNDSA-N 2 1 353.510 4.182 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168033868 1093733288 /nfs/dbraw/zinc/73/32/88/1093733288.db2.gz MNTPWXOYTQTWQF-NYUBLWNDSA-N 2 1 353.510 4.182 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168033868 1093733294 /nfs/dbraw/zinc/73/32/94/1093733294.db2.gz MNTPWXOYTQTWQF-NYUBLWNDSA-N 2 1 353.510 4.182 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000513067211 1093751401 /nfs/dbraw/zinc/75/14/01/1093751401.db2.gz CUNFPKYCXIBITQ-ZWKOTPCHSA-N 2 1 355.551 4.336 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)sc2C1 ZINC000513067211 1093751406 /nfs/dbraw/zinc/75/14/06/1093751406.db2.gz CUNFPKYCXIBITQ-ZWKOTPCHSA-N 2 1 355.551 4.336 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000474424249 1093762881 /nfs/dbraw/zinc/76/28/81/1093762881.db2.gz GJFTUYYEJVFEBR-FVQBIDKESA-N 2 1 356.341 4.035 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000474424249 1093762886 /nfs/dbraw/zinc/76/28/86/1093762886.db2.gz GJFTUYYEJVFEBR-FVQBIDKESA-N 2 1 356.341 4.035 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000474474547 1093819612 /nfs/dbraw/zinc/81/96/12/1093819612.db2.gz HFRCMLJDVXUSSZ-IPMKNSEASA-N 2 1 362.558 4.298 20 0 FIADMP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337686 1094064472 /nfs/dbraw/zinc/06/44/72/1094064472.db2.gz JMDUIDIDWBMCCU-FBHQFGEZSA-N 2 1 364.533 4.348 20 0 FIADMP COCc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513487683 1094158145 /nfs/dbraw/zinc/15/81/45/1094158145.db2.gz IQOZTGBOZOPEIT-SIKLNZKXSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000513499809 1094172740 /nfs/dbraw/zinc/17/27/40/1094172740.db2.gz IXZCODLMEVSWNO-NQIIRXRSSA-N 2 1 368.521 4.094 20 0 FIADMP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000513501494 1094175301 /nfs/dbraw/zinc/17/53/01/1094175301.db2.gz SXWIVGYXQSOPIV-QUCCMNQESA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000509928035 1094190029 /nfs/dbraw/zinc/19/00/29/1094190029.db2.gz QGFCJRGFOKBPFB-KRWDZBQOSA-N 2 1 359.539 4.428 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH]nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513544602 1094205894 /nfs/dbraw/zinc/20/58/94/1094205894.db2.gz KGZMOPXIEYPHOE-MJGOQNOKSA-N 2 1 354.542 4.098 20 0 FIADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000513679421 1094264199 /nfs/dbraw/zinc/26/41/99/1094264199.db2.gz WZYLSPHOLSKMCZ-DODNOZFWSA-N 2 1 356.554 4.082 20 0 FIADMP Cc1[nH+]ccn1CCCSCCCCSCCCn1cc[nH+]c1C ZINC000280054204 1094288666 /nfs/dbraw/zinc/28/86/66/1094288666.db2.gz YKULHUKYSDHDRM-UHFFFAOYSA-N 2 1 366.600 4.423 20 0 FIADMP C[N@H+](Cc1cccc(OC(C)(C)C)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029610 1094427448 /nfs/dbraw/zinc/42/74/48/1094427448.db2.gz SRAWZXKFTMDSBJ-UHFFFAOYSA-N 2 1 368.525 4.002 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000453389301 1094551281 /nfs/dbraw/zinc/55/12/81/1094551281.db2.gz XGPHAAUHMXEYGX-FQOCKNPQSA-N 2 1 350.506 4.366 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000453389301 1094551296 /nfs/dbraw/zinc/55/12/96/1094551296.db2.gz XGPHAAUHMXEYGX-FQOCKNPQSA-N 2 1 350.506 4.366 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000474803377 1094638877 /nfs/dbraw/zinc/63/88/77/1094638877.db2.gz AWEDVZMFGNEJLJ-ZFQANFLFSA-N 2 1 372.553 4.141 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000474803377 1094638885 /nfs/dbraw/zinc/63/88/85/1094638885.db2.gz AWEDVZMFGNEJLJ-ZFQANFLFSA-N 2 1 372.553 4.141 20 0 FIADMP Fc1ccc(C(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404006 1094696560 /nfs/dbraw/zinc/69/65/60/1094696560.db2.gz FDRAPBHRRPYMRL-LEWJYISDSA-N 2 1 356.460 4.313 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000501423268 1094702121 /nfs/dbraw/zinc/70/21/21/1094702121.db2.gz MWUNDAVKBLLCOI-KRWDZBQOSA-N 2 1 358.476 4.418 20 0 FIADMP Fc1ccc(C(C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(F)cc2)cc1 ZINC000501419653 1094703178 /nfs/dbraw/zinc/70/31/78/1094703178.db2.gz KQZXWRZWPGJAHM-UHFFFAOYSA-N 2 1 356.460 4.313 20 0 FIADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC000501538886 1094764783 /nfs/dbraw/zinc/76/47/83/1094764783.db2.gz LJGURYUDFYJOMI-QFIPXVFZSA-N 2 1 353.485 4.447 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414441861 1094766247 /nfs/dbraw/zinc/76/62/47/1094766247.db2.gz ZQBDHXATMJHWNK-AEFFLSMTSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414441861 1094766262 /nfs/dbraw/zinc/76/62/62/1094766262.db2.gz ZQBDHXATMJHWNK-AEFFLSMTSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1cc(N2CCC([NH2+]C[C@@H](c3ccccc3)C(C)C)CC2)nc(C)[nH+]1 ZINC000474878474 1094826985 /nfs/dbraw/zinc/82/69/85/1094826985.db2.gz NQYMVRKCGAAANO-OAQYLSRUSA-N 2 1 352.526 4.092 20 0 FIADMP Cc1cc(C)c(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000420301277 1094868891 /nfs/dbraw/zinc/86/88/91/1094868891.db2.gz ALBGMUSEYRBTAN-LJQANCHMSA-N 2 1 355.551 4.213 20 0 FIADMP Cc1cc(C)c(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000420301277 1094868908 /nfs/dbraw/zinc/86/89/08/1094868908.db2.gz ALBGMUSEYRBTAN-LJQANCHMSA-N 2 1 355.551 4.213 20 0 FIADMP Cc1nc([C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000420316157 1094878764 /nfs/dbraw/zinc/87/87/64/1094878764.db2.gz XZETYZARHDLIOK-IKICRFKJSA-N 2 1 359.901 4.424 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000420378400 1094905649 /nfs/dbraw/zinc/90/56/49/1094905649.db2.gz UBROYVMCKLMZPK-GOSISDBHSA-N 2 1 366.427 4.192 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000420378400 1094905656 /nfs/dbraw/zinc/90/56/56/1094905656.db2.gz UBROYVMCKLMZPK-GOSISDBHSA-N 2 1 366.427 4.192 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000502277584 1095297229 /nfs/dbraw/zinc/29/72/29/1095297229.db2.gz BIPWEYMVFHKNQH-SIKLNZKXSA-N 2 1 356.554 4.500 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000502279877 1095299544 /nfs/dbraw/zinc/29/95/44/1095299544.db2.gz FRMJMRAICJBJIV-SIKLNZKXSA-N 2 1 356.554 4.357 20 0 FIADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000502339435 1095374708 /nfs/dbraw/zinc/37/47/08/1095374708.db2.gz IVCHJZBCKJBHOS-MRXNPFEDSA-N 2 1 361.436 4.200 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000280953147 1095462039 /nfs/dbraw/zinc/46/20/39/1095462039.db2.gz IWLADRHVKYSOJF-XLCOUGHXSA-N 2 1 374.594 4.074 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(C4CC4)c3)CC2)oc1C ZINC000421326090 1095525335 /nfs/dbraw/zinc/52/53/35/1095525335.db2.gz NHVXYBHFSRUNTL-UHFFFAOYSA-N 2 1 353.510 4.171 20 0 FIADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359360 1095555357 /nfs/dbraw/zinc/55/53/57/1095555357.db2.gz WUHYPBWZHWTUPC-QHCPKHFHSA-N 2 1 364.537 4.193 20 0 FIADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359360 1095555372 /nfs/dbraw/zinc/55/53/72/1095555372.db2.gz WUHYPBWZHWTUPC-QHCPKHFHSA-N 2 1 364.537 4.193 20 0 FIADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359360 1095555389 /nfs/dbraw/zinc/55/53/89/1095555389.db2.gz WUHYPBWZHWTUPC-QHCPKHFHSA-N 2 1 364.537 4.193 20 0 FIADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C2)C1 ZINC000421359360 1095555402 /nfs/dbraw/zinc/55/54/02/1095555402.db2.gz WUHYPBWZHWTUPC-QHCPKHFHSA-N 2 1 364.537 4.193 20 0 FIADMP CCC[C@@H](C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000421380482 1095580901 /nfs/dbraw/zinc/58/09/01/1095580901.db2.gz VUZUUEXCPVRAGP-QFIPXVFZSA-N 2 1 357.586 4.062 20 0 FIADMP FC(F)(F)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000443986087 1095581202 /nfs/dbraw/zinc/58/12/02/1095581202.db2.gz VGJYZUUWBCTFBW-UHFFFAOYSA-N 2 1 355.429 4.048 20 0 FIADMP CC[N@@H+](CCCCn1ccnc1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000502693895 1095716757 /nfs/dbraw/zinc/71/67/57/1095716757.db2.gz LXRFROCERYZJBB-KNQAVFIVSA-N 2 1 354.542 4.129 20 0 FIADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000502693895 1095716773 /nfs/dbraw/zinc/71/67/73/1095716773.db2.gz LXRFROCERYZJBB-KNQAVFIVSA-N 2 1 354.542 4.129 20 0 FIADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000502693895 1095716788 /nfs/dbraw/zinc/71/67/88/1095716788.db2.gz LXRFROCERYZJBB-KNQAVFIVSA-N 2 1 354.542 4.129 20 0 FIADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1 ZINC000414675024 1096417328 /nfs/dbraw/zinc/41/73/28/1096417328.db2.gz QLMNAQLKASCAFS-MRXNPFEDSA-N 2 1 362.876 4.099 20 0 FIADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1 ZINC000414675024 1096417336 /nfs/dbraw/zinc/41/73/36/1096417336.db2.gz QLMNAQLKASCAFS-MRXNPFEDSA-N 2 1 362.876 4.099 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422714191 1096468141 /nfs/dbraw/zinc/46/81/41/1096468141.db2.gz KTPHCZDRUXNVKW-ZEQRLZLVSA-N 2 1 374.532 4.219 20 0 FIADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC000422723298 1096471192 /nfs/dbraw/zinc/47/11/92/1096471192.db2.gz QUXKHAZISRFMBS-MSOLQXFVSA-N 2 1 372.394 4.126 20 0 FIADMP C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCC1)c1c[nH+]ccc1N ZINC000422738628 1096477089 /nfs/dbraw/zinc/47/70/89/1096477089.db2.gz JQAHOXZPIAZQMQ-ZDUSSCGKSA-N 2 1 360.299 4.029 20 0 FIADMP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCC1)c1c[nH+]ccc1N ZINC000422746219 1096479273 /nfs/dbraw/zinc/47/92/73/1096479273.db2.gz ZCZBAUQMEGQFQK-CYBMUJFWSA-N 2 1 360.299 4.029 20 0 FIADMP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000503591390 1096487815 /nfs/dbraw/zinc/48/78/15/1096487815.db2.gz HRQVRWZBSCYLIL-GHTZIAJQSA-N 2 1 356.510 4.206 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000422761306 1096490905 /nfs/dbraw/zinc/49/09/05/1096490905.db2.gz RBRMZYQUFKOYNV-CYFNAFFESA-N 2 1 360.860 4.386 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000422858661 1096507215 /nfs/dbraw/zinc/50/72/15/1096507215.db2.gz IPJDYQXNYMWXNL-HTZUNMPGSA-N 2 1 371.550 4.347 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422866310 1096508256 /nfs/dbraw/zinc/50/82/56/1096508256.db2.gz QDRSNFAQKSRLDH-NJDAHSKKSA-N 2 1 369.484 4.413 20 0 FIADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422869548 1096515899 /nfs/dbraw/zinc/51/58/99/1096515899.db2.gz ANMVREDDQPARLX-IXDOHACOSA-N 2 1 368.468 4.087 20 0 FIADMP Clc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)s1 ZINC000422999009 1096546875 /nfs/dbraw/zinc/54/68/75/1096546875.db2.gz XKZPGAGOINAEAZ-SUMWQHHRSA-N 2 1 369.317 4.400 20 0 FIADMP FC(F)(F)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423039107 1096557216 /nfs/dbraw/zinc/55/72/16/1096557216.db2.gz PSWFQSXNCOSFKH-ZIAGYGMSSA-N 2 1 365.237 4.174 20 0 FIADMP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000423060775 1096560511 /nfs/dbraw/zinc/56/05/11/1096560511.db2.gz IWKSTLCEKACMIJ-ZKYQVNSYSA-N 2 1 354.338 4.287 20 0 FIADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000414720329 1096600588 /nfs/dbraw/zinc/60/05/88/1096600588.db2.gz BRZHWOMHINJLFW-HXUWFJFHSA-N 2 1 356.535 4.209 20 0 FIADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1F ZINC000423193576 1096613369 /nfs/dbraw/zinc/61/33/69/1096613369.db2.gz XHTHWWHFDTWMFJ-PZJWPPBQSA-N 2 1 371.500 4.025 20 0 FIADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423202813 1096615204 /nfs/dbraw/zinc/61/52/04/1096615204.db2.gz RFIKJBPPSDAEGX-NRFANRHFSA-N 2 1 353.510 4.015 20 0 FIADMP CC[C@H](C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000414723836 1096615338 /nfs/dbraw/zinc/61/53/38/1096615338.db2.gz QNLWZIAEXPSEMJ-IEBWSBKVSA-N 2 1 355.551 4.281 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCC ZINC000414727681 1096628837 /nfs/dbraw/zinc/62/88/37/1096628837.db2.gz AUDRSBRSCWAKBL-INIZCTEOSA-N 2 1 354.922 4.101 20 0 FIADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1cccc(Cl)c1 ZINC000423296143 1096644703 /nfs/dbraw/zinc/64/47/03/1096644703.db2.gz YIPGHFSCIHEOQV-ZIAGYGMSSA-N 2 1 369.900 4.100 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000423392990 1096664701 /nfs/dbraw/zinc/66/47/01/1096664701.db2.gz XYNZMSLHGUYRNN-SCVCMEIPSA-N 2 1 365.237 4.259 20 0 FIADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423447472 1096679155 /nfs/dbraw/zinc/67/91/55/1096679155.db2.gz PBSCCJAANYYHGU-VWYCJHECSA-N 2 1 368.344 4.267 20 0 FIADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423495038 1096707040 /nfs/dbraw/zinc/70/70/40/1096707040.db2.gz BLIWTZSOCJKAGQ-JTOYRKQZSA-N 2 1 363.549 4.034 20 0 FIADMP CC(C[NH+]1CCC[C@H]1c1ccccn1)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533026134 1098680657 /nfs/dbraw/zinc/68/06/57/1098680657.db2.gz YCGJXPKDXJFVGL-VXKWHMMOSA-N 2 1 350.510 4.087 20 0 FIADMP CC(C[NH+]1CCC[C@H]1c1ccccn1)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533026134 1098680660 /nfs/dbraw/zinc/68/06/60/1098680660.db2.gz YCGJXPKDXJFVGL-VXKWHMMOSA-N 2 1 350.510 4.087 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436301831 1098915866 /nfs/dbraw/zinc/91/58/66/1098915866.db2.gz OTIHAPJGTIOWBH-HRAATJIYSA-N 2 1 351.469 4.307 20 0 FIADMP CCCC[C@@H](CC)C[N@@H+]1CCCC2(CC[NH+](COCCOC)CC2)C1 ZINC001280169162 1099409191 /nfs/dbraw/zinc/40/91/91/1099409191.db2.gz ZDPZKUHBTNWCNJ-HXUWFJFHSA-N 2 1 354.579 4.001 20 0 FIADMP CCCC[C@@H](CC)C[N@H+]1CCCC2(CC[NH+](COCCOC)CC2)C1 ZINC001280169162 1099409200 /nfs/dbraw/zinc/40/92/00/1099409200.db2.gz ZDPZKUHBTNWCNJ-HXUWFJFHSA-N 2 1 354.579 4.001 20 0 FIADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000262035914 1099688967 /nfs/dbraw/zinc/68/89/67/1099688967.db2.gz XTQFVYVDHZUDSJ-JTQLQIEISA-N 2 1 365.237 4.027 20 0 FIADMP CC[N@@H+](Cc1ccc(-c2nc(-c3ccc(C[NH3+])cc3)no2)cc1)C(C)C ZINC000262087791 1099692969 /nfs/dbraw/zinc/69/29/69/1099692969.db2.gz UNYQJWRTZZFZMN-UHFFFAOYSA-N 2 1 350.466 4.093 20 0 FIADMP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000262629013 1099725890 /nfs/dbraw/zinc/72/58/90/1099725890.db2.gz GPUSRTCGZZSDQK-DYESRHJHSA-N 2 1 351.494 4.008 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692884 1099827763 /nfs/dbraw/zinc/82/77/63/1099827763.db2.gz BPZUNCCJIVRRJS-GGPKGHCWSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701307 1099842231 /nfs/dbraw/zinc/84/22/31/1099842231.db2.gz WNIYKKAQWZLLAT-XUZZJYLKSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H](NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701307 1099842242 /nfs/dbraw/zinc/84/22/42/1099842242.db2.gz WNIYKKAQWZLLAT-XUZZJYLKSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H](NCCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701307 1099842250 /nfs/dbraw/zinc/84/22/50/1099842250.db2.gz WNIYKKAQWZLLAT-XUZZJYLKSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701307 1099842255 /nfs/dbraw/zinc/84/22/55/1099842255.db2.gz WNIYKKAQWZLLAT-XUZZJYLKSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701307 1099842258 /nfs/dbraw/zinc/84/22/58/1099842258.db2.gz WNIYKKAQWZLLAT-XUZZJYLKSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701307 1099842264 /nfs/dbraw/zinc/84/22/64/1099842264.db2.gz WNIYKKAQWZLLAT-XUZZJYLKSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701307 1099842270 /nfs/dbraw/zinc/84/22/70/1099842270.db2.gz WNIYKKAQWZLLAT-XUZZJYLKSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCc1cccc2cccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700779 1099855644 /nfs/dbraw/zinc/85/56/44/1099855644.db2.gz RJNFXKMFCMUMDV-AUSIDOKSSA-N 2 1 359.517 4.278 20 0 FIADMP Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000508709538 1099876861 /nfs/dbraw/zinc/87/68/61/1099876861.db2.gz HSMJTJIAJZXKGI-ZTCOLXNVSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709538 1099876869 /nfs/dbraw/zinc/87/68/69/1099876869.db2.gz HSMJTJIAJZXKGI-ZTCOLXNVSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709538 1099876879 /nfs/dbraw/zinc/87/68/79/1099876879.db2.gz HSMJTJIAJZXKGI-ZTCOLXNVSA-N 2 1 365.565 4.098 20 0 FIADMP C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719422 1099909481 /nfs/dbraw/zinc/90/94/81/1099909481.db2.gz PMBGZVHOMMMZBP-MJGOQNOKSA-N 2 1 371.594 4.483 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722916 1099942995 /nfs/dbraw/zinc/94/29/95/1099942995.db2.gz YXOWVJJDWMAJFH-ZJSXRUAMSA-N 3 1 371.613 4.245 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000508722916 1099942998 /nfs/dbraw/zinc/94/29/98/1099942998.db2.gz YXOWVJJDWMAJFH-ZJSXRUAMSA-N 2 1 371.613 4.245 20 0 FIADMP CCOc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162776491 1099997534 /nfs/dbraw/zinc/99/75/34/1099997534.db2.gz LOXUZWYMKPPHFU-KRWDZBQOSA-N 2 1 371.525 4.253 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cc(Cl)ccc43)CC2)oc1C ZINC000162777279 1099997578 /nfs/dbraw/zinc/99/75/78/1099997578.db2.gz QGTHZDVXLOFNMF-FQEVSTJZSA-N 2 1 373.928 4.434 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459399328 1100106981 /nfs/dbraw/zinc/10/69/81/1100106981.db2.gz YXPZJDYXPHIGCK-QZTJIDSGSA-N 2 1 364.537 4.122 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000536652973 1100107325 /nfs/dbraw/zinc/10/73/25/1100107325.db2.gz FREYRGRITZOEOA-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000459406318 1100115161 /nfs/dbraw/zinc/11/51/61/1100115161.db2.gz JQAHPVQKKQGIMO-UHFFFAOYSA-N 2 1 356.432 4.209 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000536673322 1100158209 /nfs/dbraw/zinc/15/82/09/1100158209.db2.gz NOQWAIUFRCFZSZ-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000536673322 1100158222 /nfs/dbraw/zinc/15/82/22/1100158222.db2.gz NOQWAIUFRCFZSZ-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000536673322 1100158237 /nfs/dbraw/zinc/15/82/37/1100158237.db2.gz NOQWAIUFRCFZSZ-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000536673322 1100158246 /nfs/dbraw/zinc/15/82/46/1100158246.db2.gz NOQWAIUFRCFZSZ-OAQYLSRUSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1ccc2ncc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2c1 ZINC000536711574 1100229420 /nfs/dbraw/zinc/22/94/20/1100229420.db2.gz ZBGDIXHTWJHNNY-LJQANCHMSA-N 2 1 354.542 4.119 20 0 FIADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1O ZINC000459509927 1100263619 /nfs/dbraw/zinc/26/36/19/1100263619.db2.gz WKJVILMRYDCJLS-QGZVFWFLSA-N 2 1 374.912 4.056 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000536857013 1100373549 /nfs/dbraw/zinc/37/35/49/1100373549.db2.gz IMJYBZNNVVNRFZ-CABCVRRESA-N 2 1 353.432 4.457 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000536857031 1100373963 /nfs/dbraw/zinc/37/39/63/1100373963.db2.gz IMJYBZNNVVNRFZ-HUUCEWRRSA-N 2 1 353.432 4.457 20 0 FIADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC000536860693 1100376815 /nfs/dbraw/zinc/37/68/15/1100376815.db2.gz AINFUVREJIKVDN-UHFFFAOYSA-N 2 1 372.484 4.127 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000536869117 1100387781 /nfs/dbraw/zinc/38/77/81/1100387781.db2.gz KOCCFGDLNFISDV-KBPBESRZSA-N 2 1 355.404 4.120 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1 ZINC000536878371 1100399107 /nfs/dbraw/zinc/39/91/07/1100399107.db2.gz ONZPALXRBAXIDW-HYFFOGBASA-N 2 1 374.488 4.025 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1)CC1CC1 ZINC000438084786 1100412325 /nfs/dbraw/zinc/41/23/25/1100412325.db2.gz KAKVALWTEUTEAQ-UHFFFAOYSA-N 2 1 372.582 4.472 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000438107164 1100433359 /nfs/dbraw/zinc/43/33/59/1100433359.db2.gz VTFGSCDCJMKZPK-UHFFFAOYSA-N 2 1 369.553 4.114 20 0 FIADMP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438109082 1100435810 /nfs/dbraw/zinc/43/58/10/1100435810.db2.gz INDUQASHGORLEB-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438109082 1100435819 /nfs/dbraw/zinc/43/58/19/1100435819.db2.gz INDUQASHGORLEB-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccsc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438109082 1100435832 /nfs/dbraw/zinc/43/58/32/1100435832.db2.gz INDUQASHGORLEB-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccsc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438109082 1100435845 /nfs/dbraw/zinc/43/58/45/1100435845.db2.gz INDUQASHGORLEB-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+]1CCN([C@H](C[NH2+]Cc2csc3ccccc23)c2cccs2)CC1 ZINC000517525497 1100453272 /nfs/dbraw/zinc/45/32/72/1100453272.db2.gz QHJDJYFJIFHFFU-GOSISDBHSA-N 2 1 371.575 4.041 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000438189450 1100501448 /nfs/dbraw/zinc/50/14/48/1100501448.db2.gz KPGMLAPJYHKYJU-MALNDZBISA-N 2 1 358.570 4.223 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000517571617 1100506429 /nfs/dbraw/zinc/50/64/29/1100506429.db2.gz ZDMOUPQDAGUYSO-YLJYHZDGSA-N 2 1 357.542 4.297 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195283 1100506931 /nfs/dbraw/zinc/50/69/31/1100506931.db2.gz BROBUOLTAHLEMB-KVSKMBFKSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195283 1100506947 /nfs/dbraw/zinc/50/69/47/1100506947.db2.gz BROBUOLTAHLEMB-KVSKMBFKSA-N 2 1 370.459 4.105 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)c1 ZINC000517629923 1100572059 /nfs/dbraw/zinc/57/20/59/1100572059.db2.gz BLGIRFPIEPKVSA-AUSIDOKSSA-N 2 1 364.533 4.227 20 0 FIADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000438771452 1100907467 /nfs/dbraw/zinc/90/74/67/1100907467.db2.gz KYCRZRMWJQZRFS-OAQYLSRUSA-N 2 1 355.526 4.018 20 0 FIADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)[C@@H](C)c1cccc(O)c1 ZINC000509546883 1100934249 /nfs/dbraw/zinc/93/42/49/1100934249.db2.gz WVWGGDBOIKOAPL-IBGZPJMESA-N 2 1 367.537 4.117 20 0 FIADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152745 1100950641 /nfs/dbraw/zinc/95/06/41/1100950641.db2.gz WQSMCTMZHMTGGT-QFBILLFUSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152745 1100950648 /nfs/dbraw/zinc/95/06/48/1100950648.db2.gz WQSMCTMZHMTGGT-QFBILLFUSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152745 1100950649 /nfs/dbraw/zinc/95/06/49/1100950649.db2.gz WQSMCTMZHMTGGT-QFBILLFUSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152745 1100950651 /nfs/dbraw/zinc/95/06/51/1100950651.db2.gz WQSMCTMZHMTGGT-QFBILLFUSA-N 2 1 374.550 4.108 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000518267970 1101051622 /nfs/dbraw/zinc/05/16/22/1101051622.db2.gz YWCNUUXMEPKTRK-INIZCTEOSA-N 2 1 368.949 4.349 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000426300072 1101219744 /nfs/dbraw/zinc/21/97/44/1101219744.db2.gz BTXCSWDFIRUYMC-APWZRJJASA-N 2 1 364.468 4.249 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439260677 1101284767 /nfs/dbraw/zinc/28/47/67/1101284767.db2.gz LODKZKCMALWMSK-UHFFFAOYSA-N 2 1 362.315 4.224 20 0 FIADMP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000426331141 1101292178 /nfs/dbraw/zinc/29/21/78/1101292178.db2.gz NHACVWOOGJIICH-IYOUNJFTSA-N 2 1 363.343 4.289 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000536891119 1101311675 /nfs/dbraw/zinc/31/16/75/1101311675.db2.gz AMWAWPXZJRTXHI-BSRJHKFKSA-N 2 1 350.506 4.194 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000426345732 1101323257 /nfs/dbraw/zinc/32/32/57/1101323257.db2.gz NCDAAWIKHKPSAK-IERDGZPVSA-N 2 1 356.535 4.005 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000459740220 1101367399 /nfs/dbraw/zinc/36/73/99/1101367399.db2.gz TYYKXSIIQIDOCL-LJQANCHMSA-N 2 1 366.553 4.047 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Br)ccc1F ZINC000518765570 1101523129 /nfs/dbraw/zinc/52/31/29/1101523129.db2.gz NCSOIKXJYZAILS-AWEZNQCLSA-N 2 1 357.311 4.332 20 0 FIADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000537295306 1101615700 /nfs/dbraw/zinc/61/57/00/1101615700.db2.gz MJLQWPBMYWWSRP-QGZVFWFLSA-N 2 1 366.484 4.108 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168165528 1101759566 /nfs/dbraw/zinc/75/95/66/1101759566.db2.gz DOYGEXFXNBRVOH-LRQRDZAKSA-N 2 1 357.929 4.438 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000519058664 1101879447 /nfs/dbraw/zinc/87/94/47/1101879447.db2.gz WNSUBAYFRIAANU-XUVXKRRUSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000519058664 1101879464 /nfs/dbraw/zinc/87/94/64/1101879464.db2.gz WNSUBAYFRIAANU-XUVXKRRUSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000519058661 1101880148 /nfs/dbraw/zinc/88/01/48/1101880148.db2.gz WNSUBAYFRIAANU-HSALFYBXSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000519058661 1101880166 /nfs/dbraw/zinc/88/01/66/1101880166.db2.gz WNSUBAYFRIAANU-HSALFYBXSA-N 2 1 355.551 4.232 20 0 FIADMP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506736287 1101965338 /nfs/dbraw/zinc/96/53/38/1101965338.db2.gz PJPHSFQLPRHNHB-QGZVFWFLSA-N 2 1 369.578 4.398 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131438 1101971057 /nfs/dbraw/zinc/97/10/57/1101971057.db2.gz JSDIMCHOSGUVEE-BBTUJRGHSA-N 2 1 366.505 4.019 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131438 1101971060 /nfs/dbraw/zinc/97/10/60/1101971060.db2.gz JSDIMCHOSGUVEE-BBTUJRGHSA-N 2 1 366.505 4.019 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290505 1101971757 /nfs/dbraw/zinc/97/17/57/1101971757.db2.gz ZOYHWNOSWSGQQH-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290505 1101971763 /nfs/dbraw/zinc/97/17/63/1101971763.db2.gz ZOYHWNOSWSGQQH-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967558 1102281290 /nfs/dbraw/zinc/28/12/90/1102281290.db2.gz HBTFVVBVBCBJED-SEJPIABJSA-N 2 1 350.506 4.214 20 0 FIADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C(=O)OC)cc1 ZINC000550782928 1102282353 /nfs/dbraw/zinc/28/23/53/1102282353.db2.gz BSDWOKIBEAJXAY-PBEJRMEISA-N 2 1 358.526 4.167 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648506064 1102297285 /nfs/dbraw/zinc/29/72/85/1102297285.db2.gz QJDFWGKNZYGZFL-NVXWUHKLSA-N 2 1 369.896 4.481 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648506064 1102297293 /nfs/dbraw/zinc/29/72/93/1102297293.db2.gz QJDFWGKNZYGZFL-NVXWUHKLSA-N 2 1 369.896 4.481 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000532442567 1102331928 /nfs/dbraw/zinc/33/19/28/1102331928.db2.gz JZTWBOVUZLCYBM-MOPGFXCFSA-N 2 1 352.522 4.441 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000532446885 1102339218 /nfs/dbraw/zinc/33/92/18/1102339218.db2.gz AFZURNBTLDXIPE-AVRDEDQJSA-N 2 1 365.521 4.035 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000532446885 1102339231 /nfs/dbraw/zinc/33/92/31/1102339231.db2.gz AFZURNBTLDXIPE-AVRDEDQJSA-N 2 1 365.521 4.035 20 0 FIADMP c1csc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)n1 ZINC001167969082 1102349195 /nfs/dbraw/zinc/34/91/95/1102349195.db2.gz ZRQRPPNPFRWDKG-IHWFROFDSA-N 2 1 353.535 4.305 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(CO)c1 ZINC000121239039 1102354559 /nfs/dbraw/zinc/35/45/59/1102354559.db2.gz HQXBFIHIFAUJTK-OALUTQOASA-N 2 1 352.522 4.404 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000532464567 1102370767 /nfs/dbraw/zinc/37/07/67/1102370767.db2.gz GXOTWLHRTZLUDE-UHFFFAOYSA-N 2 1 350.506 4.251 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000532500926 1102432219 /nfs/dbraw/zinc/43/22/19/1102432219.db2.gz RMOATJYQPLOLOK-BXWFABGCSA-N 2 1 368.949 4.136 20 0 FIADMP c1csc(-c2cnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)c1 ZINC000121795120 1102471479 /nfs/dbraw/zinc/47/14/79/1102471479.db2.gz NNHHNCSLLQRWTA-UHFFFAOYSA-N 2 1 359.539 4.491 20 0 FIADMP CC1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001168214780 1102495570 /nfs/dbraw/zinc/49/55/70/1102495570.db2.gz FRUFUDOBKJLZKX-VTLFHKLASA-N 2 1 356.554 4.321 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)[C@H](C)C1 ZINC000122002518 1102509001 /nfs/dbraw/zinc/50/90/01/1102509001.db2.gz FZIBEQSXNSHIEA-RYRKJORJSA-N 2 1 370.484 4.076 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)[C@H](C)C1 ZINC000122002518 1102509010 /nfs/dbraw/zinc/50/90/10/1102509010.db2.gz FZIBEQSXNSHIEA-RYRKJORJSA-N 2 1 370.484 4.076 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001168251918 1102649421 /nfs/dbraw/zinc/64/94/21/1102649421.db2.gz FDUBFEMHMGMYDO-QGZVFWFLSA-N 2 1 352.950 4.471 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3Cl)CC2)CC[N@H+]1C ZINC000550882925 1102653179 /nfs/dbraw/zinc/65/31/79/1102653179.db2.gz RTCGIYPVRHRIOI-JSGCOSHPSA-N 2 1 371.750 4.206 20 0 FIADMP CC1CC[NH+](CCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000550885063 1102656627 /nfs/dbraw/zinc/65/66/27/1102656627.db2.gz DCNNOZVVPCIILO-UHFFFAOYSA-N 3 1 357.586 4.141 20 0 FIADMP CC1CCN(CCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000550885063 1102656631 /nfs/dbraw/zinc/65/66/31/1102656631.db2.gz DCNNOZVVPCIILO-UHFFFAOYSA-N 2 1 357.586 4.141 20 0 FIADMP CC1CCN(CCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000550885063 1102656635 /nfs/dbraw/zinc/65/66/35/1102656635.db2.gz DCNNOZVVPCIILO-UHFFFAOYSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550885786 1102656665 /nfs/dbraw/zinc/65/66/65/1102656665.db2.gz JIWFAVASLGRRDV-SJBKTWHCSA-N 2 1 370.581 4.330 20 0 FIADMP COc1ccccc1CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975722 1102669306 /nfs/dbraw/zinc/66/93/06/1102669306.db2.gz VAKSKRIYIZEMAP-SEJPIABJSA-N 2 1 354.538 4.013 20 0 FIADMP Cc1nc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000664837656 1102680524 /nfs/dbraw/zinc/68/05/24/1102680524.db2.gz WXGVVMALQFKZMX-QFIPXVFZSA-N 2 1 367.537 4.414 20 0 FIADMP Cc1nc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000664837656 1102680530 /nfs/dbraw/zinc/68/05/30/1102680530.db2.gz WXGVVMALQFKZMX-QFIPXVFZSA-N 2 1 367.537 4.414 20 0 FIADMP Cc1noc([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835918 1102689370 /nfs/dbraw/zinc/68/93/70/1102689370.db2.gz HSCPYPWLQFYUCG-UZLBHIALSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1noc([C@@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835918 1102689372 /nfs/dbraw/zinc/68/93/72/1102689372.db2.gz HSCPYPWLQFYUCG-UZLBHIALSA-N 2 1 368.525 4.062 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000550999181 1102763957 /nfs/dbraw/zinc/76/39/57/1102763957.db2.gz MCSJAZHHYWBVOP-CQSZACIVSA-N 2 1 357.361 4.208 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551004571 1102772239 /nfs/dbraw/zinc/77/22/39/1102772239.db2.gz BZGGFRQNIAGNPE-ZEQRLZLVSA-N 3 1 365.565 4.454 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551004571 1102772249 /nfs/dbraw/zinc/77/22/49/1102772249.db2.gz BZGGFRQNIAGNPE-ZEQRLZLVSA-N 3 1 365.565 4.454 20 0 FIADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C[C@H](C)[N@@H+]1C ZINC000454233775 1102806443 /nfs/dbraw/zinc/80/64/43/1102806443.db2.gz XQWKMYLNPGXMSA-HDICACEKSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H](C)[NH+]1C ZINC000454233775 1102806460 /nfs/dbraw/zinc/80/64/60/1102806460.db2.gz XQWKMYLNPGXMSA-HDICACEKSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H](C)[NH+]1C ZINC000454233775 1102806473 /nfs/dbraw/zinc/80/64/73/1102806473.db2.gz XQWKMYLNPGXMSA-HDICACEKSA-N 2 1 372.557 4.007 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551051129 1102864590 /nfs/dbraw/zinc/86/45/90/1102864590.db2.gz NSDBUMCRBQJDGP-RIFZZMRRSA-N 2 1 372.484 4.329 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C[C@H]1c1ccccc1 ZINC000551052280 1102866353 /nfs/dbraw/zinc/86/63/53/1102866353.db2.gz ZOATZPOLEZCGDM-FUDKSRODSA-N 2 1 367.512 4.220 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C[C@H]1c1ccccc1 ZINC000551052280 1102866365 /nfs/dbraw/zinc/86/63/65/1102866365.db2.gz ZOATZPOLEZCGDM-FUDKSRODSA-N 2 1 367.512 4.220 20 0 FIADMP Cc1ccc(Cl)cc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983924 1102922074 /nfs/dbraw/zinc/92/20/74/1102922074.db2.gz LKRLLGOXKRJPSP-WCRBZPEASA-N 2 1 373.972 4.176 20 0 FIADMP Cc1ccc(Cl)cc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983924 1102922078 /nfs/dbraw/zinc/92/20/78/1102922078.db2.gz LKRLLGOXKRJPSP-WCRBZPEASA-N 2 1 373.972 4.176 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459366295 1102931069 /nfs/dbraw/zinc/93/10/69/1102931069.db2.gz BVNAILIYTGVUGS-QGZVFWFLSA-N 2 1 350.510 4.018 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459366295 1102931072 /nfs/dbraw/zinc/93/10/72/1102931072.db2.gz BVNAILIYTGVUGS-QGZVFWFLSA-N 2 1 350.510 4.018 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000536626284 1102933665 /nfs/dbraw/zinc/93/36/65/1102933665.db2.gz WUPLGZZKPAXHPY-CLCXKQKWSA-N 2 1 356.913 4.267 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000536626284 1102933671 /nfs/dbraw/zinc/93/36/71/1102933671.db2.gz WUPLGZZKPAXHPY-CLCXKQKWSA-N 2 1 356.913 4.267 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[NH+]3CCCCCC3)cn2c1 ZINC000551184747 1102958563 /nfs/dbraw/zinc/95/85/63/1102958563.db2.gz HAKTVOIPIJARKU-UHFFFAOYSA-N 2 1 362.521 4.309 20 0 FIADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C)c1 ZINC000476983955 1103002243 /nfs/dbraw/zinc/00/22/43/1103002243.db2.gz LQFDWAWGKNGTEE-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)c1 ZINC000476983955 1103002258 /nfs/dbraw/zinc/00/22/58/1103002258.db2.gz LQFDWAWGKNGTEE-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCS2 ZINC000467407200 1103041443 /nfs/dbraw/zinc/04/14/43/1103041443.db2.gz MSCJPEYANHCYIN-OAQYLSRUSA-N 2 1 368.546 4.270 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CCS2 ZINC000467407200 1103041458 /nfs/dbraw/zinc/04/14/58/1103041458.db2.gz MSCJPEYANHCYIN-OAQYLSRUSA-N 2 1 368.546 4.270 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000507530888 1103474864 /nfs/dbraw/zinc/47/48/64/1103474864.db2.gz QOTQJQAKXIYRHC-XUZZJYLKSA-N 2 1 366.549 4.484 20 0 FIADMP C[NH+]1CCC([NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187961788 1103555342 /nfs/dbraw/zinc/55/53/42/1103555342.db2.gz GENOXHCXDRBMST-QGZVFWFLSA-N 2 1 355.295 4.113 20 0 FIADMP CC[C@@](C)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nccs1 ZINC000152642205 1103596301 /nfs/dbraw/zinc/59/63/01/1103596301.db2.gz OKFPZNDPBYPMJK-HXUWFJFHSA-N 2 1 359.539 4.033 20 0 FIADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000551779174 1103626187 /nfs/dbraw/zinc/62/61/87/1103626187.db2.gz RJQALZFIFKYGJI-BHLLPTRUSA-N 2 1 364.533 4.299 20 0 FIADMP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000551798474 1103674952 /nfs/dbraw/zinc/67/49/52/1103674952.db2.gz YQSKJDGGFQLJPH-JVPBZIDWSA-N 2 1 352.444 4.415 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000477665301 1103764309 /nfs/dbraw/zinc/76/43/09/1103764309.db2.gz HLGJYEDDOHVMAX-QGZVFWFLSA-N 2 1 356.514 4.242 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000477665301 1103764323 /nfs/dbraw/zinc/76/43/23/1103764323.db2.gz HLGJYEDDOHVMAX-QGZVFWFLSA-N 2 1 356.514 4.242 20 0 FIADMP FC(F)(F)c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)[nH]n1 ZINC000440820532 1103966320 /nfs/dbraw/zinc/96/63/20/1103966320.db2.gz GGUVPYGQTGEYMP-UHFFFAOYSA-N 2 1 366.431 4.094 20 0 FIADMP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000461085679 1104068591 /nfs/dbraw/zinc/06/85/91/1104068591.db2.gz GEBOKSOQUFIWTK-JENIJYKNSA-N 2 1 362.558 4.080 20 0 FIADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073334 1104116077 /nfs/dbraw/zinc/11/60/77/1104116077.db2.gz XETKXQJJCXJKGX-KBPBESRZSA-N 2 1 361.477 4.216 20 0 FIADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073334 1104116082 /nfs/dbraw/zinc/11/60/82/1104116082.db2.gz XETKXQJJCXJKGX-KBPBESRZSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073334 1104116089 /nfs/dbraw/zinc/11/60/89/1104116089.db2.gz XETKXQJJCXJKGX-KBPBESRZSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073334 1104116096 /nfs/dbraw/zinc/11/60/96/1104116096.db2.gz XETKXQJJCXJKGX-KBPBESRZSA-N 2 1 361.477 4.216 20 0 FIADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520343990 1104284938 /nfs/dbraw/zinc/28/49/38/1104284938.db2.gz SRLYFAANSNFWQJ-CTNGQTDRSA-N 2 1 358.570 4.330 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000112517253 1104373992 /nfs/dbraw/zinc/37/39/92/1104373992.db2.gz ZGPUCAYFMMUPEF-HNNXBMFYSA-N 2 1 362.876 4.162 20 0 FIADMP c1ccc2c(c1)cccc2OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441419126 1104399495 /nfs/dbraw/zinc/39/94/95/1104399495.db2.gz JJURSYUUAFFQPX-DENIHFKCSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419126 1104399503 /nfs/dbraw/zinc/39/95/03/1104399503.db2.gz JJURSYUUAFFQPX-DENIHFKCSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441419126 1104399511 /nfs/dbraw/zinc/39/95/11/1104399511.db2.gz JJURSYUUAFFQPX-DENIHFKCSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441451904 1104741144 /nfs/dbraw/zinc/74/11/44/1104741144.db2.gz OIZOFPFOJJSSDR-HXUWFJFHSA-N 2 1 352.522 4.417 20 0 FIADMP COCCC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCC1 ZINC000189135463 1104782002 /nfs/dbraw/zinc/78/20/02/1104782002.db2.gz DQLCYKSKFVFBMY-JOCHJYFZSA-N 2 1 358.570 4.128 20 0 FIADMP c1ccc2cc(OCCC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000441466342 1104801198 /nfs/dbraw/zinc/80/11/98/1104801198.db2.gz NFDJJLQMAFVJJN-FQEVSTJZSA-N 2 1 352.522 4.417 20 0 FIADMP COc1cccc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168002131 1104969777 /nfs/dbraw/zinc/96/97/77/1104969777.db2.gz NARYMBSKLRNZMT-CCDCCJRHSA-N 2 1 354.538 4.280 20 0 FIADMP COc1cccc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168002131 1104969780 /nfs/dbraw/zinc/96/97/80/1104969780.db2.gz NARYMBSKLRNZMT-CCDCCJRHSA-N 2 1 354.538 4.280 20 0 FIADMP COc1cccc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168002131 1104969781 /nfs/dbraw/zinc/96/97/81/1104969781.db2.gz NARYMBSKLRNZMT-CCDCCJRHSA-N 2 1 354.538 4.280 20 0 FIADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168002965 1104993481 /nfs/dbraw/zinc/99/34/81/1104993481.db2.gz GATSQXAXBVDJKU-YOFSQIOKSA-N 2 1 364.455 4.469 20 0 FIADMP FC(F)(F)c1ccc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168002965 1104993486 /nfs/dbraw/zinc/99/34/86/1104993486.db2.gz GATSQXAXBVDJKU-YOFSQIOKSA-N 2 1 364.455 4.469 20 0 FIADMP FC(F)(F)c1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168002965 1104993488 /nfs/dbraw/zinc/99/34/88/1104993488.db2.gz GATSQXAXBVDJKU-YOFSQIOKSA-N 2 1 364.455 4.469 20 0 FIADMP FC(F)(F)c1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168002965 1104993494 /nfs/dbraw/zinc/99/34/94/1104993494.db2.gz GATSQXAXBVDJKU-YOFSQIOKSA-N 2 1 364.455 4.469 20 0 FIADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000507791505 1105077552 /nfs/dbraw/zinc/07/75/52/1105077552.db2.gz CPOXWEOKAOHXCE-YTFSRNRJSA-N 2 1 356.554 4.180 20 0 FIADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000507791505 1105077555 /nfs/dbraw/zinc/07/75/55/1105077555.db2.gz CPOXWEOKAOHXCE-YTFSRNRJSA-N 2 1 356.554 4.180 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000507792728 1105081013 /nfs/dbraw/zinc/08/10/13/1105081013.db2.gz GAXXTPCLVXJCIS-FGZHOGPDSA-N 2 1 356.554 4.180 20 0 FIADMP COc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168007393 1105132477 /nfs/dbraw/zinc/13/24/77/1105132477.db2.gz AMEKNBQKESNUFG-CEQLMSFQSA-N 2 1 368.521 4.105 20 0 FIADMP Cc1ccc2ncc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC001168007924 1105147489 /nfs/dbraw/zinc/14/74/89/1105147489.db2.gz VPJACHBWYARXMJ-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP Cc1ccc2ncc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC001168007924 1105147491 /nfs/dbraw/zinc/14/74/91/1105147491.db2.gz VPJACHBWYARXMJ-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000507866915 1105248645 /nfs/dbraw/zinc/24/86/45/1105248645.db2.gz VGXVSQUSZZBIGQ-NRFANRHFSA-N 2 1 356.460 4.249 20 0 FIADMP C[NH+](C)CC1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000427866884 1105303520 /nfs/dbraw/zinc/30/35/20/1105303520.db2.gz NEDQLHBMZRDUQK-KRWDZBQOSA-N 2 1 355.448 4.189 20 0 FIADMP C[C@H](CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)[NH+]1CCCCC1 ZINC000427870539 1105305657 /nfs/dbraw/zinc/30/56/57/1105305657.db2.gz ZREHRZYSWAASDN-RHSMWYFYSA-N 2 1 355.448 4.332 20 0 FIADMP Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508189227 1105347200 /nfs/dbraw/zinc/34/72/00/1105347200.db2.gz COJNAEFJFSOEGX-FQEVSTJZSA-N 2 1 366.553 4.175 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000508181691 1105350458 /nfs/dbraw/zinc/35/04/58/1105350458.db2.gz QIJRYKLRFOCNDG-UHFFFAOYSA-N 2 1 358.913 4.390 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000390837001 1106750492 /nfs/dbraw/zinc/75/04/92/1106750492.db2.gz AMXDBGNCPCAYKM-SFTDATJTSA-N 2 1 356.554 4.369 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000390837001 1106750505 /nfs/dbraw/zinc/75/05/05/1106750505.db2.gz AMXDBGNCPCAYKM-SFTDATJTSA-N 2 1 356.554 4.369 20 0 FIADMP COCCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000475357876 1106758748 /nfs/dbraw/zinc/75/87/48/1106758748.db2.gz ZDIFDLQWMOYGFZ-XMMPIXPASA-N 2 1 366.549 4.279 20 0 FIADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c(OC(F)(F)F)c3)C[C@H]2CC1 ZINC001279145918 1106947173 /nfs/dbraw/zinc/94/71/73/1106947173.db2.gz LNBIXMHRDBUKEJ-OKILXGFUSA-N 2 1 362.823 4.012 20 0 FIADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(OC(F)(F)F)c3)C[C@H]2CC1 ZINC001279145918 1106947174 /nfs/dbraw/zinc/94/71/74/1106947174.db2.gz LNBIXMHRDBUKEJ-OKILXGFUSA-N 2 1 362.823 4.012 20 0 FIADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(OC(F)(F)F)c3)C[C@H]2CC1 ZINC001279145918 1106947178 /nfs/dbraw/zinc/94/71/78/1106947178.db2.gz LNBIXMHRDBUKEJ-OKILXGFUSA-N 2 1 362.823 4.012 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC(C[NH+]2CCCC2)CC1 ZINC000301361300 1107003349 /nfs/dbraw/zinc/00/33/49/1107003349.db2.gz MBNAQOPMMBKIAB-UHFFFAOYSA-N 2 1 374.326 4.310 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000301371667 1107007098 /nfs/dbraw/zinc/00/70/98/1107007098.db2.gz PSGGSMAYQNPHFO-UHFFFAOYSA-N 2 1 374.326 4.310 20 0 FIADMP COc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711768 1107259629 /nfs/dbraw/zinc/25/96/29/1107259629.db2.gz XZZDBEJLTJKUGS-PZJWPPBQSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711768 1107259646 /nfs/dbraw/zinc/25/96/46/1107259646.db2.gz XZZDBEJLTJKUGS-PZJWPPBQSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711768 1107259660 /nfs/dbraw/zinc/25/96/60/1107259660.db2.gz XZZDBEJLTJKUGS-PZJWPPBQSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000530711768 1107259678 /nfs/dbraw/zinc/25/96/78/1107259678.db2.gz XZZDBEJLTJKUGS-PZJWPPBQSA-N 2 1 368.521 4.059 20 0 FIADMP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000302034890 1107268419 /nfs/dbraw/zinc/26/84/19/1107268419.db2.gz DZPPUFWYHWXMSD-GOSISDBHSA-N 2 1 367.880 4.067 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000302034890 1107268434 /nfs/dbraw/zinc/26/84/34/1107268434.db2.gz DZPPUFWYHWXMSD-GOSISDBHSA-N 2 1 367.880 4.067 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000530914291 1107408719 /nfs/dbraw/zinc/40/87/19/1107408719.db2.gz WOTFLTQEAVKGTG-IEBWSBKVSA-N 2 1 360.933 4.105 20 0 FIADMP CCCCOC(=O)[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168067980 1107522187 /nfs/dbraw/zinc/52/21/87/1107522187.db2.gz VZBLKZLPMWBVPP-IRFCIJBXSA-N 2 1 372.553 4.093 20 0 FIADMP Fc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680115 1107895143 /nfs/dbraw/zinc/89/51/43/1107895143.db2.gz IZJBCKKDRABNRX-AZUAARDMSA-N 2 1 352.453 4.046 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)C3(CC3)C1)CO2 ZINC000571680115 1107895166 /nfs/dbraw/zinc/89/51/66/1107895166.db2.gz IZJBCKKDRABNRX-AZUAARDMSA-N 2 1 352.453 4.046 20 0 FIADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000531531727 1107952972 /nfs/dbraw/zinc/95/29/72/1107952972.db2.gz GEQLRLUSWUJBCP-UHFFFAOYSA-N 2 1 369.372 4.278 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000523381360 1108162886 /nfs/dbraw/zinc/16/28/86/1108162886.db2.gz JWJOQRPUWVSHPA-GOSISDBHSA-N 2 1 365.521 4.232 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453102742 1108170573 /nfs/dbraw/zinc/17/05/73/1108170573.db2.gz BFEWLLLRWZAOKV-DLBZAZTESA-N 2 1 350.466 4.366 20 0 FIADMP CCC(CC)(C[NH2+][C@H](C)C1(OC)CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000453106048 1108174237 /nfs/dbraw/zinc/17/42/37/1108174237.db2.gz CTSIYJZKPKIUPO-RTBURBONSA-N 2 1 362.558 4.070 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)c1 ZINC000453112014 1108179460 /nfs/dbraw/zinc/17/94/60/1108179460.db2.gz SJNBCNKBWMXDFE-GOSISDBHSA-N 2 1 362.521 4.390 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453139569 1108213546 /nfs/dbraw/zinc/21/35/46/1108213546.db2.gz RSHKHQMYFOTSGS-TXTKFYIRSA-N 2 1 351.538 4.293 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453139569 1108213555 /nfs/dbraw/zinc/21/35/55/1108213555.db2.gz RSHKHQMYFOTSGS-TXTKFYIRSA-N 2 1 351.538 4.293 20 0 FIADMP Brc1ccc2c(NCC3CC[NH+](C4CC4)CC3)cc[nH+]c2c1 ZINC000444874191 1108251895 /nfs/dbraw/zinc/25/18/95/1108251895.db2.gz OODZNHKQAUAQAX-UHFFFAOYSA-N 2 1 360.299 4.284 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000531945044 1108423715 /nfs/dbraw/zinc/42/37/15/1108423715.db2.gz GRYPFSFUBXYHOL-SIKLNZKXSA-N 2 1 352.522 4.046 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000531945044 1108423725 /nfs/dbraw/zinc/42/37/25/1108423725.db2.gz GRYPFSFUBXYHOL-SIKLNZKXSA-N 2 1 352.522 4.046 20 0 FIADMP CC[NH+](CC)Cc1cc([C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)ccc1OC ZINC000453388512 1108474589 /nfs/dbraw/zinc/47/45/89/1108474589.db2.gz WOFFGNZOKRUJKD-GCJKJVERSA-N 2 1 360.542 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969860 1108477099 /nfs/dbraw/zinc/47/70/99/1108477099.db2.gz LUVOPMMAOJRKDJ-PQNGQFLHSA-N 3 1 371.613 4.040 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969860 1108477106 /nfs/dbraw/zinc/47/71/06/1108477106.db2.gz LUVOPMMAOJRKDJ-PQNGQFLHSA-N 2 1 371.613 4.040 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2nccn21 ZINC000453364792 1108477508 /nfs/dbraw/zinc/47/75/08/1108477508.db2.gz SKEAHDBXJJGQBO-BLCKVISQSA-N 2 1 364.537 4.169 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2nccn21 ZINC000453364792 1108477514 /nfs/dbraw/zinc/47/75/14/1108477514.db2.gz SKEAHDBXJJGQBO-BLCKVISQSA-N 2 1 364.537 4.169 20 0 FIADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453369538 1108487291 /nfs/dbraw/zinc/48/72/91/1108487291.db2.gz VAYDRHBHHXPDCE-ZYJGPIPZSA-N 2 1 368.496 4.333 20 0 FIADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375624 1108494038 /nfs/dbraw/zinc/49/40/38/1108494038.db2.gz XYUFOVXBZZLOOD-VISVQNLJSA-N 2 1 357.325 4.364 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247900 1108726021 /nfs/dbraw/zinc/72/60/21/1108726021.db2.gz SRQAOQBITSWWSP-JXALWOEJSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247900 1108726030 /nfs/dbraw/zinc/72/60/30/1108726030.db2.gz SRQAOQBITSWWSP-JXALWOEJSA-N 2 1 374.532 4.434 20 0 FIADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000532300623 1108756103 /nfs/dbraw/zinc/75/61/03/1108756103.db2.gz RTGRGLHDULMEJE-UHFFFAOYSA-N 2 1 350.506 4.326 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000524991505 1109230601 /nfs/dbraw/zinc/23/06/01/1109230601.db2.gz ZTPOTNYOBHDISW-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1ccccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000524991505 1109230603 /nfs/dbraw/zinc/23/06/03/1109230603.db2.gz ZTPOTNYOBHDISW-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP C[NH+](CCCCOc1ccccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000524991505 1109230604 /nfs/dbraw/zinc/23/06/04/1109230604.db2.gz ZTPOTNYOBHDISW-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269140 1109324504 /nfs/dbraw/zinc/32/45/04/1109324504.db2.gz AHTRYPOGKKQHBX-KRWDZBQOSA-N 2 1 372.896 4.023 20 0 FIADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525269140 1109324508 /nfs/dbraw/zinc/32/45/08/1109324508.db2.gz AHTRYPOGKKQHBX-KRWDZBQOSA-N 2 1 372.896 4.023 20 0 FIADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525269140 1109324515 /nfs/dbraw/zinc/32/45/15/1109324515.db2.gz AHTRYPOGKKQHBX-KRWDZBQOSA-N 2 1 372.896 4.023 20 0 FIADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525269140 1109324518 /nfs/dbraw/zinc/32/45/18/1109324518.db2.gz AHTRYPOGKKQHBX-KRWDZBQOSA-N 2 1 372.896 4.023 20 0 FIADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000446957986 1109398746 /nfs/dbraw/zinc/39/87/46/1109398746.db2.gz PDUJIZOKENWILG-UHFFFAOYSA-N 2 1 371.550 4.438 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697385 1109481507 /nfs/dbraw/zinc/48/15/07/1109481507.db2.gz RPVFLROBUOATGO-NQIIRXRSSA-N 2 1 354.519 4.197 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697385 1109481510 /nfs/dbraw/zinc/48/15/10/1109481510.db2.gz RPVFLROBUOATGO-NQIIRXRSSA-N 2 1 354.519 4.197 20 0 FIADMP CCC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000525954841 1109562876 /nfs/dbraw/zinc/56/28/76/1109562876.db2.gz OTVVBNIRHCGQAR-ZWKOTPCHSA-N 2 1 363.596 4.229 20 0 FIADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000447514072 1109566967 /nfs/dbraw/zinc/56/69/67/1109566967.db2.gz ATRXOZUNPWBVHB-RPWUZVMVSA-N 2 1 364.533 4.493 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccc4c(n2)CCCC4)C3)cc1 ZINC000447573869 1109578789 /nfs/dbraw/zinc/57/87/89/1109578789.db2.gz UEGMBTWYNFKWTN-WBDAEOGXSA-N 2 1 361.533 4.246 20 0 FIADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(n2)CCCC4)C3)cc1 ZINC000447573869 1109578791 /nfs/dbraw/zinc/57/87/91/1109578791.db2.gz UEGMBTWYNFKWTN-WBDAEOGXSA-N 2 1 361.533 4.246 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(n2)CCCC4)C3)cc1 ZINC000447573869 1109578793 /nfs/dbraw/zinc/57/87/93/1109578793.db2.gz UEGMBTWYNFKWTN-WBDAEOGXSA-N 2 1 361.533 4.246 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC001168092322 1109642529 /nfs/dbraw/zinc/64/25/29/1109642529.db2.gz GZGKFFZYAZKXGG-JFTIXFDTSA-N 2 1 364.533 4.202 20 0 FIADMP C[C@H](N[C@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197743 1109717805 /nfs/dbraw/zinc/71/78/05/1109717805.db2.gz ZSDIKLDKLJXOMM-CDXJDZJCSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527197743 1109717810 /nfs/dbraw/zinc/71/78/10/1109717810.db2.gz ZSDIKLDKLJXOMM-CDXJDZJCSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527197743 1109717815 /nfs/dbraw/zinc/71/78/15/1109717815.db2.gz ZSDIKLDKLJXOMM-CDXJDZJCSA-N 2 1 354.469 4.150 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4cc(F)c(Cl)cc43)CC2)nc(C)[nH+]1 ZINC000527870838 1109845009 /nfs/dbraw/zinc/84/50/09/1109845009.db2.gz OQYDTOKZCCYAKI-LJQANCHMSA-N 2 1 374.891 4.132 20 0 FIADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000449043900 1109966418 /nfs/dbraw/zinc/96/64/18/1109966418.db2.gz AJEDRZVTLKMUHV-TUACAJSNSA-N 2 1 364.533 4.346 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449081241 1109974902 /nfs/dbraw/zinc/97/49/02/1109974902.db2.gz DAQHGRLKLLLLDK-FCHUYYIVSA-N 3 1 371.613 4.326 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000449081241 1109974903 /nfs/dbraw/zinc/97/49/03/1109974903.db2.gz DAQHGRLKLLLLDK-FCHUYYIVSA-N 2 1 371.613 4.326 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449081241 1109974904 /nfs/dbraw/zinc/97/49/04/1109974904.db2.gz DAQHGRLKLLLLDK-FCHUYYIVSA-N 2 1 371.613 4.326 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000449083408 1109975403 /nfs/dbraw/zinc/97/54/03/1109975403.db2.gz UALXJZWLCPYCFU-QFIPXVFZSA-N 2 1 371.613 4.184 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449166297 1109990459 /nfs/dbraw/zinc/99/04/59/1109990459.db2.gz ZPAQKSGQPHXSNN-UHFFFAOYSA-N 2 1 373.298 4.072 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCC(OC4CCCC4)CC3)C2)cc1 ZINC000449295751 1110019899 /nfs/dbraw/zinc/01/98/99/1110019899.db2.gz VBAVDKNWZDGRMG-HVIUMASTSA-N 2 1 356.554 4.369 20 0 FIADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449377721 1110051554 /nfs/dbraw/zinc/05/15/54/1110051554.db2.gz BNGUGOBWBCGSJO-CJNGLKHVSA-N 2 1 355.404 4.189 20 0 FIADMP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414240 1110055819 /nfs/dbraw/zinc/05/58/19/1110055819.db2.gz LRRNHBRZZNUNIZ-IFMALSPDSA-N 2 1 356.554 4.036 20 0 FIADMP CC(C)c1nnc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000450494000 1110306272 /nfs/dbraw/zinc/30/62/72/1110306272.db2.gz IBGKSBKASOYFKN-INIZCTEOSA-N 2 1 350.576 4.138 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000538498324 1111160279 /nfs/dbraw/zinc/16/02/79/1111160279.db2.gz WKUNCNNHBHQQJH-NZQKXSOJSA-N 2 1 373.585 4.221 20 0 FIADMP Cc1cccc2ncc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n21 ZINC000538724279 1111263525 /nfs/dbraw/zinc/26/35/25/1111263525.db2.gz AWWDYJNQBPXPOE-SFHVURJKSA-N 2 1 354.542 4.119 20 0 FIADMP CC[N@@H+](Cc1ccc(OC)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538763200 1111290698 /nfs/dbraw/zinc/29/06/98/1111290698.db2.gz NCBMFFYHVAVEFL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@H+](Cc1ccc(OC)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538763200 1111290701 /nfs/dbraw/zinc/29/07/01/1111290701.db2.gz NCBMFFYHVAVEFL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538763200 1111290703 /nfs/dbraw/zinc/29/07/03/1111290703.db2.gz NCBMFFYHVAVEFL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538763200 1111290705 /nfs/dbraw/zinc/29/07/05/1111290705.db2.gz NCBMFFYHVAVEFL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP FC(F)Oc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000538799339 1111295472 /nfs/dbraw/zinc/29/54/72/1111295472.db2.gz ZXSBBEVLDQWTFO-PBHICJAKSA-N 2 1 370.871 4.390 20 0 FIADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000539068550 1111417497 /nfs/dbraw/zinc/41/74/97/1111417497.db2.gz UFERFJSMBDUAPK-MOXGXCLJSA-N 2 1 359.489 4.291 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000539071031 1111417962 /nfs/dbraw/zinc/41/79/62/1111417962.db2.gz SXYZSVOCLHALQU-SCLBCKFNSA-N 2 1 362.315 4.257 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@@H](C)C1 ZINC000539074632 1111419869 /nfs/dbraw/zinc/41/98/69/1111419869.db2.gz WHBDZRAYZFGESK-HNAYVOBHSA-N 2 1 362.489 4.107 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@@H](C)C1 ZINC000539074632 1111419874 /nfs/dbraw/zinc/41/98/74/1111419874.db2.gz WHBDZRAYZFGESK-HNAYVOBHSA-N 2 1 362.489 4.107 20 0 FIADMP CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000552034583 1111499981 /nfs/dbraw/zinc/49/99/81/1111499981.db2.gz HZZFACSQBFHYKG-SOAGJPPSSA-N 2 1 360.542 4.140 20 0 FIADMP CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000552034583 1111499984 /nfs/dbraw/zinc/49/99/84/1111499984.db2.gz HZZFACSQBFHYKG-SOAGJPPSSA-N 2 1 360.542 4.140 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1 ZINC000462117122 1111503399 /nfs/dbraw/zinc/50/33/99/1111503399.db2.gz RJLDTJVUBQECCP-UHFFFAOYSA-N 2 1 352.522 4.141 20 0 FIADMP CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552047834 1111556727 /nfs/dbraw/zinc/55/67/27/1111556727.db2.gz ZZWDWZFRVYJIAF-YPAWHYETSA-N 2 1 358.570 4.066 20 0 FIADMP FC(F)(F)Oc1cccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224315 1111624125 /nfs/dbraw/zinc/62/41/25/1111624125.db2.gz SPQWFENRFPKGPB-FZKQIMNGSA-N 2 1 354.416 4.110 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H]2CCC[C@H]21 ZINC000552259549 1111639054 /nfs/dbraw/zinc/63/90/54/1111639054.db2.gz KSQCGVLKMKLHLB-OKZBNKHCSA-N 2 1 361.942 4.426 20 0 FIADMP COCc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000552273934 1111654209 /nfs/dbraw/zinc/65/42/09/1111654209.db2.gz XBQZPGQAFRHPRT-UHFFFAOYSA-N 2 1 364.533 4.321 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552277188 1111656055 /nfs/dbraw/zinc/65/60/55/1111656055.db2.gz QPUTULRWORPCRM-LNRXMEIDSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000552281686 1111658718 /nfs/dbraw/zinc/65/87/18/1111658718.db2.gz GLMOTNNRPVZVEJ-XGXHKWSGSA-N 2 1 354.460 4.465 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479074949 1111944601 /nfs/dbraw/zinc/94/46/01/1111944601.db2.gz HSTHTNLCSMYBLC-SCLBCKFNSA-N 2 1 362.315 4.257 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358113 1111998029 /nfs/dbraw/zinc/99/80/29/1111998029.db2.gz ITJOBOOUQXSMCA-CXAGYDPISA-N 2 1 351.332 4.103 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000479422338 1112015349 /nfs/dbraw/zinc/01/53/49/1112015349.db2.gz LITRPWZHVNTOPO-GOSISDBHSA-N 2 1 353.510 4.111 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466325 1112041411 /nfs/dbraw/zinc/04/14/11/1112041411.db2.gz RNJXXHOVNAUDEW-RBBKRZOGSA-N 2 1 350.506 4.320 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1OC(F)F ZINC000479920143 1112199378 /nfs/dbraw/zinc/19/93/78/1112199378.db2.gz ABTORPBBBRYAHR-CABCVRRESA-N 2 1 356.457 4.212 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1OC(F)F ZINC000479920143 1112199380 /nfs/dbraw/zinc/19/93/80/1112199380.db2.gz ABTORPBBBRYAHR-CABCVRRESA-N 2 1 356.457 4.212 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000479929840 1112201714 /nfs/dbraw/zinc/20/17/14/1112201714.db2.gz WPXYMLWJFSRZPJ-IBGZPJMESA-N 2 1 364.533 4.248 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554373004 1112324043 /nfs/dbraw/zinc/32/40/43/1112324043.db2.gz BNJKMQALRWFQCG-IBOUEWTGSA-N 2 1 354.469 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554373004 1112324045 /nfs/dbraw/zinc/32/40/45/1112324045.db2.gz BNJKMQALRWFQCG-IBOUEWTGSA-N 2 1 354.469 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554373009 1112324200 /nfs/dbraw/zinc/32/42/00/1112324200.db2.gz BNJKMQALRWFQCG-PAODICLVSA-N 2 1 354.469 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554373009 1112324206 /nfs/dbraw/zinc/32/42/06/1112324206.db2.gz BNJKMQALRWFQCG-PAODICLVSA-N 2 1 354.469 4.148 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCC(F)(F)F)CC2)oc1C ZINC000480251443 1112350782 /nfs/dbraw/zinc/35/07/82/1112350782.db2.gz CCDVZSVPAOPYQI-ZDUSSCGKSA-N 2 1 361.452 4.214 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2nccn2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000480306441 1112379722 /nfs/dbraw/zinc/37/97/22/1112379722.db2.gz HYIYWLDHEZHDID-RBBKRZOGSA-N 2 1 374.532 4.263 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664289 1112395291 /nfs/dbraw/zinc/39/52/91/1112395291.db2.gz HPQJNSKXAXOQOY-VQIMIIECSA-N 2 1 357.473 4.318 20 0 FIADMP COCc1csc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000667688632 1112469837 /nfs/dbraw/zinc/46/98/37/1112469837.db2.gz YMALSGIGCUXFFT-UHFFFAOYSA-N 2 1 370.562 4.383 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000480613861 1112501555 /nfs/dbraw/zinc/50/15/55/1112501555.db2.gz TZDRISUJPLPEOY-HSALFYBXSA-N 2 1 371.569 4.222 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000480617503 1112511212 /nfs/dbraw/zinc/51/12/12/1112511212.db2.gz RJILBOWXMQLJBG-MOPGFXCFSA-N 2 1 374.573 4.379 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841005 1112517758 /nfs/dbraw/zinc/51/77/58/1112517758.db2.gz LYNZQVRKADDURQ-QFIPXVFZSA-N 2 1 365.521 4.035 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841005 1112517761 /nfs/dbraw/zinc/51/77/61/1112517761.db2.gz LYNZQVRKADDURQ-QFIPXVFZSA-N 2 1 365.521 4.035 20 0 FIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000554879020 1112549864 /nfs/dbraw/zinc/54/98/64/1112549864.db2.gz KKBAFBGHRFXDEQ-FQEVSTJZSA-N 2 1 353.485 4.051 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)s1 ZINC000480733483 1112569324 /nfs/dbraw/zinc/56/93/24/1112569324.db2.gz UKFPCSUFZADXLO-GOSISDBHSA-N 2 1 371.594 4.299 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc(F)cc1 ZINC000480733666 1112569460 /nfs/dbraw/zinc/56/94/60/1112569460.db2.gz USLFSESKXIZJJY-HSZRJFAPSA-N 2 1 369.528 4.204 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000480738189 1112571639 /nfs/dbraw/zinc/57/16/39/1112571639.db2.gz QRKXIJWFDRQDAO-SFHVURJKSA-N 2 1 371.594 4.353 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000480751128 1112577985 /nfs/dbraw/zinc/57/79/85/1112577985.db2.gz UYKMPLCWHJMWAH-JCTONOIOSA-N 2 1 363.549 4.013 20 0 FIADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000480773861 1112598658 /nfs/dbraw/zinc/59/86/58/1112598658.db2.gz UTURAIFXLMRINR-MRXNPFEDSA-N 2 1 361.555 4.046 20 0 FIADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000480773861 1112598663 /nfs/dbraw/zinc/59/86/63/1112598663.db2.gz UTURAIFXLMRINR-MRXNPFEDSA-N 2 1 361.555 4.046 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994475 1112605423 /nfs/dbraw/zinc/60/54/23/1112605423.db2.gz QAOJRMNJWQZHRA-UWJYYQICSA-N 2 1 352.526 4.046 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994475 1112605426 /nfs/dbraw/zinc/60/54/26/1112605426.db2.gz QAOJRMNJWQZHRA-UWJYYQICSA-N 2 1 352.526 4.046 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000481313118 1112897096 /nfs/dbraw/zinc/89/70/96/1112897096.db2.gz JDLCVSDMDGHJDH-SIKLNZKXSA-N 2 1 374.569 4.235 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000481313118 1112897110 /nfs/dbraw/zinc/89/71/10/1112897110.db2.gz JDLCVSDMDGHJDH-SIKLNZKXSA-N 2 1 374.569 4.235 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333331 1112903871 /nfs/dbraw/zinc/90/38/71/1112903871.db2.gz SKHUQKFBBCQUAQ-PKOBYXMFSA-N 2 1 356.485 4.397 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000481553213 1112975922 /nfs/dbraw/zinc/97/59/22/1112975922.db2.gz RPTNXQZUTJNEJV-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000481553213 1112975923 /nfs/dbraw/zinc/97/59/23/1112975923.db2.gz RPTNXQZUTJNEJV-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C1 ZINC000899877869 1113041096 /nfs/dbraw/zinc/04/10/96/1113041096.db2.gz KGCNLWXUFBEUKJ-SUMWQHHRSA-N 2 1 365.399 4.054 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556050759 1113126574 /nfs/dbraw/zinc/12/65/74/1113126574.db2.gz KKPTVVSFSHBPND-WQTXXOFMSA-N 2 1 351.494 4.131 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556050759 1113126576 /nfs/dbraw/zinc/12/65/76/1113126576.db2.gz KKPTVVSFSHBPND-WQTXXOFMSA-N 2 1 351.494 4.131 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000556051125 1113127213 /nfs/dbraw/zinc/12/72/13/1113127213.db2.gz BEKJHPRSKJUDGO-UYAOXDASSA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000556051125 1113127216 /nfs/dbraw/zinc/12/72/16/1113127216.db2.gz BEKJHPRSKJUDGO-UYAOXDASSA-N 2 1 360.448 4.256 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987859 1113145536 /nfs/dbraw/zinc/14/55/36/1113145536.db2.gz CQYZKBCDNODUCT-QFBILLFUSA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987859 1113145539 /nfs/dbraw/zinc/14/55/39/1113145539.db2.gz CQYZKBCDNODUCT-QFBILLFUSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987859 1113145541 /nfs/dbraw/zinc/14/55/41/1113145541.db2.gz CQYZKBCDNODUCT-QFBILLFUSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987859 1113145544 /nfs/dbraw/zinc/14/55/44/1113145544.db2.gz CQYZKBCDNODUCT-QFBILLFUSA-N 2 1 370.493 4.038 20 0 FIADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000162898990 1113172742 /nfs/dbraw/zinc/17/27/42/1113172742.db2.gz CKQIQGIQQTYJOD-UHFFFAOYSA-N 3 1 355.570 4.169 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc3ccccc32)[C@H](C)C1 ZINC000482137656 1113179673 /nfs/dbraw/zinc/17/96/73/1113179673.db2.gz MZJZHNIEVFQSDI-HYBUGGRVSA-N 2 1 368.565 4.499 20 0 FIADMP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000482258553 1113208533 /nfs/dbraw/zinc/20/85/33/1113208533.db2.gz FMWUOGBUBKYXTQ-OALUTQOASA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000482258554 1113208662 /nfs/dbraw/zinc/20/86/62/1113208662.db2.gz FMWUOGBUBKYXTQ-RTBURBONSA-N 2 1 374.569 4.091 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441437 1113257513 /nfs/dbraw/zinc/25/75/13/1113257513.db2.gz VBGJVNANOBGTBG-UNMCSNQZSA-N 2 1 374.532 4.088 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000482457206 1113261766 /nfs/dbraw/zinc/26/17/66/1113261766.db2.gz JRWWFWPXYLPCKV-TZYHBYERSA-N 2 1 352.522 4.219 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000482457206 1113261769 /nfs/dbraw/zinc/26/17/69/1113261769.db2.gz JRWWFWPXYLPCKV-TZYHBYERSA-N 2 1 352.522 4.219 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000482454236 1113265747 /nfs/dbraw/zinc/26/57/47/1113265747.db2.gz WZHJONFODZVXLX-FPOVZHCZSA-N 2 1 352.547 4.378 20 0 FIADMP CCC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1 ZINC000482561532 1113296028 /nfs/dbraw/zinc/29/60/28/1113296028.db2.gz BNOQGUQAZFUTGI-LJQANCHMSA-N 2 1 350.934 4.416 20 0 FIADMP c1[nH+]c(C2CC[NH+](Cc3cc4ccncc4s3)CC2)n2c1CCCC2 ZINC000668084692 1113305607 /nfs/dbraw/zinc/30/56/07/1113305607.db2.gz SPGPTQCVGZXMFB-UHFFFAOYSA-N 2 1 352.507 4.209 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000568123960 1113400041 /nfs/dbraw/zinc/40/00/41/1113400041.db2.gz IDAHGVDQMMZGNR-GOSISDBHSA-N 2 1 362.315 4.401 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000483128738 1113448927 /nfs/dbraw/zinc/44/89/27/1113448927.db2.gz QGUJKLAOTVHGTK-SFLYRZDNSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000483128738 1113448930 /nfs/dbraw/zinc/44/89/30/1113448930.db2.gz QGUJKLAOTVHGTK-SFLYRZDNSA-N 2 1 363.549 4.156 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)[C@H](C)C1 ZINC000483139769 1113451718 /nfs/dbraw/zinc/45/17/18/1113451718.db2.gz YNDUMKJQIQHVOC-FZCLSBEQSA-N 2 1 368.612 4.400 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)[C@H](C)C1 ZINC000483139769 1113451721 /nfs/dbraw/zinc/45/17/21/1113451721.db2.gz YNDUMKJQIQHVOC-FZCLSBEQSA-N 2 1 368.612 4.400 20 0 FIADMP Brc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000483258637 1113474902 /nfs/dbraw/zinc/47/49/02/1113474902.db2.gz LEUKWTPZIWGGDG-UHFFFAOYSA-N 2 1 355.320 4.130 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486381624 1113557096 /nfs/dbraw/zinc/55/70/96/1113557096.db2.gz YFHZXQZYVIZTLJ-VQIMIIECSA-N 2 1 355.551 4.411 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486381624 1113557097 /nfs/dbraw/zinc/55/70/97/1113557097.db2.gz YFHZXQZYVIZTLJ-VQIMIIECSA-N 2 1 355.551 4.411 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000486532977 1113589395 /nfs/dbraw/zinc/58/93/95/1113589395.db2.gz GZAUMMNTMSSFNW-MJGOQNOKSA-N 2 1 357.567 4.342 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000486532977 1113589399 /nfs/dbraw/zinc/58/93/99/1113589399.db2.gz GZAUMMNTMSSFNW-MJGOQNOKSA-N 2 1 357.567 4.342 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486704307 1113626174 /nfs/dbraw/zinc/62/61/74/1113626174.db2.gz AJVAWRWIFPKQFK-UHFFFAOYSA-N 2 1 351.469 4.370 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708707 1113627329 /nfs/dbraw/zinc/62/73/29/1113627329.db2.gz KDCLBLUVLKJJPN-VQIMIIECSA-N 2 1 351.469 4.307 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000488107720 1113855826 /nfs/dbraw/zinc/85/58/26/1113855826.db2.gz GZIBMBSDYPZAJW-CIQXWFTPSA-N 2 1 354.538 4.108 20 0 FIADMP COc1ccccc1-c1nc(C[N@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000489883020 1114182110 /nfs/dbraw/zinc/18/21/10/1114182110.db2.gz JOHREJFWPZYENM-UHFFFAOYSA-N 2 1 359.539 4.160 20 0 FIADMP COc1ccccc1-c1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000489883020 1114182111 /nfs/dbraw/zinc/18/21/11/1114182111.db2.gz JOHREJFWPZYENM-UHFFFAOYSA-N 2 1 359.539 4.160 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019705 1114361806 /nfs/dbraw/zinc/36/18/06/1114361806.db2.gz LGESSCDMXFYBPT-RDGATRHJSA-N 2 1 371.528 4.325 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](CN[C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019701 1114362026 /nfs/dbraw/zinc/36/20/26/1114362026.db2.gz LGESSCDMXFYBPT-DHLKQENFSA-N 2 1 371.528 4.325 20 0 FIADMP c1ccc(CCOCCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491059834 1114369020 /nfs/dbraw/zinc/36/90/20/1114369020.db2.gz JLTQSXRSUBAZCM-HSZRJFAPSA-N 2 1 358.570 4.224 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1scnc1C1CC1 ZINC000509453535 1114526584 /nfs/dbraw/zinc/52/65/84/1114526584.db2.gz YYTHAOKKYSXMFW-LJQANCHMSA-N 2 1 355.551 4.411 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000590612029 1114952867 /nfs/dbraw/zinc/95/28/67/1114952867.db2.gz UZZLBNNHPILMQW-VXKWHMMOSA-N 2 1 359.517 4.406 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000590612030 1114952895 /nfs/dbraw/zinc/95/28/95/1114952895.db2.gz UZZLBNNHPILMQW-YADHBBJMSA-N 2 1 359.517 4.406 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001168400290 1115037202 /nfs/dbraw/zinc/03/72/02/1115037202.db2.gz LOBYWYBKIJHKFM-GNLZIIPMSA-N 2 1 364.508 4.183 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168400291 1115037496 /nfs/dbraw/zinc/03/74/96/1115037496.db2.gz LOBYWYBKIJHKFM-IQFVJIFQSA-N 2 1 364.508 4.183 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001168400292 1115037618 /nfs/dbraw/zinc/03/76/18/1115037618.db2.gz LOBYWYBKIJHKFM-TWDDROGUSA-N 2 1 364.508 4.183 20 0 FIADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000573366142 1115093951 /nfs/dbraw/zinc/09/39/51/1115093951.db2.gz FXRXYYGBBHQEFO-TWEIKEKHSA-N 2 1 370.487 4.365 20 0 FIADMP Fc1ccc(/C=C\C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000573486666 1115130735 /nfs/dbraw/zinc/13/07/35/1115130735.db2.gz MKAHYGQUKGHQGH-ARJAWSKDSA-N 2 1 357.448 4.390 20 0 FIADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651935 1115161765 /nfs/dbraw/zinc/16/17/65/1115161765.db2.gz QUWVXTYCICXBIE-ROUUACIJSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651935 1115161770 /nfs/dbraw/zinc/16/17/70/1115161770.db2.gz QUWVXTYCICXBIE-ROUUACIJSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651935 1115161774 /nfs/dbraw/zinc/16/17/74/1115161774.db2.gz QUWVXTYCICXBIE-ROUUACIJSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651935 1115161779 /nfs/dbraw/zinc/16/17/79/1115161779.db2.gz QUWVXTYCICXBIE-ROUUACIJSA-N 2 1 358.576 4.424 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000574534565 1115414067 /nfs/dbraw/zinc/41/40/67/1115414067.db2.gz FGKRBJKSOLPSJC-OPVJXMOQSA-N 2 1 362.533 4.016 20 0 FIADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000599333840 1115808515 /nfs/dbraw/zinc/80/85/15/1115808515.db2.gz ZYJQRMNMBAWOGS-LJQANCHMSA-N 2 1 373.585 4.159 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061487 1116079712 /nfs/dbraw/zinc/07/97/12/1116079712.db2.gz FMQIQWJMYVKTHX-VQIMIIECSA-N 2 1 358.913 4.491 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061485 1116079974 /nfs/dbraw/zinc/07/99/74/1116079974.db2.gz FMQIQWJMYVKTHX-QFBILLFUSA-N 2 1 358.913 4.491 20 0 FIADMP C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000456291084 1116174723 /nfs/dbraw/zinc/17/47/23/1116174723.db2.gz YRRDKOKWAJUVCL-VQTJNVASSA-N 2 1 371.912 4.130 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000534956142 1116255943 /nfs/dbraw/zinc/25/59/43/1116255943.db2.gz WGYXBKXROICEAZ-HXUWFJFHSA-N 2 1 351.498 4.349 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000534956142 1116255945 /nfs/dbraw/zinc/25/59/45/1116255945.db2.gz WGYXBKXROICEAZ-HXUWFJFHSA-N 2 1 351.498 4.349 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509439 1116313904 /nfs/dbraw/zinc/31/39/04/1116313904.db2.gz SHXQKIBYBULFRR-BZNIZROVSA-N 2 1 357.723 4.021 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000539546089 1116341683 /nfs/dbraw/zinc/34/16/83/1116341683.db2.gz DWHAYVHATXIVTC-UHFFFAOYSA-N 2 1 361.283 4.061 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000539821446 1116385328 /nfs/dbraw/zinc/38/53/28/1116385328.db2.gz UKZVOTMMSLJZBD-VKJFTORMSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000539821446 1116385330 /nfs/dbraw/zinc/38/53/30/1116385330.db2.gz UKZVOTMMSLJZBD-VKJFTORMSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000539821446 1116385333 /nfs/dbraw/zinc/38/53/33/1116385333.db2.gz UKZVOTMMSLJZBD-VKJFTORMSA-N 2 1 353.348 4.357 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849414 1116390498 /nfs/dbraw/zinc/39/04/98/1116390498.db2.gz DBAULIWXIDUBJB-LJQANCHMSA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849414 1116390501 /nfs/dbraw/zinc/39/05/01/1116390501.db2.gz DBAULIWXIDUBJB-LJQANCHMSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849414 1116390503 /nfs/dbraw/zinc/39/05/03/1116390503.db2.gz DBAULIWXIDUBJB-LJQANCHMSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849414 1116390505 /nfs/dbraw/zinc/39/05/05/1116390505.db2.gz DBAULIWXIDUBJB-LJQANCHMSA-N 2 1 356.485 4.178 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895300 1117739008 /nfs/dbraw/zinc/73/90/08/1117739008.db2.gz VCIHQKKUWRJLFE-JJXUHFIVSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895300 1117739011 /nfs/dbraw/zinc/73/90/11/1117739011.db2.gz VCIHQKKUWRJLFE-JJXUHFIVSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895305 1117739232 /nfs/dbraw/zinc/73/92/32/1117739232.db2.gz VCIHQKKUWRJLFE-MFMILTCTSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895305 1117739233 /nfs/dbraw/zinc/73/92/33/1117739233.db2.gz VCIHQKKUWRJLFE-MFMILTCTSA-N 2 1 374.912 4.284 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000462788552 1117772625 /nfs/dbraw/zinc/77/26/25/1117772625.db2.gz OYBSJWCGVHJTPV-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000462802750 1117785829 /nfs/dbraw/zinc/78/58/29/1117785829.db2.gz ADSQYGJYRYGIMR-IKICRFKJSA-N 2 1 351.332 4.015 20 0 FIADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000462804596 1117787034 /nfs/dbraw/zinc/78/70/34/1117787034.db2.gz DTQWPDGFNANMAF-MOPGFXCFSA-N 2 1 371.569 4.051 20 0 FIADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1)CC1CC1 ZINC000540050510 1117841869 /nfs/dbraw/zinc/84/18/69/1117841869.db2.gz SZCTWYGAWUFXCC-MRXNPFEDSA-N 2 1 362.562 4.262 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1)CC1CC1 ZINC000540050510 1117841877 /nfs/dbraw/zinc/84/18/77/1117841877.db2.gz SZCTWYGAWUFXCC-MRXNPFEDSA-N 2 1 362.562 4.262 20 0 FIADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896314 1117843993 /nfs/dbraw/zinc/84/39/93/1117843993.db2.gz NFOFTYTZCXRCME-OXQOHEQNSA-N 2 1 356.535 4.333 20 0 FIADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896314 1117844001 /nfs/dbraw/zinc/84/40/01/1117844001.db2.gz NFOFTYTZCXRCME-OXQOHEQNSA-N 2 1 356.535 4.333 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000540067232 1117853109 /nfs/dbraw/zinc/85/31/09/1117853109.db2.gz RFOJLOTWYYOIQR-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000540067232 1117853113 /nfs/dbraw/zinc/85/31/13/1117853113.db2.gz RFOJLOTWYYOIQR-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1)CC(C)C ZINC000540197872 1117938161 /nfs/dbraw/zinc/93/81/61/1117938161.db2.gz TWZFXMRSSKYBRA-UHFFFAOYSA-N 2 1 373.585 4.322 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1)CC(C)C ZINC000540197872 1117938165 /nfs/dbraw/zinc/93/81/65/1117938165.db2.gz TWZFXMRSSKYBRA-UHFFFAOYSA-N 2 1 373.585 4.322 20 0 FIADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076341 1117958950 /nfs/dbraw/zinc/95/89/50/1117958950.db2.gz XHJIVYCBFUPMII-TZIWHRDSSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076341 1117958951 /nfs/dbraw/zinc/95/89/51/1117958951.db2.gz XHJIVYCBFUPMII-TZIWHRDSSA-N 2 1 368.521 4.107 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095693 1117964153 /nfs/dbraw/zinc/96/41/53/1117964153.db2.gz FRYSAOOWNQBWKB-HXUWFJFHSA-N 2 1 356.558 4.179 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095693 1117964154 /nfs/dbraw/zinc/96/41/54/1117964154.db2.gz FRYSAOOWNQBWKB-HXUWFJFHSA-N 2 1 356.558 4.179 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095693 1117964155 /nfs/dbraw/zinc/96/41/55/1117964155.db2.gz FRYSAOOWNQBWKB-HXUWFJFHSA-N 2 1 356.558 4.179 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463114588 1117970864 /nfs/dbraw/zinc/97/08/64/1117970864.db2.gz GELSWFKWTCKXFB-PZJWPPBQSA-N 2 1 364.533 4.370 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463114588 1117970867 /nfs/dbraw/zinc/97/08/67/1117970867.db2.gz GELSWFKWTCKXFB-PZJWPPBQSA-N 2 1 364.533 4.370 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000540302768 1117977245 /nfs/dbraw/zinc/97/72/45/1117977245.db2.gz UCDKWQHFFJNOTG-GOSISDBHSA-N 2 1 359.341 4.391 20 0 FIADMP Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000540286848 1117977268 /nfs/dbraw/zinc/97/72/68/1117977268.db2.gz SEHKEMZDSKTCJN-ZDUSSCGKSA-N 2 1 358.392 4.252 20 0 FIADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463121021 1117979147 /nfs/dbraw/zinc/97/91/47/1117979147.db2.gz XZMQOIBASYDNIH-TZIWHRDSSA-N 2 1 368.521 4.107 20 0 FIADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463121021 1117979148 /nfs/dbraw/zinc/97/91/48/1117979148.db2.gz XZMQOIBASYDNIH-TZIWHRDSSA-N 2 1 368.521 4.107 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136517 1117984725 /nfs/dbraw/zinc/98/47/25/1117984725.db2.gz KKLSOFYAZZKSBP-KHUIQGCPSA-N 2 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136517 1117984728 /nfs/dbraw/zinc/98/47/28/1117984728.db2.gz KKLSOFYAZZKSBP-KHUIQGCPSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136517 1117984730 /nfs/dbraw/zinc/98/47/30/1117984730.db2.gz KKLSOFYAZZKSBP-KHUIQGCPSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136517 1117984733 /nfs/dbraw/zinc/98/47/33/1117984733.db2.gz KKLSOFYAZZKSBP-KHUIQGCPSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136517 1117984735 /nfs/dbraw/zinc/98/47/35/1117984735.db2.gz KKLSOFYAZZKSBP-KHUIQGCPSA-N 3 1 371.613 4.387 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137207 1117986046 /nfs/dbraw/zinc/98/60/46/1117986046.db2.gz JHCMIMMOQCVWNX-XXBNENTESA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137207 1117986050 /nfs/dbraw/zinc/98/60/50/1117986050.db2.gz JHCMIMMOQCVWNX-XXBNENTESA-N 2 1 352.522 4.366 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140392 1117987438 /nfs/dbraw/zinc/98/74/38/1117987438.db2.gz GYDWOYMLYLLRTL-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140392 1117987440 /nfs/dbraw/zinc/98/74/40/1117987440.db2.gz GYDWOYMLYLLRTL-GBXCKJPGSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463148979 1117991639 /nfs/dbraw/zinc/99/16/39/1117991639.db2.gz UAHASDZGZFBISH-AKIFATBCSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463148979 1117991643 /nfs/dbraw/zinc/99/16/43/1117991643.db2.gz UAHASDZGZFBISH-AKIFATBCSA-N 2 1 363.549 4.156 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1)CC1CC1 ZINC000463155633 1117995258 /nfs/dbraw/zinc/99/52/58/1117995258.db2.gz JINPSQVOOGSPLY-UHFFFAOYSA-N 2 1 369.475 4.434 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1)CC1CC1 ZINC000463155633 1117995260 /nfs/dbraw/zinc/99/52/60/1117995260.db2.gz JINPSQVOOGSPLY-UHFFFAOYSA-N 2 1 369.475 4.434 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Oc1ccccc1F ZINC000463194372 1118009750 /nfs/dbraw/zinc/00/97/50/1118009750.db2.gz YRHAITFFVWBZAY-GGPKGHCWSA-N 2 1 356.485 4.236 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Oc1ccccc1F ZINC000463194372 1118009755 /nfs/dbraw/zinc/00/97/55/1118009755.db2.gz YRHAITFFVWBZAY-GGPKGHCWSA-N 2 1 356.485 4.236 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208939 1118023243 /nfs/dbraw/zinc/02/32/43/1118023243.db2.gz ZSWMGKOWXJBBCI-KPLVRAHFSA-N 2 1 350.506 4.325 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208939 1118023251 /nfs/dbraw/zinc/02/32/51/1118023251.db2.gz ZSWMGKOWXJBBCI-KPLVRAHFSA-N 2 1 350.506 4.325 20 0 FIADMP CCCNc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463234556 1118042280 /nfs/dbraw/zinc/04/22/80/1118042280.db2.gz CXMLCHCBPKSULQ-UHFFFAOYSA-N 2 1 351.538 4.305 20 0 FIADMP CCCNc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463238939 1118047727 /nfs/dbraw/zinc/04/77/27/1118047727.db2.gz YWDKXCHICRIWIV-UHFFFAOYSA-N 2 1 369.528 4.444 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C2CCCC2)o1 ZINC000540493145 1118090607 /nfs/dbraw/zinc/09/06/07/1118090607.db2.gz WHMQDTWVSSJBNL-KCZVDYSFSA-N 2 1 360.542 4.177 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)[C@@H](C)C1 ZINC000540551852 1118122806 /nfs/dbraw/zinc/12/28/06/1118122806.db2.gz VORAGIPJXIHYBE-UGKGYDQZSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@@H](C)C1 ZINC000540551852 1118122809 /nfs/dbraw/zinc/12/28/09/1118122809.db2.gz VORAGIPJXIHYBE-UGKGYDQZSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@@H](C)C1 ZINC000540551852 1118122811 /nfs/dbraw/zinc/12/28/11/1118122811.db2.gz VORAGIPJXIHYBE-UGKGYDQZSA-N 2 1 374.569 4.044 20 0 FIADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000540607341 1118147422 /nfs/dbraw/zinc/14/74/22/1118147422.db2.gz NPOKPLLUKIKGLJ-DQLDELGASA-N 2 1 370.537 4.332 20 0 FIADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)cc2)c1 ZINC000540608808 1118148591 /nfs/dbraw/zinc/14/85/91/1118148591.db2.gz UHNUNVFFDYEIOP-IBGZPJMESA-N 2 1 350.506 4.487 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000540708156 1118195734 /nfs/dbraw/zinc/19/57/34/1118195734.db2.gz MSJJAKRYPUVTDX-UNMCSNQZSA-N 2 1 356.510 4.205 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540748026 1118231803 /nfs/dbraw/zinc/23/18/03/1118231803.db2.gz NWCVFWRBRLCMEX-AUSIDOKSSA-N 2 1 351.538 4.379 20 0 FIADMP CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540992651 1118341906 /nfs/dbraw/zinc/34/19/06/1118341906.db2.gz YIULYTOEUVHGRV-XLIONFOSSA-N 2 1 370.562 4.216 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000464065593 1118424986 /nfs/dbraw/zinc/42/49/86/1118424986.db2.gz GDFYCGSSDYJODY-GUDVDZBRSA-N 2 1 357.473 4.005 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000464067993 1118425879 /nfs/dbraw/zinc/42/58/79/1118425879.db2.gz LSBNHTVPHKMKMJ-ZVXPMLRVSA-N 2 1 356.554 4.397 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000541281475 1118462287 /nfs/dbraw/zinc/46/22/87/1118462287.db2.gz HUCZHWNKDOUKRQ-MAUKXSAKSA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000541281475 1118462288 /nfs/dbraw/zinc/46/22/88/1118462288.db2.gz HUCZHWNKDOUKRQ-MAUKXSAKSA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000541281475 1118462291 /nfs/dbraw/zinc/46/22/91/1118462291.db2.gz HUCZHWNKDOUKRQ-MAUKXSAKSA-N 2 1 353.348 4.044 20 0 FIADMP C[C@@H](CC[NH2+]Cc1ccccc1OCc1ccncc1)[NH+]1CCCCC1 ZINC000541370783 1118488028 /nfs/dbraw/zinc/48/80/28/1118488028.db2.gz LVTDMSQRKQRHGI-IBGZPJMESA-N 2 1 353.510 4.015 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000541534449 1118552707 /nfs/dbraw/zinc/55/27/07/1118552707.db2.gz QGPDSSHRIFDJQD-MAUKXSAKSA-N 2 1 350.441 4.093 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000541558830 1118554986 /nfs/dbraw/zinc/55/49/86/1118554986.db2.gz UDCFOWWMQISFTI-NQIIRXRSSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000541558830 1118554987 /nfs/dbraw/zinc/55/49/87/1118554987.db2.gz UDCFOWWMQISFTI-NQIIRXRSSA-N 2 1 355.501 4.128 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168439308 1118689183 /nfs/dbraw/zinc/68/91/83/1118689183.db2.gz SIOWNZKDICUELZ-QHCPKHFHSA-N 2 1 352.497 4.279 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000541914740 1118699225 /nfs/dbraw/zinc/69/92/25/1118699225.db2.gz IXBJQEQHXFUOIN-YRNRMSPPSA-N 2 1 354.485 4.141 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792853 1118700505 /nfs/dbraw/zinc/70/05/05/1118700505.db2.gz YORSMRUPOPWKMY-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792853 1118700509 /nfs/dbraw/zinc/70/05/09/1118700509.db2.gz YORSMRUPOPWKMY-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792853 1118700514 /nfs/dbraw/zinc/70/05/14/1118700514.db2.gz YORSMRUPOPWKMY-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000464792853 1118700518 /nfs/dbraw/zinc/70/05/18/1118700518.db2.gz YORSMRUPOPWKMY-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000541955747 1118720744 /nfs/dbraw/zinc/72/07/44/1118720744.db2.gz RNFIGRVTSFXXPA-ROUUACIJSA-N 2 1 370.541 4.162 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(SC)c(OC)c2)CC1 ZINC000303447914 1118940442 /nfs/dbraw/zinc/94/04/42/1118940442.db2.gz ZWHDLZJDYCGGCJ-UHFFFAOYSA-N 2 1 350.572 4.361 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000173299819 1119031012 /nfs/dbraw/zinc/03/10/12/1119031012.db2.gz BLRYOMQKENAEKZ-OAQYLSRUSA-N 2 1 358.913 4.413 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000174348258 1119113044 /nfs/dbraw/zinc/11/30/44/1119113044.db2.gz QYJCQASGUVFSIU-UHFFFAOYSA-N 2 1 368.525 4.411 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000542465094 1119287898 /nfs/dbraw/zinc/28/78/98/1119287898.db2.gz SRAQIXGOTTZZLL-BTYIYWSLSA-N 2 1 350.441 4.298 20 0 FIADMP C[C@@H](Nc1cc[nH+]cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309859860 1119303354 /nfs/dbraw/zinc/30/33/54/1119303354.db2.gz MVFDYFHZQRQSNS-ZBFHGGJFSA-N 2 1 360.299 4.167 20 0 FIADMP C[C@@H](Nc1cc[nH+]cc1Br)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309859860 1119303359 /nfs/dbraw/zinc/30/33/59/1119303359.db2.gz MVFDYFHZQRQSNS-ZBFHGGJFSA-N 2 1 360.299 4.167 20 0 FIADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000177969358 1119363160 /nfs/dbraw/zinc/36/31/60/1119363160.db2.gz NFHKNBBMGLMTMT-LJQANCHMSA-N 2 1 369.578 4.380 20 0 FIADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000178117210 1119372291 /nfs/dbraw/zinc/37/22/91/1119372291.db2.gz IVXNCBWEANWBPH-KSZLIROESA-N 2 1 354.542 4.057 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000311523624 1119378634 /nfs/dbraw/zinc/37/86/34/1119378634.db2.gz PVANYEVAEPVTDF-SELNLUPBSA-N 2 1 352.522 4.126 20 0 FIADMP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311704807 1119385423 /nfs/dbraw/zinc/38/54/23/1119385423.db2.gz VAQGWMPFZFZQKZ-KNQAVFIVSA-N 2 1 352.522 4.474 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178414343 1119388946 /nfs/dbraw/zinc/38/89/46/1119388946.db2.gz LQYOJUDXKHEQSE-GFCCVEGCSA-N 2 1 364.383 4.026 20 0 FIADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892243 1119393586 /nfs/dbraw/zinc/39/35/86/1119393586.db2.gz YPKVVOBZLJVWSK-FGZHOGPDSA-N 2 1 356.554 4.228 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898526 1119507880 /nfs/dbraw/zinc/50/78/80/1119507880.db2.gz XAKLFNYIGCCHGJ-KNQAVFIVSA-N 2 1 372.940 4.182 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898526 1119507883 /nfs/dbraw/zinc/50/78/83/1119507883.db2.gz XAKLFNYIGCCHGJ-KNQAVFIVSA-N 2 1 372.940 4.182 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000493936181 1119511905 /nfs/dbraw/zinc/51/19/05/1119511905.db2.gz KCYCVXLWLHPGPU-OPYAIIAOSA-N 2 1 358.551 4.326 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000493936181 1119511912 /nfs/dbraw/zinc/51/19/12/1119511912.db2.gz KCYCVXLWLHPGPU-OPYAIIAOSA-N 2 1 358.551 4.326 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@H](C)C1 ZINC000542470615 1119512023 /nfs/dbraw/zinc/51/20/23/1119512023.db2.gz KTWJQSGJJOYIBD-PWHSHALESA-N 2 1 374.569 4.091 20 0 FIADMP C[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000494025220 1119526928 /nfs/dbraw/zinc/52/69/28/1119526928.db2.gz AFJRJISIOAATNG-ROUUACIJSA-N 2 1 364.624 4.341 20 0 FIADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186569660 1119737248 /nfs/dbraw/zinc/73/72/48/1119737248.db2.gz PFKQSOBCAHENAI-SFHVURJKSA-N 2 1 371.491 4.161 20 0 FIADMP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187106216 1119767202 /nfs/dbraw/zinc/76/72/02/1119767202.db2.gz UYSAJYLPDKMUGX-HNNXBMFYSA-N 2 1 354.897 4.117 20 0 FIADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)c2C1 ZINC000494504870 1119872203 /nfs/dbraw/zinc/87/22/03/1119872203.db2.gz CZFOQEYWAHXNDJ-OAQYLSRUSA-N 2 1 355.526 4.004 20 0 FIADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)c2C1 ZINC000494504870 1119872211 /nfs/dbraw/zinc/87/22/11/1119872211.db2.gz CZFOQEYWAHXNDJ-OAQYLSRUSA-N 2 1 355.526 4.004 20 0 FIADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2C1 ZINC000494504870 1119872218 /nfs/dbraw/zinc/87/22/18/1119872218.db2.gz CZFOQEYWAHXNDJ-OAQYLSRUSA-N 2 1 355.526 4.004 20 0 FIADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189739968 1119915117 /nfs/dbraw/zinc/91/51/17/1119915117.db2.gz LZTPBUJSIRNZLM-IBGZPJMESA-N 2 1 370.459 4.171 20 0 FIADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189739968 1119915119 /nfs/dbraw/zinc/91/51/19/1119915119.db2.gz LZTPBUJSIRNZLM-IBGZPJMESA-N 2 1 370.459 4.171 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191295265 1119969822 /nfs/dbraw/zinc/96/98/22/1119969822.db2.gz FGVRRZGFCAASRT-SIKLNZKXSA-N 2 1 366.553 4.069 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191295265 1119969823 /nfs/dbraw/zinc/96/98/23/1119969823.db2.gz FGVRRZGFCAASRT-SIKLNZKXSA-N 2 1 366.553 4.069 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCSc3ccc(OC)cc32)c1 ZINC000191510491 1119981121 /nfs/dbraw/zinc/98/11/21/1119981121.db2.gz WYVHJMZTPPAOGQ-FQEVSTJZSA-N 2 1 356.535 4.474 20 0 FIADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000192918009 1120090316 /nfs/dbraw/zinc/09/03/16/1120090316.db2.gz LOGYDZLGZSKIOM-IBGZPJMESA-N 2 1 356.535 4.029 20 0 FIADMP CCO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000193428215 1120142236 /nfs/dbraw/zinc/14/22/36/1120142236.db2.gz JUKCEEBCAXOYNV-HSZRJFAPSA-N 2 1 352.522 4.061 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495105402 1120477245 /nfs/dbraw/zinc/47/72/45/1120477245.db2.gz BRMCMPBXMWGHLH-DYESRHJHSA-N 2 1 368.569 4.255 20 0 FIADMP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410138 1120787823 /nfs/dbraw/zinc/78/78/23/1120787823.db2.gz TYPRIYGSCDIKHJ-RBBKRZOGSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410138 1120787829 /nfs/dbraw/zinc/78/78/29/1120787829.db2.gz TYPRIYGSCDIKHJ-RBBKRZOGSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410138 1120787837 /nfs/dbraw/zinc/78/78/37/1120787837.db2.gz TYPRIYGSCDIKHJ-RBBKRZOGSA-N 3 1 369.597 4.284 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000236826648 1120970551 /nfs/dbraw/zinc/97/05/51/1120970551.db2.gz VDKYHNWTRLLCTD-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000236826648 1120970554 /nfs/dbraw/zinc/97/05/54/1120970554.db2.gz VDKYHNWTRLLCTD-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP CCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1OCc1ccccc1 ZINC000236916139 1120971249 /nfs/dbraw/zinc/97/12/49/1120971249.db2.gz KEEBAOQYCLWFHX-UHFFFAOYSA-N 2 1 368.521 4.238 20 0 FIADMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000237352938 1120976282 /nfs/dbraw/zinc/97/62/82/1120976282.db2.gz CZPRGZHHCNOMKI-UHFFFAOYSA-N 2 1 358.913 4.145 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)C[C@H](C)O1 ZINC000237781276 1120984198 /nfs/dbraw/zinc/98/41/98/1120984198.db2.gz XTXOIJPLMXXBCI-HDICACEKSA-N 2 1 363.505 4.067 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000762920892 1120997326 /nfs/dbraw/zinc/99/73/26/1120997326.db2.gz YOWURKOAYUQKTH-GOSISDBHSA-N 2 1 362.315 4.051 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000762920892 1120997329 /nfs/dbraw/zinc/99/73/29/1120997329.db2.gz YOWURKOAYUQKTH-GOSISDBHSA-N 2 1 362.315 4.051 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000915682825 1121019940 /nfs/dbraw/zinc/01/99/40/1121019940.db2.gz RUXLGPHBIWCSBU-UXHICEINSA-N 2 1 360.542 4.371 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000915682825 1121019947 /nfs/dbraw/zinc/01/99/47/1121019947.db2.gz RUXLGPHBIWCSBU-UXHICEINSA-N 2 1 360.542 4.371 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@H](C)C1 ZINC000624307316 1121152520 /nfs/dbraw/zinc/15/25/20/1121152520.db2.gz GXOQQTMDQNXYKJ-VQIMIIECSA-N 2 1 372.475 4.018 20 0 FIADMP CC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000043391364 1121196728 /nfs/dbraw/zinc/19/67/28/1121196728.db2.gz YTYIBRVIPLSSKG-UHFFFAOYSA-N 2 1 372.557 4.057 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000058061148 1121389593 /nfs/dbraw/zinc/38/95/93/1121389593.db2.gz ZZUKUONGSIFFMT-HNNXBMFYSA-N 2 1 369.347 4.058 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000058061148 1121389601 /nfs/dbraw/zinc/38/96/01/1121389601.db2.gz ZZUKUONGSIFFMT-HNNXBMFYSA-N 2 1 369.347 4.058 20 0 FIADMP CC[NH+](CC)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000061003683 1121504402 /nfs/dbraw/zinc/50/44/02/1121504402.db2.gz GGQXYPWRPVILTL-UHFFFAOYSA-N 2 1 366.509 4.262 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763410967 1121580289 /nfs/dbraw/zinc/58/02/89/1121580289.db2.gz PRQMQCOFHUADGC-VKGYTVAMSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763410967 1121580293 /nfs/dbraw/zinc/58/02/93/1121580293.db2.gz PRQMQCOFHUADGC-VKGYTVAMSA-N 2 1 352.522 4.141 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc2c(c1)OCCO2 ZINC000123923560 1121646180 /nfs/dbraw/zinc/64/61/80/1121646180.db2.gz JPPZNHJZUYXFQP-HXUWFJFHSA-N 2 1 354.494 4.150 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671750340 1121713912 /nfs/dbraw/zinc/71/39/12/1121713912.db2.gz QQCHHVZFVVHROB-UONOGXRCSA-N 2 1 362.433 4.439 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000067214542 1121771917 /nfs/dbraw/zinc/77/19/17/1121771917.db2.gz KTLMGFFVQRKQTK-UHFFFAOYSA-N 2 1 353.441 4.090 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000125481473 1121782472 /nfs/dbraw/zinc/78/24/72/1121782472.db2.gz KHWKYTNISSYGBP-UHFFFAOYSA-N 2 1 359.901 4.220 20 0 FIADMP CC(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccnn1C ZINC000671762009 1121794882 /nfs/dbraw/zinc/79/48/82/1121794882.db2.gz QSHWXAWDWMDGOS-LZBANZJXSA-N 2 1 368.569 4.193 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125730713 1121818428 /nfs/dbraw/zinc/81/84/28/1121818428.db2.gz YLZNBVBGADXAEW-RTBURBONSA-N 2 1 374.573 4.331 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000916836711 1121876589 /nfs/dbraw/zinc/87/65/89/1121876589.db2.gz KMTLHNIYHFDEJU-UHFFFAOYSA-N 2 1 371.916 4.334 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000126641202 1121971976 /nfs/dbraw/zinc/97/19/76/1121971976.db2.gz SRGDEWDJEXRZPM-NRFANRHFSA-N 2 1 360.542 4.114 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cc2)C1 ZINC000917006688 1121999517 /nfs/dbraw/zinc/99/95/17/1121999517.db2.gz UMMWCNVMQCAUPH-IXFSTUDKSA-N 2 1 370.512 4.127 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccc3F)cc2)C1 ZINC000917006696 1121999551 /nfs/dbraw/zinc/99/95/51/1121999551.db2.gz UQXFLZGXLSOVHN-IXFSTUDKSA-N 2 1 370.512 4.127 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000917008230 1122000207 /nfs/dbraw/zinc/00/02/07/1122000207.db2.gz HKXZEZNXUSBREA-ZHRRBRCNSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000765805932 1122067007 /nfs/dbraw/zinc/06/70/07/1122067007.db2.gz AULBGMLDMMRKCV-YHYVQYDKSA-N 2 1 372.940 4.048 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672371 1122081422 /nfs/dbraw/zinc/08/14/22/1122081422.db2.gz ZLBPHKBDLWLFOF-UWJYYQICSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672371 1122081429 /nfs/dbraw/zinc/08/14/29/1122081429.db2.gz ZLBPHKBDLWLFOF-UWJYYQICSA-N 2 1 374.960 4.407 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)CC2)[nH+]1 ZINC000128184268 1122202988 /nfs/dbraw/zinc/20/29/88/1122202988.db2.gz GHWITWLKAFGKMA-HXUWFJFHSA-N 2 1 363.505 4.395 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(OC(F)F)cc3)CC2)[nH+]1 ZINC000128214712 1122206484 /nfs/dbraw/zinc/20/64/84/1122206484.db2.gz GQWVDHFEHSXSMQ-HNNXBMFYSA-N 2 1 361.436 4.311 20 0 FIADMP C[C@H]([NH2+]C1(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000497593057 1122301671 /nfs/dbraw/zinc/30/16/71/1122301671.db2.gz WNPKVYUKGWPVLX-PZJWPPBQSA-N 2 1 371.569 4.031 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000262666467 1122408113 /nfs/dbraw/zinc/40/81/13/1122408113.db2.gz NMDXSQQNSBHKMW-UHFFFAOYSA-N 2 1 368.525 4.293 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1c1ccccc1 ZINC000556053497 1122625544 /nfs/dbraw/zinc/62/55/44/1122625544.db2.gz TVUPZEYJAALGKY-VXNXHJTFSA-N 2 1 363.549 4.249 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000556059634 1122628990 /nfs/dbraw/zinc/62/89/90/1122628990.db2.gz UMBYBLSCYIMBPV-MQFRRQCYSA-N 2 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059634 1122628993 /nfs/dbraw/zinc/62/89/93/1122628993.db2.gz UMBYBLSCYIMBPV-MQFRRQCYSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059634 1122628994 /nfs/dbraw/zinc/62/89/94/1122628994.db2.gz UMBYBLSCYIMBPV-MQFRRQCYSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059634 1122628995 /nfs/dbraw/zinc/62/89/95/1122628995.db2.gz UMBYBLSCYIMBPV-MQFRRQCYSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059634 1122628996 /nfs/dbraw/zinc/62/89/96/1122628996.db2.gz UMBYBLSCYIMBPV-MQFRRQCYSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000556089803 1122643501 /nfs/dbraw/zinc/64/35/01/1122643501.db2.gz MKWVMGISOCEJHT-SFHVURJKSA-N 2 1 372.557 4.009 20 0 FIADMP C[C@H]1CC[NH+](C)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000556089803 1122643504 /nfs/dbraw/zinc/64/35/04/1122643504.db2.gz MKWVMGISOCEJHT-SFHVURJKSA-N 2 1 372.557 4.009 20 0 FIADMP C[C@H]1CC[NH+](C)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000556089803 1122643506 /nfs/dbraw/zinc/64/35/06/1122643506.db2.gz MKWVMGISOCEJHT-SFHVURJKSA-N 2 1 372.557 4.009 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104598 1122657803 /nfs/dbraw/zinc/65/78/03/1122657803.db2.gz YWJKDYKEYDDDRR-GHTZIAJQSA-N 2 1 358.913 4.316 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104598 1122657805 /nfs/dbraw/zinc/65/78/05/1122657805.db2.gz YWJKDYKEYDDDRR-GHTZIAJQSA-N 2 1 358.913 4.316 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556129893 1122676848 /nfs/dbraw/zinc/67/68/48/1122676848.db2.gz IKGNYQOGTMUNPF-REIYTJMXSA-N 2 1 356.485 4.327 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556129893 1122676850 /nfs/dbraw/zinc/67/68/50/1122676850.db2.gz IKGNYQOGTMUNPF-REIYTJMXSA-N 2 1 356.485 4.327 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556173917 1122714866 /nfs/dbraw/zinc/71/48/66/1122714866.db2.gz DBCPIRCVRVXDAQ-WBADGQHESA-N 2 1 368.496 4.471 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556173917 1122714871 /nfs/dbraw/zinc/71/48/71/1122714871.db2.gz DBCPIRCVRVXDAQ-WBADGQHESA-N 2 1 368.496 4.471 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233991 1122750775 /nfs/dbraw/zinc/75/07/75/1122750775.db2.gz UJYVMEQNCIFCKZ-UGKGYDQZSA-N 2 1 356.554 4.084 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234331 1122751572 /nfs/dbraw/zinc/75/15/72/1122751572.db2.gz WRGZNKUTMNQGIG-FGZHOGPDSA-N 2 1 368.565 4.228 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236157 1122752481 /nfs/dbraw/zinc/75/24/81/1122752481.db2.gz ONWQEHOPELPTHD-JCKWVBRZSA-N 2 1 366.431 4.162 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236157 1122752484 /nfs/dbraw/zinc/75/24/84/1122752484.db2.gz ONWQEHOPELPTHD-JCKWVBRZSA-N 2 1 366.431 4.162 20 0 FIADMP c1c2ccccc2oc1[C@H](NCCCNc1ccccn1)c1cccnc1 ZINC000498927909 1123086675 /nfs/dbraw/zinc/08/66/75/1123086675.db2.gz HGGUXJGTRLXFKU-JOCHJYFZSA-N 2 1 358.445 4.404 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000556857990 1123144264 /nfs/dbraw/zinc/14/42/64/1123144264.db2.gz FRAGASMSKZMKIG-UHFFFAOYSA-N 2 1 367.537 4.402 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868737 1123149738 /nfs/dbraw/zinc/14/97/38/1123149738.db2.gz BTXXJEGSSDPJQC-RDTXWAMCSA-N 2 1 356.432 4.358 20 0 FIADMP Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556868725 1123149838 /nfs/dbraw/zinc/14/98/38/1123149838.db2.gz BMLHNFLWICWXPQ-SLFFLAALSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1sc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)nc1-c1ccccc1 ZINC000556887166 1123164962 /nfs/dbraw/zinc/16/49/62/1123164962.db2.gz RXDDFFCFEUTNPK-OTWHNJEPSA-N 2 1 355.551 4.123 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000556881336 1123168644 /nfs/dbraw/zinc/16/86/44/1123168644.db2.gz NQHGOYUSLCOLET-ZIAGYGMSSA-N 2 1 369.490 4.441 20 0 FIADMP CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556891908 1123179646 /nfs/dbraw/zinc/17/96/46/1123179646.db2.gz HHVRNECLRFAXGC-YTFSRNRJSA-N 2 1 358.570 4.472 20 0 FIADMP COc1cccc(C2([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000556912144 1123203841 /nfs/dbraw/zinc/20/38/41/1123203841.db2.gz QVZYXTVQDPAKMQ-AZUAARDMSA-N 2 1 350.506 4.185 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000556933521 1123245985 /nfs/dbraw/zinc/24/59/85/1123245985.db2.gz LFUFBIMPVZWEOW-OAQYLSRUSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000556933521 1123245989 /nfs/dbraw/zinc/24/59/89/1123245989.db2.gz LFUFBIMPVZWEOW-OAQYLSRUSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933521 1123245992 /nfs/dbraw/zinc/24/59/92/1123245992.db2.gz LFUFBIMPVZWEOW-OAQYLSRUSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933521 1123245994 /nfs/dbraw/zinc/24/59/94/1123245994.db2.gz LFUFBIMPVZWEOW-OAQYLSRUSA-N 2 1 372.944 4.060 20 0 FIADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499145497 1123286469 /nfs/dbraw/zinc/28/64/69/1123286469.db2.gz HDYNTLWATNIGCA-XBYSBRQOSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499145497 1123286471 /nfs/dbraw/zinc/28/64/71/1123286471.db2.gz HDYNTLWATNIGCA-XBYSBRQOSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499145497 1123286473 /nfs/dbraw/zinc/28/64/73/1123286473.db2.gz HDYNTLWATNIGCA-XBYSBRQOSA-N 2 1 369.597 4.282 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOc2ccccc2)C3)cc1 ZINC000499145307 1123287131 /nfs/dbraw/zinc/28/71/31/1123287131.db2.gz FXXUMCINPJSLIS-DKUWSORSSA-N 2 1 350.506 4.241 20 0 FIADMP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159598 1123299391 /nfs/dbraw/zinc/29/93/91/1123299391.db2.gz VRKNKJOJRZMVDW-HLRQEUIKSA-N 2 1 368.496 4.378 20 0 FIADMP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159597 1123299668 /nfs/dbraw/zinc/29/96/68/1123299668.db2.gz VRKNKJOJRZMVDW-CIQXWFTPSA-N 2 1 368.496 4.378 20 0 FIADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499214778 1123331071 /nfs/dbraw/zinc/33/10/71/1123331071.db2.gz CUZVSYPRKASBPL-CWBXHPNXSA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499214778 1123331075 /nfs/dbraw/zinc/33/10/75/1123331075.db2.gz CUZVSYPRKASBPL-CWBXHPNXSA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499214778 1123331078 /nfs/dbraw/zinc/33/10/78/1123331078.db2.gz CUZVSYPRKASBPL-CWBXHPNXSA-N 2 1 355.570 4.036 20 0 FIADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000152640224 1123448329 /nfs/dbraw/zinc/44/83/29/1123448329.db2.gz FKHXPLGPUBIXLD-AVRDEDQJSA-N 2 1 350.506 4.165 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245609731 1124139944 /nfs/dbraw/zinc/13/99/44/1124139944.db2.gz NWZZFRKILRLBRS-NYUBLWNDSA-N 2 1 368.525 4.307 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C3)cc1 ZINC000245695171 1124204270 /nfs/dbraw/zinc/20/42/70/1124204270.db2.gz KZMSUWADBAYTKX-BKFWDETESA-N 3 1 369.597 4.428 20 0 FIADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C3)cc1 ZINC000245695171 1124204273 /nfs/dbraw/zinc/20/42/73/1124204273.db2.gz KZMSUWADBAYTKX-BKFWDETESA-N 2 1 369.597 4.428 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245724511 1124220943 /nfs/dbraw/zinc/22/09/43/1124220943.db2.gz PGNWBGPJQALPEF-CIQXWFTPSA-N 2 1 350.506 4.108 20 0 FIADMP c1cnn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245777220 1124247136 /nfs/dbraw/zinc/24/71/36/1124247136.db2.gz YINVJLKHYSORAP-KCSJKLDESA-N 2 1 364.537 4.152 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCc2nc4ccccc4[nH]2)C3)cc1 ZINC000245776917 1124247503 /nfs/dbraw/zinc/24/75/03/1124247503.db2.gz YFALWBOBFUUFKC-WKCHPHFGSA-N 2 1 374.532 4.281 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245872347 1124269445 /nfs/dbraw/zinc/26/94/45/1124269445.db2.gz LPLSZBGVIBZQHC-HMFYCAOWSA-N 2 1 366.553 4.139 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000246134642 1124366520 /nfs/dbraw/zinc/36/65/20/1124366520.db2.gz RNVBPUQKIMFVLY-WZONZLPQSA-N 2 1 350.506 4.148 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)CCO1 ZINC000246134642 1124366534 /nfs/dbraw/zinc/36/65/34/1124366534.db2.gz RNVBPUQKIMFVLY-WZONZLPQSA-N 2 1 350.506 4.148 20 0 FIADMP c1[nH+]c2cc(N[C@@H]3CCCc4cccnc43)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168655176 1124422940 /nfs/dbraw/zinc/42/29/40/1124422940.db2.gz LJLNLNZSOWNAAZ-RBUKOAKNSA-N 2 1 361.493 4.235 20 0 FIADMP CSCc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000921731531 1124431167 /nfs/dbraw/zinc/43/11/67/1124431167.db2.gz LMTDETZJTLOKIG-UHFFFAOYSA-N 2 1 373.566 4.156 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847245 1124447130 /nfs/dbraw/zinc/44/71/30/1124447130.db2.gz OTESYAQCXDTKQM-STSQHVNTSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847245 1124447134 /nfs/dbraw/zinc/44/71/34/1124447134.db2.gz OTESYAQCXDTKQM-STSQHVNTSA-N 2 1 365.521 4.206 20 0 FIADMP Clc1ncsc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001137820292 1124468072 /nfs/dbraw/zinc/46/80/72/1124468072.db2.gz YHZBGWQHGYHTKV-UHFFFAOYSA-N 2 1 367.971 4.346 20 0 FIADMP Clc1ncsc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001137820292 1124468078 /nfs/dbraw/zinc/46/80/78/1124468078.db2.gz YHZBGWQHGYHTKV-UHFFFAOYSA-N 2 1 367.971 4.346 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000246473340 1124509419 /nfs/dbraw/zinc/50/94/19/1124509419.db2.gz QQPVVNUPXDFGNO-ARFHVFGLSA-N 2 1 356.963 4.210 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000246504665 1124518484 /nfs/dbraw/zinc/51/84/84/1124518484.db2.gz NJRHKRHPRCUNHM-JXFKEZNVSA-N 2 1 364.493 4.121 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000246504665 1124518490 /nfs/dbraw/zinc/51/84/90/1124518490.db2.gz NJRHKRHPRCUNHM-JXFKEZNVSA-N 2 1 364.493 4.121 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564042 1124534440 /nfs/dbraw/zinc/53/44/40/1124534440.db2.gz FFCKNVLHHXJKEK-MGPUTAFESA-N 2 1 372.944 4.268 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564042 1124534463 /nfs/dbraw/zinc/53/44/63/1124534463.db2.gz FFCKNVLHHXJKEK-MGPUTAFESA-N 2 1 372.944 4.268 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564042 1124534474 /nfs/dbraw/zinc/53/44/74/1124534474.db2.gz FFCKNVLHHXJKEK-MGPUTAFESA-N 2 1 372.944 4.268 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000247059403 1124585587 /nfs/dbraw/zinc/58/55/87/1124585587.db2.gz NRXWHOAJWLGMKD-ZWKOTPCHSA-N 2 1 372.557 4.276 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000247051039 1124586128 /nfs/dbraw/zinc/58/61/28/1124586128.db2.gz OUTUAUHMLNJRGU-FGTMMUONSA-N 2 1 373.566 4.350 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000247081064 1124588668 /nfs/dbraw/zinc/58/86/68/1124588668.db2.gz OWSLUUKKFZWJMW-KGVIQGDOSA-N 2 1 365.521 4.066 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000247081064 1124588670 /nfs/dbraw/zinc/58/86/70/1124588670.db2.gz OWSLUUKKFZWJMW-KGVIQGDOSA-N 2 1 365.521 4.066 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000247194346 1124597799 /nfs/dbraw/zinc/59/77/99/1124597799.db2.gz UPNZHEWABIMSLW-MOXWOTFGSA-N 2 1 354.542 4.271 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000247233884 1124603747 /nfs/dbraw/zinc/60/37/47/1124603747.db2.gz YLRGIQDUCOUXKQ-WOJBJXKFSA-N 2 1 354.542 4.094 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000247950713 1124733977 /nfs/dbraw/zinc/73/39/77/1124733977.db2.gz DZKQEUOBNIWHPP-BJLQDIEVSA-N 2 1 355.526 4.022 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000247950713 1124733985 /nfs/dbraw/zinc/73/39/85/1124733985.db2.gz DZKQEUOBNIWHPP-BJLQDIEVSA-N 2 1 355.526 4.022 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168678342 1124769408 /nfs/dbraw/zinc/76/94/08/1124769408.db2.gz VOIGMRFGKOYVKD-IRLDBZIGSA-N 2 1 360.542 4.112 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248444577 1124769594 /nfs/dbraw/zinc/76/95/94/1124769594.db2.gz MCUJVEFVEGGJNU-MBSDFSHPSA-N 2 1 352.522 4.057 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000248449842 1124770733 /nfs/dbraw/zinc/77/07/33/1124770733.db2.gz OQWAVMKLSZQMEQ-UPVQGACJSA-N 2 1 364.533 4.201 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000248456386 1124773499 /nfs/dbraw/zinc/77/34/99/1124773499.db2.gz SFTQVWOJHJWXRA-UPVQGACJSA-N 2 1 364.533 4.119 20 0 FIADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001168683856 1124801620 /nfs/dbraw/zinc/80/16/20/1124801620.db2.gz APMNAHDMRXGOHS-AMEVOLBXSA-N 2 1 366.936 4.307 20 0 FIADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168686005 1124824509 /nfs/dbraw/zinc/82/45/09/1124824509.db2.gz VLHCVJMGQBIHAN-ICSRJNTNSA-N 2 1 354.925 4.309 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000521917909 1124827584 /nfs/dbraw/zinc/82/75/84/1124827584.db2.gz LKBQGEKZKMENIQ-KTKPDYKZSA-N 3 1 369.597 4.455 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)CC1 ZINC000521917909 1124827594 /nfs/dbraw/zinc/82/75/94/1124827594.db2.gz LKBQGEKZKMENIQ-KTKPDYKZSA-N 3 1 369.597 4.455 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000249058456 1124840087 /nfs/dbraw/zinc/84/00/87/1124840087.db2.gz ZJAUCQILUYIMDN-WKCHPHFGSA-N 2 1 367.562 4.479 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000249058456 1124840100 /nfs/dbraw/zinc/84/01/00/1124840100.db2.gz ZJAUCQILUYIMDN-WKCHPHFGSA-N 2 1 367.562 4.479 20 0 FIADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000649417754 1124841647 /nfs/dbraw/zinc/84/16/47/1124841647.db2.gz DIRWBZARQDDIPJ-ROUUACIJSA-N 2 1 371.550 4.030 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000249087085 1124842932 /nfs/dbraw/zinc/84/29/32/1124842932.db2.gz JHHSCCURISSMBP-KIFXHHALSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000249087085 1124842935 /nfs/dbraw/zinc/84/29/35/1124842935.db2.gz JHHSCCURISSMBP-KIFXHHALSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000249087085 1124842943 /nfs/dbraw/zinc/84/29/43/1124842943.db2.gz JHHSCCURISSMBP-KIFXHHALSA-N 3 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CC)c2nc(C)cs2)CC1 ZINC000088715610 1124881376 /nfs/dbraw/zinc/88/13/76/1124881376.db2.gz NCSYPQWSHMWCER-IBGZPJMESA-N 2 1 372.582 4.224 20 0 FIADMP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000089703437 1124929581 /nfs/dbraw/zinc/92/95/81/1124929581.db2.gz UVBAYVYRNFTYPJ-BFUOFWGJSA-N 2 1 369.336 4.071 20 0 FIADMP CC(C)(C)OC1CC([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000451061330 1124969972 /nfs/dbraw/zinc/96/99/72/1124969972.db2.gz HVARJRWQZZVHAW-UHFFFAOYSA-N 2 1 356.554 4.321 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000090879463 1125024337 /nfs/dbraw/zinc/02/43/37/1125024337.db2.gz AKOZALRVAYZWON-IRXDYDNUSA-N 2 1 372.476 4.173 20 0 FIADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1Cl ZINC000090937251 1125027970 /nfs/dbraw/zinc/02/79/70/1125027970.db2.gz HSAKGGDRMKYXDF-CYBMUJFWSA-N 2 1 368.308 4.180 20 0 FIADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(C)C)cc1 ZINC000091265819 1125059612 /nfs/dbraw/zinc/05/96/12/1125059612.db2.gz CMKQRMOSUVPRRJ-QHCPKHFHSA-N 2 1 368.521 4.014 20 0 FIADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000091333639 1125066260 /nfs/dbraw/zinc/06/62/60/1125066260.db2.gz YWMKFMGGTCUNAF-IBGZPJMESA-N 2 1 371.491 4.020 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000066960842 568072345 /nfs/dbraw/zinc/07/23/45/568072345.db2.gz IDKWCPFRISYKGO-QGZVFWFLSA-N 2 1 356.514 4.242 20 0 FIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC([NH+](CC)CC)CC2)nc1 ZINC001165054692 722007315 /nfs/dbraw/zinc/00/73/15/722007315.db2.gz YFIGXFDCYZJKLV-NRFANRHFSA-N 2 1 358.574 4.329 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182614391 1125581221 /nfs/dbraw/zinc/58/12/21/1125581221.db2.gz PORWFAGGAHWNKA-GOSISDBHSA-N 2 1 370.509 4.079 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000763611126 1125769511 /nfs/dbraw/zinc/76/95/11/1125769511.db2.gz AMGRVOIPJMUYCX-HXUWFJFHSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000763611126 1125769519 /nfs/dbraw/zinc/76/95/19/1125769519.db2.gz AMGRVOIPJMUYCX-HXUWFJFHSA-N 2 1 356.485 4.321 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)CC1 ZINC000154536618 1080231919 /nfs/dbraw/zinc/23/19/19/1080231919.db2.gz HXTXFYVPGLNUKO-INIZCTEOSA-N 2 1 371.541 4.070 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)CCCO1 ZINC000683344008 1080684155 /nfs/dbraw/zinc/68/41/55/1080684155.db2.gz HUSHQSQKCBPJBB-HXUWFJFHSA-N 2 1 367.537 4.045 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000109787464 1080753123 /nfs/dbraw/zinc/75/31/23/1080753123.db2.gz YGSPVEFKKVDBGX-UHFFFAOYSA-N 2 1 372.340 4.128 20 0 FIADMP CCN(C)C[C@@H](O)C[N@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178733 1080797078 /nfs/dbraw/zinc/79/70/78/1080797078.db2.gz JQXSZLHGEALAIO-MRXNPFEDSA-N 2 1 364.530 4.077 20 0 FIADMP CCN(C)C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178733 1080797085 /nfs/dbraw/zinc/79/70/85/1080797085.db2.gz JQXSZLHGEALAIO-MRXNPFEDSA-N 2 1 364.530 4.077 20 0 FIADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178733 1080797091 /nfs/dbraw/zinc/79/70/91/1080797091.db2.gz JQXSZLHGEALAIO-MRXNPFEDSA-N 2 1 364.530 4.077 20 0 FIADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178733 1080797098 /nfs/dbraw/zinc/79/70/98/1080797098.db2.gz JQXSZLHGEALAIO-MRXNPFEDSA-N 2 1 364.530 4.077 20 0 FIADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178733 1080797103 /nfs/dbraw/zinc/79/71/03/1080797103.db2.gz JQXSZLHGEALAIO-MRXNPFEDSA-N 2 1 364.530 4.077 20 0 FIADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178733 1080797110 /nfs/dbraw/zinc/79/71/10/1080797110.db2.gz JQXSZLHGEALAIO-MRXNPFEDSA-N 2 1 364.530 4.077 20 0 FIADMP CCN(C)C[C@H](O)C[N@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178732 1080797622 /nfs/dbraw/zinc/79/76/22/1080797622.db2.gz JQXSZLHGEALAIO-INIZCTEOSA-N 2 1 364.530 4.077 20 0 FIADMP CCN(C)C[C@H](O)C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178732 1080797628 /nfs/dbraw/zinc/79/76/28/1080797628.db2.gz JQXSZLHGEALAIO-INIZCTEOSA-N 2 1 364.530 4.077 20 0 FIADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178732 1080797635 /nfs/dbraw/zinc/79/76/35/1080797635.db2.gz JQXSZLHGEALAIO-INIZCTEOSA-N 2 1 364.530 4.077 20 0 FIADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178732 1080797641 /nfs/dbraw/zinc/79/76/41/1080797641.db2.gz JQXSZLHGEALAIO-INIZCTEOSA-N 2 1 364.530 4.077 20 0 FIADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178732 1080797648 /nfs/dbraw/zinc/79/76/48/1080797648.db2.gz JQXSZLHGEALAIO-INIZCTEOSA-N 2 1 364.530 4.077 20 0 FIADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC001167178732 1080797656 /nfs/dbraw/zinc/79/76/56/1080797656.db2.gz JQXSZLHGEALAIO-INIZCTEOSA-N 2 1 364.530 4.077 20 0 FIADMP COc1ccc(OCCC[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000510219696 1080797756 /nfs/dbraw/zinc/79/77/56/1080797756.db2.gz HIOQGAKWCJNQCP-UHFFFAOYSA-N 2 1 368.521 4.061 20 0 FIADMP COc1ccc(OCCC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000510219696 1080797763 /nfs/dbraw/zinc/79/77/63/1080797763.db2.gz HIOQGAKWCJNQCP-UHFFFAOYSA-N 2 1 368.521 4.061 20 0 FIADMP COc1ccc(OCCC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000510219696 1080797771 /nfs/dbraw/zinc/79/77/71/1080797771.db2.gz HIOQGAKWCJNQCP-UHFFFAOYSA-N 2 1 368.521 4.061 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312496253 1080878548 /nfs/dbraw/zinc/87/85/48/1080878548.db2.gz KUCQSJVCRDSFNF-WFXMLNOXSA-N 2 1 368.521 4.265 20 0 FIADMP c1ccc(C(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655679670 1081107906 /nfs/dbraw/zinc/10/79/06/1081107906.db2.gz DNDONPWPWTZBOW-HSZRJFAPSA-N 2 1 364.533 4.052 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(-c2ccnn2C)c1 ZINC001648810957 1081122447 /nfs/dbraw/zinc/12/24/47/1081122447.db2.gz AKXLYAARWDRJOI-BGYRXZFFSA-N 2 1 368.569 4.243 20 0 FIADMP CC(C)(C)c1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655738785 1081157986 /nfs/dbraw/zinc/15/79/86/1081157986.db2.gz YDYVQMPABBFRIZ-OAQYLSRUSA-N 2 1 358.570 4.105 20 0 FIADMP CCC(C)(C)c1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC001167298193 1081189655 /nfs/dbraw/zinc/18/96/55/1081189655.db2.gz HLFHCACSHCSWFL-NHCUHLMSSA-N 2 1 371.613 4.365 20 0 FIADMP C[N@@H+](CCCC[NH2+]Cc1oc2ccccc2c1Br)C1CC1 ZINC000655792856 1081205189 /nfs/dbraw/zinc/20/51/89/1081205189.db2.gz ROOPIEDXINDDHV-UHFFFAOYSA-N 2 1 351.288 4.159 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000121498514 1081242733 /nfs/dbraw/zinc/24/27/33/1081242733.db2.gz DUQIOJREXKEVCD-NWDGAFQWSA-N 2 1 357.832 4.433 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC4(CCCC4)O2)C3)cc1 ZINC000655853726 1081265851 /nfs/dbraw/zinc/26/58/51/1081265851.db2.gz YBNKJZLNIKMXEM-KJJMTIBFSA-N 2 1 354.538 4.263 20 0 FIADMP C[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001167337092 1081469824 /nfs/dbraw/zinc/46/98/24/1081469824.db2.gz GZGCQRXXCLRXHP-NKKJXINNSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@H]1CCCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337092 1081469829 /nfs/dbraw/zinc/46/98/29/1081469829.db2.gz GZGCQRXXCLRXHP-NKKJXINNSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@H]1CCCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337092 1081469834 /nfs/dbraw/zinc/46/98/34/1081469834.db2.gz GZGCQRXXCLRXHP-NKKJXINNSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000580101777 1081593703 /nfs/dbraw/zinc/59/37/03/1081593703.db2.gz IOHVVGLHWMYKDE-JFTIXFDTSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000580101777 1081593707 /nfs/dbraw/zinc/59/37/07/1081593707.db2.gz IOHVVGLHWMYKDE-JFTIXFDTSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000580101777 1081593714 /nfs/dbraw/zinc/59/37/14/1081593714.db2.gz IOHVVGLHWMYKDE-JFTIXFDTSA-N 2 1 363.549 4.247 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698448 1081595525 /nfs/dbraw/zinc/59/55/25/1081595525.db2.gz RFMYCAXVHFILTL-FPOVZHCZSA-N 2 1 368.521 4.267 20 0 FIADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245635 1081772593 /nfs/dbraw/zinc/77/25/93/1081772593.db2.gz XOMKYDQZIMBHMN-XHDPSFHLSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245635 1081772602 /nfs/dbraw/zinc/77/26/02/1081772602.db2.gz XOMKYDQZIMBHMN-XHDPSFHLSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245635 1081772607 /nfs/dbraw/zinc/77/26/07/1081772607.db2.gz XOMKYDQZIMBHMN-XHDPSFHLSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245635 1081772614 /nfs/dbraw/zinc/77/26/14/1081772614.db2.gz XOMKYDQZIMBHMN-XHDPSFHLSA-N 2 1 368.365 4.496 20 0 FIADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000580346021 1081879949 /nfs/dbraw/zinc/87/99/49/1081879949.db2.gz WTLBJUYHQYNKSD-KSZLIROESA-N 2 1 352.526 4.114 20 0 FIADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000580346021 1081879954 /nfs/dbraw/zinc/87/99/54/1081879954.db2.gz WTLBJUYHQYNKSD-KSZLIROESA-N 2 1 352.526 4.114 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000580487372 1081972979 /nfs/dbraw/zinc/97/29/79/1081972979.db2.gz TWSJGFGTWABFFY-CWRNSKLLSA-N 2 1 356.963 4.115 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000580487372 1081972982 /nfs/dbraw/zinc/97/29/82/1081972982.db2.gz TWSJGFGTWABFFY-CWRNSKLLSA-N 2 1 356.963 4.115 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587184 1082027992 /nfs/dbraw/zinc/02/79/92/1082027992.db2.gz XDXILIXRXFESQP-WTIAFYNJSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587184 1082028000 /nfs/dbraw/zinc/02/80/00/1082028000.db2.gz XDXILIXRXFESQP-WTIAFYNJSA-N 2 1 352.522 4.264 20 0 FIADMP Cc1cnn(CCCCC[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000580718291 1082096446 /nfs/dbraw/zinc/09/64/46/1082096446.db2.gz SNIVLUAUAUFVKT-HXUWFJFHSA-N 2 1 374.598 4.186 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000580718291 1082096455 /nfs/dbraw/zinc/09/64/55/1082096455.db2.gz SNIVLUAUAUFVKT-HXUWFJFHSA-N 2 1 374.598 4.186 20 0 FIADMP Cc1cnn(CCCCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000580718291 1082096462 /nfs/dbraw/zinc/09/64/62/1082096462.db2.gz SNIVLUAUAUFVKT-HXUWFJFHSA-N 2 1 374.598 4.186 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000580729835 1082104029 /nfs/dbraw/zinc/10/40/29/1082104029.db2.gz XDVLZCWCIXHBOQ-UHFFFAOYSA-N 2 1 356.485 4.356 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000581103909 1082316814 /nfs/dbraw/zinc/31/68/14/1082316814.db2.gz ZGOKMWPWQKTYJA-ARBVUSPFSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000581103909 1082316820 /nfs/dbraw/zinc/31/68/20/1082316820.db2.gz ZGOKMWPWQKTYJA-ARBVUSPFSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000581103909 1082316826 /nfs/dbraw/zinc/31/68/26/1082316826.db2.gz ZGOKMWPWQKTYJA-ARBVUSPFSA-N 2 1 350.453 4.107 20 0 FIADMP C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155453 1082391436 /nfs/dbraw/zinc/39/14/36/1082391436.db2.gz GJXIFIJBSRRMAA-PZJWPPBQSA-N 2 1 352.522 4.344 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCCCCC1 ZINC000510389889 1082477223 /nfs/dbraw/zinc/47/72/23/1082477223.db2.gz UHKABTCRXCCKQB-RTBURBONSA-N 2 1 357.542 4.264 20 0 FIADMP Fc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000129172517 1082620022 /nfs/dbraw/zinc/62/00/22/1082620022.db2.gz LLHMBVNIBWAPFB-UHFFFAOYSA-N 2 1 355.295 4.085 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000581549009 1082655844 /nfs/dbraw/zinc/65/58/44/1082655844.db2.gz KSUNHFSDCBWSID-NVXWUHKLSA-N 2 1 365.477 4.063 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000581549009 1082655845 /nfs/dbraw/zinc/65/58/45/1082655845.db2.gz KSUNHFSDCBWSID-NVXWUHKLSA-N 2 1 365.477 4.063 20 0 FIADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000656787825 1082772677 /nfs/dbraw/zinc/77/26/77/1082772677.db2.gz WVODTTOOZMSHHO-YFVAEKQCSA-N 2 1 369.940 4.249 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000564456831 1082814650 /nfs/dbraw/zinc/81/46/50/1082814650.db2.gz BRCGSYYROIOQAT-UTKZUKDTSA-N 2 1 366.484 4.075 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000564456831 1082814657 /nfs/dbraw/zinc/81/46/57/1082814657.db2.gz BRCGSYYROIOQAT-UTKZUKDTSA-N 2 1 366.484 4.075 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000510467796 1082924312 /nfs/dbraw/zinc/92/43/12/1082924312.db2.gz SAQSHZRFFCWWIO-UHFFFAOYSA-N 2 1 368.949 4.444 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000510467796 1082924313 /nfs/dbraw/zinc/92/43/13/1082924313.db2.gz SAQSHZRFFCWWIO-UHFFFAOYSA-N 2 1 368.949 4.444 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC[N@H+]1C ZINC000647186126 1082940407 /nfs/dbraw/zinc/94/04/07/1082940407.db2.gz CVRJZXHPDMJGKL-KXBFYZLASA-N 2 1 360.448 4.116 20 0 FIADMP [NH3+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000430669302 1082969424 /nfs/dbraw/zinc/96/94/24/1082969424.db2.gz SZWDUCPTBLDLJG-UHFFFAOYSA-N 2 1 366.896 4.116 20 0 FIADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197970 1083011499 /nfs/dbraw/zinc/01/14/99/1083011499.db2.gz XCNGBIWJDCIXFU-YADHBBJMSA-N 2 1 356.554 4.105 20 0 FIADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197970 1083011504 /nfs/dbraw/zinc/01/15/04/1083011504.db2.gz XCNGBIWJDCIXFU-YADHBBJMSA-N 2 1 356.554 4.105 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000510699635 1083245330 /nfs/dbraw/zinc/24/53/30/1083245330.db2.gz CGGKTNPYOAUWLG-INIZCTEOSA-N 2 1 350.934 4.412 20 0 FIADMP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000510703536 1083247255 /nfs/dbraw/zinc/24/72/55/1083247255.db2.gz OKAFFCMBBXIINR-IAGOWNOFSA-N 2 1 350.934 4.270 20 0 FIADMP C[C@@H]([NH2+]CCc1nsc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658318610 1083406244 /nfs/dbraw/zinc/40/62/44/1083406244.db2.gz QQQXTHFNBGCCGN-MJGOQNOKSA-N 2 1 365.546 4.339 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000548485803 1083480737 /nfs/dbraw/zinc/48/07/37/1083480737.db2.gz KEMFEWITUYQIQJ-JUXOCIIHSA-N 2 1 366.505 4.019 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000548485803 1083480740 /nfs/dbraw/zinc/48/07/40/1083480740.db2.gz KEMFEWITUYQIQJ-JUXOCIIHSA-N 2 1 366.505 4.019 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548488144 1083491572 /nfs/dbraw/zinc/49/15/72/1083491572.db2.gz AMTARPWGBCWAEL-XXBNENTESA-N 2 1 352.522 4.128 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548488144 1083491576 /nfs/dbraw/zinc/49/15/76/1083491576.db2.gz AMTARPWGBCWAEL-XXBNENTESA-N 2 1 352.522 4.128 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548488140 1083491706 /nfs/dbraw/zinc/49/17/06/1083491706.db2.gz AMTARPWGBCWAEL-AUSIDOKSSA-N 2 1 352.522 4.128 20 0 FIADMP COc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000548488140 1083491709 /nfs/dbraw/zinc/49/17/09/1083491709.db2.gz AMTARPWGBCWAEL-AUSIDOKSSA-N 2 1 352.522 4.128 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1)C1CC1 ZINC000510964665 1083544245 /nfs/dbraw/zinc/54/42/45/1083544245.db2.gz CVXRRBCIHHZKLI-UHFFFAOYSA-N 2 1 371.569 4.055 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(F)cc2)s1 ZINC000535809147 1083698107 /nfs/dbraw/zinc/69/81/07/1083698107.db2.gz IPALIYXZJKTHTM-RLLQIKCJSA-N 2 1 374.525 4.238 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000535839051 1083796353 /nfs/dbraw/zinc/79/63/53/1083796353.db2.gz LBXGCRNDPFFVNN-FYYLOGMGSA-N 2 1 352.522 4.396 20 0 FIADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000584480333 1083803358 /nfs/dbraw/zinc/80/33/58/1083803358.db2.gz YHKUGZYQTACUNX-UHFFFAOYSA-N 2 1 364.942 4.005 20 0 FIADMP C[N@H+](Cc1ncc(C(C)(C)C)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000448339312 1084319524 /nfs/dbraw/zinc/31/95/24/1084319524.db2.gz MBJPGCYLTRKXTD-UHFFFAOYSA-N 2 1 358.555 4.184 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(C4CCC4)cnn3C)cc2)C1 ZINC000657309187 1084380594 /nfs/dbraw/zinc/38/05/94/1084380594.db2.gz BMHKSLZJJHZGRN-SFHVURJKSA-N 2 1 366.553 4.209 20 0 FIADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000684773052 1084702077 /nfs/dbraw/zinc/70/20/77/1084702077.db2.gz XDSAEIATCUIXJP-IRLDBZIGSA-N 2 1 356.554 4.323 20 0 FIADMP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191428 1084775584 /nfs/dbraw/zinc/77/55/84/1084775584.db2.gz RWYKEDIKKRPDBM-JTSKRJEESA-N 2 1 356.485 4.245 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccncc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000657388135 1084842765 /nfs/dbraw/zinc/84/27/65/1084842765.db2.gz FTCPOYQZUQMAMO-QFBILLFUSA-N 2 1 351.519 4.439 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccncc3s2)CC[N@H+]1Cc1ccccc1 ZINC000657388135 1084842773 /nfs/dbraw/zinc/84/27/73/1084842773.db2.gz FTCPOYQZUQMAMO-QFBILLFUSA-N 2 1 351.519 4.439 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387167 1084845778 /nfs/dbraw/zinc/84/57/78/1084845778.db2.gz SFUNBFPNUKDIKO-JXFKEZNVSA-N 2 1 351.519 4.297 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387167 1084845783 /nfs/dbraw/zinc/84/57/83/1084845783.db2.gz SFUNBFPNUKDIKO-JXFKEZNVSA-N 2 1 351.519 4.297 20 0 FIADMP COCc1csc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000657400357 1084908109 /nfs/dbraw/zinc/90/81/09/1084908109.db2.gz XASVASYQMOWOKW-LFUKPOHLSA-N 2 1 358.551 4.141 20 0 FIADMP Cn1cncc1CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000563350497 1084981240 /nfs/dbraw/zinc/98/12/40/1084981240.db2.gz OQWFWHVDINKSSV-IBGZPJMESA-N 2 1 369.900 4.233 20 0 FIADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000563350497 1084981247 /nfs/dbraw/zinc/98/12/47/1084981247.db2.gz OQWFWHVDINKSSV-IBGZPJMESA-N 2 1 369.900 4.233 20 0 FIADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000582577926 1085185994 /nfs/dbraw/zinc/18/59/94/1085185994.db2.gz FKVJNRAJCMCGMQ-UGKGYDQZSA-N 2 1 361.618 4.107 20 0 FIADMP CC1=C[C@H](C)C[C@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577926 1085186000 /nfs/dbraw/zinc/18/60/00/1085186000.db2.gz FKVJNRAJCMCGMQ-UGKGYDQZSA-N 3 1 361.618 4.107 20 0 FIADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577926 1085186005 /nfs/dbraw/zinc/18/60/05/1085186005.db2.gz FKVJNRAJCMCGMQ-UGKGYDQZSA-N 3 1 361.618 4.107 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167589961 1085247298 /nfs/dbraw/zinc/24/72/98/1085247298.db2.gz KZHNGQVLPGPAHZ-RTBURBONSA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167589961 1085247304 /nfs/dbraw/zinc/24/73/04/1085247304.db2.gz KZHNGQVLPGPAHZ-RTBURBONSA-N 2 1 369.594 4.266 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167589961 1085247312 /nfs/dbraw/zinc/24/73/12/1085247312.db2.gz KZHNGQVLPGPAHZ-RTBURBONSA-N 2 1 369.594 4.266 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000582614666 1085250870 /nfs/dbraw/zinc/25/08/70/1085250870.db2.gz ZHHAUGOFKGERDZ-KNQAVFIVSA-N 2 1 366.553 4.009 20 0 FIADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000074990226 1085510035 /nfs/dbraw/zinc/51/00/35/1085510035.db2.gz DEPGCMVIIMQKNU-KRWDZBQOSA-N 2 1 356.514 4.158 20 0 FIADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806616 1085594836 /nfs/dbraw/zinc/59/48/36/1085594836.db2.gz MPQUDVMGUDPONO-UHFFFAOYSA-N 2 1 371.569 4.084 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237526747 1085710388 /nfs/dbraw/zinc/71/03/88/1085710388.db2.gz XJBCYXNBYOJVKQ-LAUBAEHRSA-N 2 1 351.494 4.090 20 0 FIADMP FCC[C@H]1CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@@H](CCF)C3)c2)C1 ZINC000661690254 1085731713 /nfs/dbraw/zinc/73/17/13/1085731713.db2.gz OYJSBZIPJNDEGO-KDURUIRLSA-N 2 1 365.512 4.225 20 0 FIADMP FCC[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@H](CCF)C3)c2)C1 ZINC000661690254 1085731723 /nfs/dbraw/zinc/73/17/23/1085731723.db2.gz OYJSBZIPJNDEGO-KDURUIRLSA-N 2 1 365.512 4.225 20 0 FIADMP FCC[C@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@@H](CCF)C3)c2)C1 ZINC000661690254 1085731733 /nfs/dbraw/zinc/73/17/33/1085731733.db2.gz OYJSBZIPJNDEGO-KDURUIRLSA-N 2 1 365.512 4.225 20 0 FIADMP COCc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000657659368 1085786477 /nfs/dbraw/zinc/78/64/77/1085786477.db2.gz GQOHMVOJCQQOIS-IBGZPJMESA-N 2 1 356.535 4.181 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)C1 ZINC000652348452 1085927714 /nfs/dbraw/zinc/92/77/14/1085927714.db2.gz FESKZTPOJRTARD-NUJGCVRESA-N 2 1 368.974 4.041 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000162149928 1085995287 /nfs/dbraw/zinc/99/52/87/1085995287.db2.gz QICLGOLIHFXVIH-HFJWLAOPSA-N 2 1 370.562 4.048 20 0 FIADMP COc1c(F)cccc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001143522297 1086196190 /nfs/dbraw/zinc/19/61/90/1086196190.db2.gz SYKHTONNUSOWDM-UHFFFAOYSA-N 2 1 365.452 4.013 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(C(C)C)c3)CC2)oc1C ZINC000663317172 1086404050 /nfs/dbraw/zinc/40/40/50/1086404050.db2.gz LDPCKQONVJUEGV-UHFFFAOYSA-N 2 1 355.526 4.417 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1CCC[NH3+] ZINC000662315174 1086413078 /nfs/dbraw/zinc/41/30/78/1086413078.db2.gz RROBWFIXQXYUAI-CXAGYDPISA-N 2 1 372.340 4.161 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC1 ZINC000663466636 1086566763 /nfs/dbraw/zinc/56/67/63/1086566763.db2.gz WFWWBYSUXQDZDL-BOMBAVFCSA-N 3 1 369.597 4.141 20 0 FIADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466636 1086566774 /nfs/dbraw/zinc/56/67/74/1086566774.db2.gz WFWWBYSUXQDZDL-BOMBAVFCSA-N 3 1 369.597 4.141 20 0 FIADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663466636 1086566781 /nfs/dbraw/zinc/56/67/81/1086566781.db2.gz WFWWBYSUXQDZDL-BOMBAVFCSA-N 2 1 369.597 4.141 20 0 FIADMP Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468221 1086572255 /nfs/dbraw/zinc/57/22/55/1086572255.db2.gz KLFFYSBIMDMSAO-LPHOPBHVSA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468221 1086572265 /nfs/dbraw/zinc/57/22/65/1086572265.db2.gz KLFFYSBIMDMSAO-LPHOPBHVSA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468221 1086572272 /nfs/dbraw/zinc/57/22/72/1086572272.db2.gz KLFFYSBIMDMSAO-LPHOPBHVSA-N 2 1 370.516 4.092 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001167827564 1086628125 /nfs/dbraw/zinc/62/81/25/1086628125.db2.gz XLRDUMNEFRRZAH-QFIPXVFZSA-N 3 1 371.613 4.485 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2ccc(Cl)cc2Cl)s1 ZINC000512018482 1086652176 /nfs/dbraw/zinc/65/21/76/1086652176.db2.gz ZPDVUCSLHGGWKM-UHFFFAOYSA-N 2 1 358.338 4.234 20 0 FIADMP C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3ccccc3Cl)o2)CCCO1 ZINC000432361201 1086660349 /nfs/dbraw/zinc/66/03/49/1086660349.db2.gz YPXMKUSDIBVROV-MRXNPFEDSA-N 2 1 362.901 4.191 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001167835581 1086706327 /nfs/dbraw/zinc/70/63/27/1086706327.db2.gz RRRKYDVKVODTSI-OEMFJLHTSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001167835581 1086706330 /nfs/dbraw/zinc/70/63/30/1086706330.db2.gz RRRKYDVKVODTSI-OEMFJLHTSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001167835581 1086706334 /nfs/dbraw/zinc/70/63/34/1086706334.db2.gz RRRKYDVKVODTSI-OEMFJLHTSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H](C)COC ZINC001167838064 1086712461 /nfs/dbraw/zinc/71/24/61/1086712461.db2.gz PFQUNHFSYJSECK-RBUKOAKNSA-N 2 1 350.547 4.043 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001167840014 1086719812 /nfs/dbraw/zinc/71/98/12/1086719812.db2.gz DGITWYTUBMDYIA-OTWHNJEPSA-N 2 1 369.594 4.265 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413286 1086735919 /nfs/dbraw/zinc/73/59/19/1086735919.db2.gz FXNMVPHPDYMPAZ-DLBZAZTESA-N 2 1 373.566 4.270 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413286 1086735922 /nfs/dbraw/zinc/73/59/22/1086735922.db2.gz FXNMVPHPDYMPAZ-DLBZAZTESA-N 2 1 373.566 4.270 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000650705404 1086749530 /nfs/dbraw/zinc/74/95/30/1086749530.db2.gz GFJGPMZVMVFFFL-DNVJHFABSA-N 2 1 350.506 4.072 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001167842551 1086753720 /nfs/dbraw/zinc/75/37/20/1086753720.db2.gz YKLNLLKBCZTUGG-CEWLAPEOSA-N 2 1 360.542 4.123 20 0 FIADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432430010 1086757379 /nfs/dbraw/zinc/75/73/79/1086757379.db2.gz RJRVIGFAGMOSGL-ROUUACIJSA-N 2 1 350.572 4.339 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427659 1086757441 /nfs/dbraw/zinc/75/74/41/1086757441.db2.gz DEAAFLUMQFXEHA-WMZHIEFXSA-N 2 1 370.512 4.200 20 0 FIADMP Clc1ccc2c(ccn2CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000583528303 1086770393 /nfs/dbraw/zinc/77/03/93/1086770393.db2.gz NVVLAHKOHABPDL-DYESRHJHSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528303 1086770409 /nfs/dbraw/zinc/77/04/09/1086770409.db2.gz NVVLAHKOHABPDL-DYESRHJHSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528303 1086770419 /nfs/dbraw/zinc/77/04/19/1086770419.db2.gz NVVLAHKOHABPDL-DYESRHJHSA-N 2 1 357.929 4.243 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCc4ccccc4N3)CC2)cc1 ZINC000650720993 1086810499 /nfs/dbraw/zinc/81/04/99/1086810499.db2.gz LENYMTPVOQOPDZ-HSZRJFAPSA-N 2 1 363.549 4.100 20 0 FIADMP CCC[N@@H+](CCCc1ccsc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000543960056 1086903052 /nfs/dbraw/zinc/90/30/52/1086903052.db2.gz PUJAGYODFRSADL-UHFFFAOYSA-N 2 1 372.582 4.469 20 0 FIADMP CCC[N@H+](CCCc1ccsc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000543960056 1086903055 /nfs/dbraw/zinc/90/30/55/1086903055.db2.gz PUJAGYODFRSADL-UHFFFAOYSA-N 2 1 372.582 4.469 20 0 FIADMP CCC[N@@H+](CCCc1ccsc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000543960056 1086903057 /nfs/dbraw/zinc/90/30/57/1086903057.db2.gz PUJAGYODFRSADL-UHFFFAOYSA-N 2 1 372.582 4.469 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cc2ccncc2s1 ZINC000657827255 1087164421 /nfs/dbraw/zinc/16/44/21/1087164421.db2.gz LDCMJQGKHOGFRT-MRXNPFEDSA-N 2 1 351.519 4.395 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cc2ccncc2s1 ZINC000657827255 1087164424 /nfs/dbraw/zinc/16/44/24/1087164424.db2.gz LDCMJQGKHOGFRT-MRXNPFEDSA-N 2 1 351.519 4.395 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000151676108 1087203720 /nfs/dbraw/zinc/20/37/20/1087203720.db2.gz ZPDGJPSYSQOGJL-HXUWFJFHSA-N 2 1 374.532 4.230 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2cc1OC ZINC000657839564 1087266341 /nfs/dbraw/zinc/26/63/41/1087266341.db2.gz CEOWKLFVPGAGOZ-CWFSZBLJSA-N 2 1 354.494 4.134 20 0 FIADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657839829 1087282525 /nfs/dbraw/zinc/28/25/25/1087282525.db2.gz HKEKBJAXYOKRPX-QRVBRYPASA-N 2 1 365.359 4.233 20 0 FIADMP CCOc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000892381096 1087383467 /nfs/dbraw/zinc/38/34/67/1087383467.db2.gz RXIVWNXCMDJLPH-UHFFFAOYSA-N 2 1 357.498 4.068 20 0 FIADMP CC(C)c1nnc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000892381545 1087387257 /nfs/dbraw/zinc/38/72/57/1087387257.db2.gz VVSLEUDNVPHLIC-UHFFFAOYSA-N 2 1 373.570 4.052 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000089667536 1087390142 /nfs/dbraw/zinc/39/01/42/1087390142.db2.gz LQDSVNSLCSISAY-IEBWSBKVSA-N 2 1 369.578 4.207 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000091267671 1087426499 /nfs/dbraw/zinc/42/64/99/1087426499.db2.gz DCWSNTCZYPSFQI-GOSISDBHSA-N 2 1 362.521 4.410 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)oc21 ZINC000708545744 1087437435 /nfs/dbraw/zinc/43/74/35/1087437435.db2.gz VJDMYRWBTOKMIP-FXAWDEMLSA-N 2 1 364.489 4.299 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)oc21 ZINC000708545744 1087437436 /nfs/dbraw/zinc/43/74/36/1087437436.db2.gz VJDMYRWBTOKMIP-FXAWDEMLSA-N 2 1 364.489 4.299 20 0 FIADMP Cc1ncc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000628217877 1087518651 /nfs/dbraw/zinc/51/86/51/1087518651.db2.gz MMDITGBXAZECEV-CRAIPNDOSA-N 2 1 367.415 4.175 20 0 FIADMP COCC(C)(C)C[N@@H+](CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000685451303 1087571565 /nfs/dbraw/zinc/57/15/65/1087571565.db2.gz AOIQEAAWJKOOCK-UHFFFAOYSA-N 2 1 367.896 4.241 20 0 FIADMP COCC(C)(C)CN(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000685451303 1087571567 /nfs/dbraw/zinc/57/15/67/1087571567.db2.gz AOIQEAAWJKOOCK-UHFFFAOYSA-N 2 1 367.896 4.241 20 0 FIADMP Cc1nccn1CCC[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000685462171 1087574981 /nfs/dbraw/zinc/57/49/81/1087574981.db2.gz OFXGRAYFNISJNH-UHFFFAOYSA-N 2 1 366.292 4.296 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000685462171 1087574985 /nfs/dbraw/zinc/57/49/85/1087574985.db2.gz OFXGRAYFNISJNH-UHFFFAOYSA-N 2 1 366.292 4.296 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000685462171 1087574987 /nfs/dbraw/zinc/57/49/87/1087574987.db2.gz OFXGRAYFNISJNH-UHFFFAOYSA-N 2 1 366.292 4.296 20 0 FIADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000685463113 1087575300 /nfs/dbraw/zinc/57/53/00/1087575300.db2.gz GRWNLPSEMQBHSN-XLIONFOSSA-N 2 1 360.542 4.036 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000685649174 1087656602 /nfs/dbraw/zinc/65/66/02/1087656602.db2.gz CCLYFYQHCPYIOO-DDOIHHOZSA-N 2 1 368.521 4.208 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000685655478 1087659868 /nfs/dbraw/zinc/65/98/68/1087659868.db2.gz RBSSEGSCPUNFKV-CTNGQTDRSA-N 2 1 364.533 4.227 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2cc1OC ZINC000658028055 1087699075 /nfs/dbraw/zinc/69/90/75/1087699075.db2.gz GUARFJHDRQQTQB-LRLLJDFBSA-N 2 1 354.494 4.133 20 0 FIADMP CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143218 1087734739 /nfs/dbraw/zinc/73/47/39/1087734739.db2.gz XSORSJHFQDGXHX-YLJYHZDGSA-N 2 1 370.562 4.216 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424260723 1087880813 /nfs/dbraw/zinc/88/08/13/1087880813.db2.gz DLEQASDLDJUYKF-AZCFJWIISA-N 2 1 356.554 4.354 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000647532553 1087955034 /nfs/dbraw/zinc/95/50/34/1087955034.db2.gz BTSPCNIHRZXCJL-ICSRJNTNSA-N 2 1 355.551 4.193 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000414360136 1087963798 /nfs/dbraw/zinc/96/37/98/1087963798.db2.gz GDSOWXHDSDKAEY-UHFFFAOYSA-N 2 1 370.516 4.207 20 0 FIADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000518762322 1088242503 /nfs/dbraw/zinc/24/25/03/1088242503.db2.gz PNGNHCOPPVEYKS-UHFFFAOYSA-N 2 1 352.931 4.126 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311196762 1088346129 /nfs/dbraw/zinc/34/61/29/1088346129.db2.gz ILTIAQJWAOZQQP-SFHVURJKSA-N 2 1 358.913 4.350 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311196762 1088346141 /nfs/dbraw/zinc/34/61/41/1088346141.db2.gz ILTIAQJWAOZQQP-SFHVURJKSA-N 2 1 358.913 4.350 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233761 1088522978 /nfs/dbraw/zinc/52/29/78/1088522978.db2.gz WHAGKSMAAXRLNI-IAGOWNOFSA-N 2 1 356.535 4.246 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233761 1088522991 /nfs/dbraw/zinc/52/29/91/1088522991.db2.gz WHAGKSMAAXRLNI-IAGOWNOFSA-N 2 1 356.535 4.246 20 0 FIADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000311395647 1088619518 /nfs/dbraw/zinc/61/95/18/1088619518.db2.gz OVWADUDAWLKEAT-AUSIDOKSSA-N 2 1 352.522 4.128 20 0 FIADMP [NH3+]C1(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCCCC1 ZINC000414846561 1088710143 /nfs/dbraw/zinc/71/01/43/1088710143.db2.gz SZGWOLNIBDAQHZ-UHFFFAOYSA-N 2 1 371.912 4.344 20 0 FIADMP COCc1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000514081001 1088717861 /nfs/dbraw/zinc/71/78/61/1088717861.db2.gz ABQHRHNRJKDKKI-UHFFFAOYSA-N 2 1 352.522 4.177 20 0 FIADMP Cc1cn2c(C[NH2+]C[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000311568693 1088732922 /nfs/dbraw/zinc/73/29/22/1088732922.db2.gz ZOZYUTLLZQFBKY-OAQYLSRUSA-N 2 1 368.550 4.014 20 0 FIADMP Cc1cn2c(C[NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000311568693 1088732939 /nfs/dbraw/zinc/73/29/39/1088732939.db2.gz ZOZYUTLLZQFBKY-OAQYLSRUSA-N 2 1 368.550 4.014 20 0 FIADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2C(F)(F)F)CC1 ZINC001143486128 1088980427 /nfs/dbraw/zinc/98/04/27/1088980427.db2.gz YELTWFPMTJDROQ-UHFFFAOYSA-N 2 1 358.448 4.410 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2C(F)(F)F)CC1 ZINC001143486128 1088980446 /nfs/dbraw/zinc/98/04/46/1088980446.db2.gz YELTWFPMTJDROQ-UHFFFAOYSA-N 2 1 358.448 4.410 20 0 FIADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000434777260 1089030356 /nfs/dbraw/zinc/03/03/56/1089030356.db2.gz PFGXKTYQVMNCIA-AVRDEDQJSA-N 2 1 374.569 4.091 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Oc1cccnc1 ZINC000415055579 1089101059 /nfs/dbraw/zinc/10/10/59/1089101059.db2.gz RGEATKAOHIKKAO-TZIWHRDSSA-N 2 1 351.494 4.146 20 0 FIADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000518769775 1089123551 /nfs/dbraw/zinc/12/35/51/1089123551.db2.gz AMKAGDVAGMWSCF-UHFFFAOYSA-N 2 1 365.340 4.361 20 0 FIADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415081490 1089138386 /nfs/dbraw/zinc/13/83/86/1089138386.db2.gz CFQJWWCZZDYTBB-SLFFLAALSA-N 2 1 358.526 4.027 20 0 FIADMP CCOc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1OC ZINC000435061376 1089249757 /nfs/dbraw/zinc/24/97/57/1089249757.db2.gz PRZPEATUHLQHHH-UHFFFAOYSA-N 2 1 369.509 4.006 20 0 FIADMP c1csc(-c2n[nH]cc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435061715 1089253261 /nfs/dbraw/zinc/25/32/61/1089253261.db2.gz SITOBAKQXCLFJH-UHFFFAOYSA-N 2 1 367.522 4.051 20 0 FIADMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-c2cnn(C)c2)c1 ZINC000549249234 1089414894 /nfs/dbraw/zinc/41/48/94/1089414894.db2.gz BUHIPRODFGVOMS-UHFFFAOYSA-N 2 1 374.532 4.150 20 0 FIADMP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435392047 1089599438 /nfs/dbraw/zinc/59/94/38/1089599438.db2.gz ZFIWYKCGBFLHHL-OAHLLOKOSA-N 2 1 360.933 4.129 20 0 FIADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000435392047 1089599450 /nfs/dbraw/zinc/59/94/50/1089599450.db2.gz ZFIWYKCGBFLHHL-OAHLLOKOSA-N 2 1 360.933 4.129 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414872621 1089890178 /nfs/dbraw/zinc/89/01/78/1089890178.db2.gz FZKZZXVWUXXWKD-XZOQPEGZSA-N 2 1 367.537 4.274 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000549392954 1090017632 /nfs/dbraw/zinc/01/76/32/1090017632.db2.gz FUBBJGNKRPTJHF-JFSTXAPLSA-N 2 1 352.522 4.120 20 0 FIADMP CCCCOc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC000182089443 1090040263 /nfs/dbraw/zinc/04/02/63/1090040263.db2.gz UGRDSIPREOEXBC-GOSISDBHSA-N 2 1 371.525 4.062 20 0 FIADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000584552517 1090085125 /nfs/dbraw/zinc/08/51/25/1090085125.db2.gz GIFGFTSBNFSMCH-FQEVSTJZSA-N 2 1 356.485 4.452 20 0 FIADMP COc1ccc(C[NH+](C)C)cc1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582029662 1090318017 /nfs/dbraw/zinc/31/80/17/1090318017.db2.gz GDWWGUANAKGSNB-RXVVDRJESA-N 2 1 367.537 4.079 20 0 FIADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687531 1090565554 /nfs/dbraw/zinc/56/55/54/1090565554.db2.gz QGFIQQJXLFCAHU-TYILLQQXSA-N 2 1 371.352 4.269 20 0 FIADMP COc1cc2cc[nH+]c(NCC3CCN(c4cc[nH+]cc4)CC3)c2cc1F ZINC000584676127 1090690346 /nfs/dbraw/zinc/69/03/46/1090690346.db2.gz SZTYIXGIVMAZDX-UHFFFAOYSA-N 2 1 366.440 4.106 20 0 FIADMP CC[N@@H+]1CC=C(c2cnc(NCCC[NH+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC001167752894 1091165897 /nfs/dbraw/zinc/16/58/97/1091165897.db2.gz ZEHNWPAIYVROPH-IBGZPJMESA-N 2 1 356.558 4.175 20 0 FIADMP CC[NH+]1CC=C(c2cnc(NCCC[N@@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC001167752894 1091165902 /nfs/dbraw/zinc/16/59/02/1091165902.db2.gz ZEHNWPAIYVROPH-IBGZPJMESA-N 2 1 356.558 4.175 20 0 FIADMP CC[NH+]1CC=C(c2cnc(NCCC[N@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC001167752894 1091165906 /nfs/dbraw/zinc/16/59/06/1091165906.db2.gz ZEHNWPAIYVROPH-IBGZPJMESA-N 2 1 356.558 4.175 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001167753130 1091176006 /nfs/dbraw/zinc/17/60/06/1091176006.db2.gz KYKHCOIFARVYDH-LJQANCHMSA-N 2 1 368.569 4.483 20 0 FIADMP COc1ccccc1Oc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192851579 1091208456 /nfs/dbraw/zinc/20/84/56/1091208456.db2.gz JUDLFDVNYJGUNL-YQQQUEKLSA-N 2 1 352.478 4.202 20 0 FIADMP COc1ccccc1Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192851579 1091208477 /nfs/dbraw/zinc/20/84/77/1091208477.db2.gz JUDLFDVNYJGUNL-YQQQUEKLSA-N 2 1 352.478 4.202 20 0 FIADMP Cc1csc([C@@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121852 1091267788 /nfs/dbraw/zinc/26/77/88/1091267788.db2.gz MICSLDLWLNYRGA-LPHOPBHVSA-N 2 1 355.551 4.342 20 0 FIADMP Cc1csc([C@@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121852 1091267797 /nfs/dbraw/zinc/26/77/97/1091267797.db2.gz MICSLDLWLNYRGA-LPHOPBHVSA-N 2 1 355.551 4.342 20 0 FIADMP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093612375 1091462781 /nfs/dbraw/zinc/46/27/81/1091462781.db2.gz KNSVONRCWHBCMF-INIZCTEOSA-N 2 1 361.555 4.147 20 0 FIADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc2cc(Br)ccc2o1 ZINC000020546282 1091483897 /nfs/dbraw/zinc/48/38/97/1091483897.db2.gz FDZZPDYHAZQTAZ-ZDUSSCGKSA-N 2 1 351.288 4.332 20 0 FIADMP COc1cccc([C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235737 1091944942 /nfs/dbraw/zinc/94/49/42/1091944942.db2.gz CVNPQRCSNPLVNW-WMZHIEFXSA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@H](C)[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235737 1091944943 /nfs/dbraw/zinc/94/49/43/1091944943.db2.gz CVNPQRCSNPLVNW-WMZHIEFXSA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@H](C)[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235737 1091944947 /nfs/dbraw/zinc/94/49/47/1091944947.db2.gz CVNPQRCSNPLVNW-WMZHIEFXSA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235737 1091944954 /nfs/dbraw/zinc/94/49/54/1091944954.db2.gz CVNPQRCSNPLVNW-WMZHIEFXSA-N 2 1 350.506 4.354 20 0 FIADMP C[C@H](c1nc2ccccc2o1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236292 1091945346 /nfs/dbraw/zinc/94/53/46/1091945346.db2.gz GJJOHFLJARPCAI-WZONZLPQSA-N 2 1 361.489 4.487 20 0 FIADMP COCc1ccccc1/C=C(/C)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512345376 1092091870 /nfs/dbraw/zinc/09/18/70/1092091870.db2.gz GJPRSEWLEJCQHF-FVZZOKADSA-N 2 1 356.554 4.479 20 0 FIADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000093089139 1092239128 /nfs/dbraw/zinc/23/91/28/1092239128.db2.gz MAYXOFJSAPPQGR-UHFFFAOYSA-N 2 1 374.550 4.109 20 0 FIADMP CCCc1nc(C)c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000428236207 1092305849 /nfs/dbraw/zinc/30/58/49/1092305849.db2.gz GOZYFIWTOFWOEB-PXNSSMCTSA-N 2 1 355.526 4.420 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432790966 1092369974 /nfs/dbraw/zinc/36/99/74/1092369974.db2.gz DXLOYLAOPOOCAB-GOSISDBHSA-N 2 1 360.933 4.059 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432790966 1092369988 /nfs/dbraw/zinc/36/99/88/1092369988.db2.gz DXLOYLAOPOOCAB-GOSISDBHSA-N 2 1 360.933 4.059 20 0 FIADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000665281458 1092601432 /nfs/dbraw/zinc/60/14/32/1092601432.db2.gz DBJRGJLVFBHNDY-IFMALSPDSA-N 2 1 351.469 4.426 20 0 FIADMP COc1c(F)cccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001143532372 1092683077 /nfs/dbraw/zinc/68/30/77/1092683077.db2.gz FUIIBHCYCVTXND-UHFFFAOYSA-N 2 1 368.496 4.322 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442776657 1092757944 /nfs/dbraw/zinc/75/79/44/1092757944.db2.gz CDIMISYXLBBYNQ-YLJYHZDGSA-N 2 1 359.517 4.450 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@H]1c1cccs1 ZINC000442787047 1092762722 /nfs/dbraw/zinc/76/27/22/1092762722.db2.gz HBIPHBVHGSMHIT-MCFFVMPBSA-N 2 1 365.546 4.369 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@H]1c1cccs1 ZINC000442787047 1092762728 /nfs/dbraw/zinc/76/27/28/1092762728.db2.gz HBIPHBVHGSMHIT-MCFFVMPBSA-N 2 1 365.546 4.369 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000442787372 1092766537 /nfs/dbraw/zinc/76/65/37/1092766537.db2.gz VQIDRBVDAZHCNM-FUHWJXTLSA-N 2 1 370.459 4.042 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000442787367 1092766973 /nfs/dbraw/zinc/76/69/73/1092766973.db2.gz VQIDRBVDAZHCNM-AEFFLSMTSA-N 2 1 370.459 4.042 20 0 FIADMP C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000442825130 1092780429 /nfs/dbraw/zinc/78/04/29/1092780429.db2.gz IEHPVXNOPAMFRH-DFQSSKMNSA-N 2 1 359.517 4.135 20 0 FIADMP COCCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865500 1092811756 /nfs/dbraw/zinc/81/17/56/1092811756.db2.gz UCMCIGGDJAAAAT-REWPJTCUSA-N 2 1 370.512 4.405 20 0 FIADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2)cc1 ZINC000442868477 1092815100 /nfs/dbraw/zinc/81/51/00/1092815100.db2.gz CIZYMWUVTQWTBI-IBGZPJMESA-N 2 1 351.538 4.030 20 0 FIADMP C[C@@H]1C[C@@H](N2C[C@@H](CC[NH3+])c3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014921 1092901549 /nfs/dbraw/zinc/90/15/49/1092901549.db2.gz NHOCLRSBQCZDSY-NPDDRXJXSA-N 2 1 363.549 4.381 20 0 FIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443062313 1092924143 /nfs/dbraw/zinc/92/41/43/1092924143.db2.gz UKORVFGXLCQIMZ-KNQAVFIVSA-N 2 1 365.521 4.044 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000236932952 1092979919 /nfs/dbraw/zinc/97/99/19/1092979919.db2.gz ZJFMZHLPIMWZOH-HXUWFJFHSA-N 2 1 367.537 4.099 20 0 FIADMP C[C@@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443212199 1092985974 /nfs/dbraw/zinc/98/59/74/1092985974.db2.gz LVBVCOCTQQFJLW-BBWFWOEESA-N 2 1 354.498 4.266 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512612060 1092990953 /nfs/dbraw/zinc/99/09/53/1092990953.db2.gz NMUFKPLYXMYNSH-SYYKKAFVSA-N 2 1 367.537 4.190 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512612060 1092990955 /nfs/dbraw/zinc/99/09/55/1092990955.db2.gz NMUFKPLYXMYNSH-SYYKKAFVSA-N 2 1 367.537 4.190 20 0 FIADMP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2)cn1 ZINC000544351860 1093035727 /nfs/dbraw/zinc/03/57/27/1093035727.db2.gz YKOOBYZTAOHWOL-SFHVURJKSA-N 2 1 358.555 4.022 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152152037 1093080139 /nfs/dbraw/zinc/08/01/39/1093080139.db2.gz ZPXJMRXZMASZIC-SQGPQFPESA-N 2 1 353.510 4.309 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)ccn2)c1C ZINC000152152037 1093080145 /nfs/dbraw/zinc/08/01/45/1093080145.db2.gz ZPXJMRXZMASZIC-SQGPQFPESA-N 2 1 353.510 4.309 20 0 FIADMP CCOc1cc2[nH+]ccc(N3CCC[N@H+](C(C)(C)C)CC3)c2cc1OCC ZINC000522123647 1093108388 /nfs/dbraw/zinc/10/83/88/1093108388.db2.gz WOFQGVXDHKYBPT-UHFFFAOYSA-N 2 1 371.525 4.343 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053381 1093153599 /nfs/dbraw/zinc/15/35/99/1093153599.db2.gz DLNHPEXIFYAQAU-MJGOQNOKSA-N 2 1 350.497 4.355 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053380 1093153969 /nfs/dbraw/zinc/15/39/69/1093153969.db2.gz DLNHPEXIFYAQAU-IEBWSBKVSA-N 2 1 350.497 4.355 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248387605 1093248737 /nfs/dbraw/zinc/24/87/37/1093248737.db2.gz PPOQDKODRAACGW-MOPGFXCFSA-N 2 1 367.578 4.020 20 0 FIADMP C[C@@](O)(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000248993155 1093323123 /nfs/dbraw/zinc/32/31/23/1093323123.db2.gz NYTLATQKESBBEC-UEQSERJNSA-N 2 1 364.533 4.069 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918878 1093418100 /nfs/dbraw/zinc/41/81/00/1093418100.db2.gz NDBLIFCENKUOPO-SMTGMISWSA-N 2 1 363.343 4.320 20 0 FIADMP CC(C)[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000513007964 1093659427 /nfs/dbraw/zinc/65/94/27/1093659427.db2.gz ZJPCMHVCAQAVJP-KRWDZBQOSA-N 2 1 351.947 4.388 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000327403347 1093718828 /nfs/dbraw/zinc/71/88/28/1093718828.db2.gz VDYSXFFEWOBGKX-HUUCEWRRSA-N 2 1 366.349 4.441 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000327403347 1093718832 /nfs/dbraw/zinc/71/88/32/1093718832.db2.gz VDYSXFFEWOBGKX-HUUCEWRRSA-N 2 1 366.349 4.441 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H](CCC[NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033467 1093720843 /nfs/dbraw/zinc/72/08/43/1093720843.db2.gz LAJZBMGCRQMCDC-ADYITMSISA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033467 1093720848 /nfs/dbraw/zinc/72/08/48/1093720848.db2.gz LAJZBMGCRQMCDC-ADYITMSISA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033467 1093720853 /nfs/dbraw/zinc/72/08/53/1093720853.db2.gz LAJZBMGCRQMCDC-ADYITMSISA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168033467 1093720857 /nfs/dbraw/zinc/72/08/57/1093720857.db2.gz LAJZBMGCRQMCDC-ADYITMSISA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168033467 1093720861 /nfs/dbraw/zinc/72/08/61/1093720861.db2.gz LAJZBMGCRQMCDC-ADYITMSISA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC000474424478 1093762160 /nfs/dbraw/zinc/76/21/60/1093762160.db2.gz GJFTUYYEJVFEBR-VNQPRFMTSA-N 2 1 356.341 4.035 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000474424478 1093762166 /nfs/dbraw/zinc/76/21/66/1093762166.db2.gz GJFTUYYEJVFEBR-VNQPRFMTSA-N 2 1 356.341 4.035 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000052209464 1093767607 /nfs/dbraw/zinc/76/76/07/1093767607.db2.gz YRIASQOHNUVWQB-UHFFFAOYSA-N 2 1 370.484 4.241 20 0 FIADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000576399587 1093797496 /nfs/dbraw/zinc/79/74/96/1093797496.db2.gz PPRZQNOJAQCZOG-WOIUINJBSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000576399587 1093797504 /nfs/dbraw/zinc/79/75/04/1093797504.db2.gz PPRZQNOJAQCZOG-WOIUINJBSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H]1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000576399579 1093797742 /nfs/dbraw/zinc/79/77/42/1093797742.db2.gz PPRZQNOJAQCZOG-KNKQGSTJSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H]1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000576399579 1093797748 /nfs/dbraw/zinc/79/77/48/1093797748.db2.gz PPRZQNOJAQCZOG-KNKQGSTJSA-N 2 1 356.554 4.367 20 0 FIADMP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927638 1093829485 /nfs/dbraw/zinc/82/94/85/1093829485.db2.gz JRNXBRMZARMPBR-DHIUTWEWSA-N 2 1 354.538 4.029 20 0 FIADMP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927638 1093829494 /nfs/dbraw/zinc/82/94/94/1093829494.db2.gz JRNXBRMZARMPBR-DHIUTWEWSA-N 2 1 354.538 4.029 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513217010 1094011143 /nfs/dbraw/zinc/01/11/43/1094011143.db2.gz IEXLNNZRKJBDQB-LPHOPBHVSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000513217010 1094011150 /nfs/dbraw/zinc/01/11/50/1094011150.db2.gz IEXLNNZRKJBDQB-LPHOPBHVSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221864 1094018616 /nfs/dbraw/zinc/01/86/16/1094018616.db2.gz FIDILZLDNQIPQG-PTUXOGIPSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221864 1094018623 /nfs/dbraw/zinc/01/86/23/1094018623.db2.gz FIDILZLDNQIPQG-PTUXOGIPSA-N 2 1 352.522 4.143 20 0 FIADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000513340044 1094065510 /nfs/dbraw/zinc/06/55/10/1094065510.db2.gz GNAGGZSLMGIGDG-PTUXOGIPSA-N 2 1 351.538 4.464 20 0 FIADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000513340044 1094065519 /nfs/dbraw/zinc/06/55/19/1094065519.db2.gz GNAGGZSLMGIGDG-PTUXOGIPSA-N 2 1 351.538 4.464 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000513518779 1094178883 /nfs/dbraw/zinc/17/88/83/1094178883.db2.gz NYOJNHWFMDRHKW-DEOSSOPVSA-N 2 1 374.532 4.390 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(C(C)(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000513544978 1094205850 /nfs/dbraw/zinc/20/58/50/1094205850.db2.gz NNUDMEJHNGOFQJ-QUCCMNQESA-N 2 1 354.542 4.028 20 0 FIADMP CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513678615 1094269824 /nfs/dbraw/zinc/26/98/24/1094269824.db2.gz PVOGIMNQNKQHER-YPAWHYETSA-N 2 1 358.570 4.066 20 0 FIADMP CC(C)[N@H+](C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168037173 1094346956 /nfs/dbraw/zinc/34/69/56/1094346956.db2.gz XCRDOJRQEMMQHA-LGGPRVQUSA-N 2 1 357.586 4.408 20 0 FIADMP CC(C)[N@@H+](C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168037173 1094346968 /nfs/dbraw/zinc/34/69/68/1094346968.db2.gz XCRDOJRQEMMQHA-LGGPRVQUSA-N 3 1 357.586 4.408 20 0 FIADMP CC(C)[N@H+](C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168037173 1094346982 /nfs/dbraw/zinc/34/69/82/1094346982.db2.gz XCRDOJRQEMMQHA-LGGPRVQUSA-N 3 1 357.586 4.408 20 0 FIADMP C[N@@H+](CCc1c(F)cccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047207 1094454250 /nfs/dbraw/zinc/45/42/50/1094454250.db2.gz NKOGHOYAHSIYOA-UHFFFAOYSA-N 2 1 361.892 4.265 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000474624854 1094456185 /nfs/dbraw/zinc/45/61/85/1094456185.db2.gz YXQXGEBGAUSBNG-UHFFFAOYSA-N 2 1 360.542 4.128 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039914 1094480497 /nfs/dbraw/zinc/48/04/97/1094480497.db2.gz IRQKWXRKYSKLLI-DKQPQCJKSA-N 2 1 357.586 4.136 20 0 FIADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039914 1094480503 /nfs/dbraw/zinc/48/05/03/1094480503.db2.gz IRQKWXRKYSKLLI-DKQPQCJKSA-N 2 1 357.586 4.136 20 0 FIADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039914 1094480577 /nfs/dbraw/zinc/48/05/77/1094480577.db2.gz IRQKWXRKYSKLLI-DKQPQCJKSA-N 2 1 357.586 4.136 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474792643 1094628157 /nfs/dbraw/zinc/62/81/57/1094628157.db2.gz MIOHXDKXDPSGSJ-DLBZAZTESA-N 2 1 352.950 4.311 20 0 FIADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474890704 1094869822 /nfs/dbraw/zinc/86/98/22/1094869822.db2.gz VUPBEKVQWIPOEB-QZTJIDSGSA-N 2 1 364.961 4.457 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2c1cccc2Cl ZINC000420312046 1094878053 /nfs/dbraw/zinc/87/80/53/1094878053.db2.gz OBPNVTPOXBQBOA-KBXCAEBGSA-N 2 1 361.942 4.204 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2c1cccc2Cl ZINC000420312046 1094878069 /nfs/dbraw/zinc/87/80/69/1094878069.db2.gz OBPNVTPOXBQBOA-KBXCAEBGSA-N 2 1 361.942 4.204 20 0 FIADMP c1ccc(C[N@H+](CCc2ccc3ccccc3c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420320217 1094881295 /nfs/dbraw/zinc/88/12/95/1094881295.db2.gz YOTNIIQWXRBPCX-XMMPIXPASA-N 2 1 359.517 4.422 20 0 FIADMP Fc1cccc(F)c1-c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420337007 1094883192 /nfs/dbraw/zinc/88/31/92/1094883192.db2.gz MZCYGAIMXRMHPI-INIZCTEOSA-N 2 1 363.477 4.052 20 0 FIADMP Cc1nc([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)oc1-c1ccc(Cl)cc1 ZINC000420331685 1094892029 /nfs/dbraw/zinc/89/20/29/1094892029.db2.gz IUDHKAYHUROWIZ-BHYGNILZSA-N 2 1 359.901 4.296 20 0 FIADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551464 1095135772 /nfs/dbraw/zinc/13/57/72/1095135772.db2.gz JMFPAPRULWVHFO-UGKGYDQZSA-N 2 1 357.586 4.147 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000502274523 1095293684 /nfs/dbraw/zinc/29/36/84/1095293684.db2.gz NQCWDVIZCHCPTP-QFIPXVFZSA-N 2 1 368.521 4.351 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)C1 ZINC000502278021 1095295459 /nfs/dbraw/zinc/29/54/59/1095295459.db2.gz SSTOXVIQWUTIBB-KNQAVFIVSA-N 2 1 356.554 4.357 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443969050 1095367210 /nfs/dbraw/zinc/36/72/10/1095367210.db2.gz QZIGTPWVVQZNED-UHFFFAOYSA-N 2 1 357.445 4.294 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443976337 1095446564 /nfs/dbraw/zinc/44/65/64/1095446564.db2.gz DAOVQAURXMVCFB-UHFFFAOYSA-N 2 1 357.445 4.292 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443976337 1095446574 /nfs/dbraw/zinc/44/65/74/1095446574.db2.gz DAOVQAURXMVCFB-UHFFFAOYSA-N 2 1 357.445 4.292 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000502688442 1095701445 /nfs/dbraw/zinc/70/14/45/1095701445.db2.gz ZFDGCWVABCJIRB-SCTDSRPQSA-N 2 1 354.542 4.057 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000502688442 1095701453 /nfs/dbraw/zinc/70/14/53/1095701453.db2.gz ZFDGCWVABCJIRB-SCTDSRPQSA-N 2 1 354.542 4.057 20 0 FIADMP CC[N@@H+](CCCCn1ccnc1C)Cc1cc(Br)ccc1F ZINC000502691723 1095705418 /nfs/dbraw/zinc/70/54/18/1095705418.db2.gz KSPIJCMYINAJKP-UHFFFAOYSA-N 2 1 368.294 4.395 20 0 FIADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cc(Br)ccc1F ZINC000502691723 1095705429 /nfs/dbraw/zinc/70/54/29/1095705429.db2.gz KSPIJCMYINAJKP-UHFFFAOYSA-N 2 1 368.294 4.395 20 0 FIADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281952747 1095776689 /nfs/dbraw/zinc/77/66/89/1095776689.db2.gz FRFGAJNLIKLSGC-HZPDHXFCSA-N 2 1 356.514 4.446 20 0 FIADMP CSc1ccc(OCC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503433913 1096398578 /nfs/dbraw/zinc/39/85/78/1096398578.db2.gz JKSITEHFVBZHDM-KRWDZBQOSA-N 2 1 371.550 4.200 20 0 FIADMP COc1ccc(C2(C[NH2+][C@H](C)c3c[nH+]ccc3N)CCCCC2)cc1OC ZINC000422728263 1096463814 /nfs/dbraw/zinc/46/38/14/1096463814.db2.gz IYMCVXGMWHJBGK-MRXNPFEDSA-N 2 1 369.509 4.064 20 0 FIADMP c1ccc([C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccn2)cc1 ZINC000422763537 1096492081 /nfs/dbraw/zinc/49/20/81/1096492081.db2.gz OUSCXBVQMRUANK-XWGVYQGASA-N 2 1 371.484 4.017 20 0 FIADMP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422804870 1096495301 /nfs/dbraw/zinc/49/53/01/1096495301.db2.gz GDFBWFONRIBCNM-GPJHCHHRSA-N 2 1 350.506 4.298 20 0 FIADMP C[C@@H]([NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000422842742 1096508888 /nfs/dbraw/zinc/50/88/88/1096508888.db2.gz ZGRZFNVDAYRROQ-SECBINFHSA-N 2 1 360.672 4.184 20 0 FIADMP CCOCCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422892048 1096515982 /nfs/dbraw/zinc/51/59/82/1096515982.db2.gz XKYSUKHFENYHOI-LEWJYISDSA-N 2 1 360.542 4.065 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(O[C@H](C)CC(C)C)c1 ZINC000422871181 1096517361 /nfs/dbraw/zinc/51/73/61/1096517361.db2.gz CPYFYTDSDNKJAI-ZHHKINOHSA-N 2 1 374.569 4.055 20 0 FIADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893446 1096524868 /nfs/dbraw/zinc/52/48/68/1096524868.db2.gz QPOVVOJNPOSJAY-SRVKXCTJSA-N 2 1 368.344 4.349 20 0 FIADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422942998 1096531561 /nfs/dbraw/zinc/53/15/61/1096531561.db2.gz XIRCKKCOLXNYSL-WMZHIEFXSA-N 2 1 360.501 4.281 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000414705577 1096531810 /nfs/dbraw/zinc/53/18/10/1096531810.db2.gz FMYAAWYPQQDCNF-YLJYHZDGSA-N 2 1 372.557 4.090 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1Cl ZINC000422917432 1096532303 /nfs/dbraw/zinc/53/23/03/1096532303.db2.gz DWBNGYFQFRXAAP-QKMWGZLOSA-N 2 1 360.860 4.386 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1Cl ZINC000422917433 1096532632 /nfs/dbraw/zinc/53/26/32/1096532632.db2.gz DWBNGYFQFRXAAP-ROOHIHILSA-N 2 1 360.860 4.386 20 0 FIADMP COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422961317 1096539919 /nfs/dbraw/zinc/53/99/19/1096539919.db2.gz YWEUHIKAFFHVQZ-HXOBKFHXSA-N 2 1 361.489 4.298 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1)c1c[nH+]ccc1N ZINC000423009045 1096549269 /nfs/dbraw/zinc/54/92/69/1096549269.db2.gz BSTNBGLEVXBKNI-JKSUJKDBSA-N 2 1 359.473 4.335 20 0 FIADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423020007 1096551433 /nfs/dbraw/zinc/55/14/33/1096551433.db2.gz YFSTUJDAIZHCMN-TUFLPTIASA-N 2 1 356.897 4.253 20 0 FIADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423020005 1096551793 /nfs/dbraw/zinc/55/17/93/1096551793.db2.gz YFSTUJDAIZHCMN-BURNTYAHSA-N 2 1 356.897 4.253 20 0 FIADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423109676 1096584569 /nfs/dbraw/zinc/58/45/69/1096584569.db2.gz SWFIUUVWKMFJRF-BHIFYINESA-N 2 1 365.521 4.061 20 0 FIADMP C[C@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H]1C[NH3+] ZINC000414719002 1096589025 /nfs/dbraw/zinc/58/90/25/1096589025.db2.gz XENLKYXWYFLUOU-LAUBAEHRSA-N 2 1 372.557 4.042 20 0 FIADMP c1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2nc3ccccc3s2)cc1 ZINC000423156099 1096589795 /nfs/dbraw/zinc/58/97/95/1096589795.db2.gz MBRRIHSWZOSBPY-WMWLNJEOSA-N 2 1 363.530 4.453 20 0 FIADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000503950473 1096602024 /nfs/dbraw/zinc/60/20/24/1096602024.db2.gz UHFIVSARMDGUJI-LASHMREHSA-N 2 1 364.480 4.037 20 0 FIADMP CC(C)c1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000414720834 1096604866 /nfs/dbraw/zinc/60/48/66/1096604866.db2.gz DKUFWCYZMORLJW-IBGZPJMESA-N 2 1 355.551 4.411 20 0 FIADMP CC(C)c1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000414720834 1096604873 /nfs/dbraw/zinc/60/48/73/1096604873.db2.gz DKUFWCYZMORLJW-IBGZPJMESA-N 2 1 355.551 4.411 20 0 FIADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000423193604 1096613114 /nfs/dbraw/zinc/61/31/14/1096613114.db2.gz XMFYEQKIDHGAIN-GOSISDBHSA-N 2 1 362.315 4.065 20 0 FIADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423202814 1096615130 /nfs/dbraw/zinc/61/51/30/1096615130.db2.gz RFIKJBPPSDAEGX-OAQYLSRUSA-N 2 1 353.510 4.015 20 0 FIADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298609 1096644602 /nfs/dbraw/zinc/64/46/02/1096644602.db2.gz OTPPVXRSFRUNBR-ROUUACIJSA-N 2 1 369.347 4.024 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000423344878 1096646868 /nfs/dbraw/zinc/64/68/68/1096646868.db2.gz XDVDZCDARIVEIS-DLBZAZTESA-N 2 1 351.494 4.333 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1nc2c(s1)CCCC2 ZINC000423459969 1096689379 /nfs/dbraw/zinc/68/93/79/1096689379.db2.gz AOTNWQORMXQLIV-QILLFSRXSA-N 2 1 373.541 4.205 20 0 FIADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000423463670 1096690598 /nfs/dbraw/zinc/69/05/98/1096690598.db2.gz LMLJZNCQXZXBPE-IINYFYTJSA-N 2 1 368.344 4.269 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000423466623 1096691844 /nfs/dbraw/zinc/69/18/44/1096691844.db2.gz IMIOOIHWTYSPKM-NBHGPNQESA-N 2 1 363.480 4.418 20 0 FIADMP Cc1ccc([C@@H](NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C2CCC2)o1 ZINC000423580200 1096725978 /nfs/dbraw/zinc/72/59/78/1096725978.db2.gz XIPWQGMQVBFQCP-QFIPXVFZSA-N 2 1 367.537 4.012 20 0 FIADMP CO[C@@H](C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000425418157 1098563683 /nfs/dbraw/zinc/56/36/83/1098563683.db2.gz IURJDBSNCBGQRN-IBGZPJMESA-N 2 1 370.459 4.027 20 0 FIADMP CO[C@@H](C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000425418157 1098563686 /nfs/dbraw/zinc/56/36/86/1098563686.db2.gz IURJDBSNCBGQRN-IBGZPJMESA-N 2 1 370.459 4.027 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOC4(CCCC4)C2)C3)cc1 ZINC000245743297 1098707604 /nfs/dbraw/zinc/70/76/04/1098707604.db2.gz RYRZWWPQBCZTIA-YUMYIRISSA-N 2 1 354.538 4.263 20 0 FIADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533075799 1098741988 /nfs/dbraw/zinc/74/19/88/1098741988.db2.gz PMTGKRHOBWOHTA-CRAIPNDOSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533075799 1098742000 /nfs/dbraw/zinc/74/20/00/1098742000.db2.gz PMTGKRHOBWOHTA-CRAIPNDOSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075799 1098742014 /nfs/dbraw/zinc/74/20/14/1098742014.db2.gz PMTGKRHOBWOHTA-CRAIPNDOSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533075671 1098742852 /nfs/dbraw/zinc/74/28/52/1098742852.db2.gz WZNJINPVDNNXRH-APWZRJJASA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533075671 1098742864 /nfs/dbraw/zinc/74/28/64/1098742864.db2.gz WZNJINPVDNNXRH-APWZRJJASA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000533075671 1098742869 /nfs/dbraw/zinc/74/28/69/1098742869.db2.gz WZNJINPVDNNXRH-APWZRJJASA-N 2 1 368.443 4.076 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647897 1098803435 /nfs/dbraw/zinc/80/34/35/1098803435.db2.gz FDZJVKPRHORSAC-YPAWHYETSA-N 2 1 356.554 4.105 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647897 1098803449 /nfs/dbraw/zinc/80/34/49/1098803449.db2.gz FDZJVKPRHORSAC-YPAWHYETSA-N 2 1 356.554 4.105 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(OC)c1C ZINC000515710381 1098855108 /nfs/dbraw/zinc/85/51/08/1098855108.db2.gz IQELXSYJRXKXBP-UHFFFAOYSA-N 2 1 356.510 4.096 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436255127 1098870097 /nfs/dbraw/zinc/87/00/97/1098870097.db2.gz XCWWFNYSLJGSCK-INIZCTEOSA-N 2 1 366.534 4.453 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cncc(Br)c1 ZINC000578084185 1099305908 /nfs/dbraw/zinc/30/59/08/1099305908.db2.gz RWAJOSHBODEEOV-HUUCEWRRSA-N 2 1 354.336 4.149 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000161782146 1099536988 /nfs/dbraw/zinc/53/69/88/1099536988.db2.gz ULNOEQWMOQIRFB-MRXNPFEDSA-N 2 1 358.555 4.286 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000161891052 1099549895 /nfs/dbraw/zinc/54/98/95/1099549895.db2.gz CGLDKNUCYKWOLJ-MRXNPFEDSA-N 2 1 363.461 4.193 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000437086467 1099606474 /nfs/dbraw/zinc/60/64/74/1099606474.db2.gz RJPIYBMVUNZNCI-HGIWEUDGSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000437086467 1099606482 /nfs/dbraw/zinc/60/64/82/1099606482.db2.gz RJPIYBMVUNZNCI-HGIWEUDGSA-N 2 1 366.480 4.150 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125938 1099644975 /nfs/dbraw/zinc/64/49/75/1099644975.db2.gz HAPKXCNRQPQYTP-GHTZIAJQSA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125938 1099644979 /nfs/dbraw/zinc/64/49/79/1099644979.db2.gz HAPKXCNRQPQYTP-GHTZIAJQSA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125938 1099644984 /nfs/dbraw/zinc/64/49/84/1099644984.db2.gz HAPKXCNRQPQYTP-GHTZIAJQSA-N 2 1 352.526 4.012 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125938 1099644990 /nfs/dbraw/zinc/64/49/90/1099644990.db2.gz HAPKXCNRQPQYTP-GHTZIAJQSA-N 2 1 352.526 4.012 20 0 FIADMP C[C@@H]1c2cccn2CC[NH+]1CCCCCC[N@H+]1CCn2cccc2[C@H]1C ZINC000729815062 1099697638 /nfs/dbraw/zinc/69/76/38/1099697638.db2.gz NAWFDWDRBUZKDE-WOJBJXKFSA-N 2 1 354.542 4.303 20 0 FIADMP CCOCCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000508703565 1099857892 /nfs/dbraw/zinc/85/78/92/1099857892.db2.gz YWTAGFDSYRTLEB-IFMALSPDSA-N 2 1 358.570 4.474 20 0 FIADMP Cc1ccc([C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000508709536 1099877327 /nfs/dbraw/zinc/87/73/27/1099877327.db2.gz HSMJTJIAJZXKGI-OYDLWJJNSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709536 1099877351 /nfs/dbraw/zinc/87/73/51/1099877351.db2.gz HSMJTJIAJZXKGI-OYDLWJJNSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709536 1099877370 /nfs/dbraw/zinc/87/73/70/1099877370.db2.gz HSMJTJIAJZXKGI-OYDLWJJNSA-N 2 1 365.565 4.098 20 0 FIADMP C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713919 1099885956 /nfs/dbraw/zinc/88/59/56/1099885956.db2.gz GOOBVPBIKZZVJD-VJBMBRPKSA-N 2 1 352.522 4.000 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712591 1099902677 /nfs/dbraw/zinc/90/26/77/1099902677.db2.gz DDVFWYFSRCVUTK-LPHOPBHVSA-N 2 1 358.913 4.349 20 0 FIADMP COc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712591 1099902681 /nfs/dbraw/zinc/90/26/81/1099902681.db2.gz DDVFWYFSRCVUTK-LPHOPBHVSA-N 2 1 358.913 4.349 20 0 FIADMP C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716218 1099913383 /nfs/dbraw/zinc/91/33/83/1099913383.db2.gz KIZRRCNBGQWJAJ-OFNKIYASSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716218 1099913387 /nfs/dbraw/zinc/91/33/87/1099913387.db2.gz KIZRRCNBGQWJAJ-OFNKIYASSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716218 1099913391 /nfs/dbraw/zinc/91/33/91/1099913391.db2.gz KIZRRCNBGQWJAJ-OFNKIYASSA-N 3 1 369.597 4.141 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000237479259 1099916791 /nfs/dbraw/zinc/91/67/91/1099916791.db2.gz AJRYKSDLRNMWIH-GOSISDBHSA-N 2 1 368.521 4.062 20 0 FIADMP C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721442 1099937775 /nfs/dbraw/zinc/93/77/75/1099937775.db2.gz USOMYRFZJVVIBK-IRLDBZIGSA-N 2 1 351.538 4.013 20 0 FIADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721162 1099939580 /nfs/dbraw/zinc/93/95/80/1099939580.db2.gz UANVVRIKQWTLBG-NQSCKRDGSA-N 2 1 356.485 4.013 20 0 FIADMP C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722671 1099942203 /nfs/dbraw/zinc/94/22/03/1099942203.db2.gz YJVDMFLEUXLQJB-PXNSSMCTSA-N 2 1 365.496 4.350 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459399329 1100107470 /nfs/dbraw/zinc/10/74/70/1100107470.db2.gz YXPZJDYXPHIGCK-ROUUACIJSA-N 2 1 364.537 4.122 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(C)c1OC(F)F ZINC000536659454 1100116779 /nfs/dbraw/zinc/11/67/79/1100116779.db2.gz FFXVGPZSFLMDEG-SFHVURJKSA-N 2 1 352.469 4.355 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(C)c1OC(F)F ZINC000536659454 1100116781 /nfs/dbraw/zinc/11/67/81/1100116781.db2.gz FFXVGPZSFLMDEG-SFHVURJKSA-N 2 1 352.469 4.355 20 0 FIADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1C(F)(F)F ZINC000459425720 1100157799 /nfs/dbraw/zinc/15/77/99/1100157799.db2.gz LUVKJDBTPMGOPM-INIZCTEOSA-N 2 1 356.432 4.079 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000536673310 1100158391 /nfs/dbraw/zinc/15/83/91/1100158391.db2.gz NOQWAIUFRCFZSZ-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000536673310 1100158400 /nfs/dbraw/zinc/15/84/00/1100158400.db2.gz NOQWAIUFRCFZSZ-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000536673310 1100158415 /nfs/dbraw/zinc/15/84/15/1100158415.db2.gz NOQWAIUFRCFZSZ-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000536673310 1100158424 /nfs/dbraw/zinc/15/84/24/1100158424.db2.gz NOQWAIUFRCFZSZ-NRFANRHFSA-N 2 1 374.532 4.339 20 0 FIADMP CC[N@@H+](Cc1occc1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000536672839 1100158867 /nfs/dbraw/zinc/15/88/67/1100158867.db2.gz SOMTZOKGHHMJLF-UHFFFAOYSA-N 2 1 356.514 4.301 20 0 FIADMP Cc1ccc(C[NH+](C)CCC(C)CC[N@@H+](C)Cc2ccc(C)cn2)nc1 ZINC000664656859 1100206592 /nfs/dbraw/zinc/20/65/92/1100206592.db2.gz JVYQBPATLZVHHD-UHFFFAOYSA-N 2 1 354.542 4.074 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379619195 1100217860 /nfs/dbraw/zinc/21/78/60/1100217860.db2.gz BCYMFPDNAKCYGZ-BJLQDIEVSA-N 2 1 368.521 4.408 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379619195 1100217870 /nfs/dbraw/zinc/21/78/70/1100217870.db2.gz BCYMFPDNAKCYGZ-BJLQDIEVSA-N 2 1 368.521 4.408 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC ZINC000379622233 1100222360 /nfs/dbraw/zinc/22/23/60/1100222360.db2.gz GJFYEUBHJMBWOK-WIYYLYMNSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC ZINC000379622233 1100222369 /nfs/dbraw/zinc/22/23/69/1100222369.db2.gz GJFYEUBHJMBWOK-WIYYLYMNSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000379620785 1100223335 /nfs/dbraw/zinc/22/33/35/1100223335.db2.gz DNQYPVCLXRWIEX-NQIIRXRSSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000379620785 1100223343 /nfs/dbraw/zinc/22/33/43/1100223343.db2.gz DNQYPVCLXRWIEX-NQIIRXRSSA-N 2 1 368.521 4.237 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000379649049 1100254831 /nfs/dbraw/zinc/25/48/31/1100254831.db2.gz NPXJYXGHOLRGNI-HCLVMJGWSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CC[N@H+]1Cc1ccccc1 ZINC000379649049 1100254833 /nfs/dbraw/zinc/25/48/33/1100254833.db2.gz NPXJYXGHOLRGNI-HCLVMJGWSA-N 2 1 350.506 4.412 20 0 FIADMP Cc1noc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459517742 1100255818 /nfs/dbraw/zinc/25/58/18/1100255818.db2.gz FWZPPSALFOUYMV-OAQYLSRUSA-N 2 1 368.525 4.035 20 0 FIADMP c1ccc(C[NH+]2CCC([C@@H]3CCCCC[N@@H+]3C[C@@H]3CCOC3)CC2)cc1 ZINC000459517867 1100256595 /nfs/dbraw/zinc/25/65/95/1100256595.db2.gz GDGSFNVTLKZODY-GMAHTHKFSA-N 2 1 356.554 4.180 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@H]4CC[N@@H+](C)[C@H](C)C4)cc3)ccc2O1 ZINC000536842173 1100354513 /nfs/dbraw/zinc/35/45/13/1100354513.db2.gz WLQHAHIDKNDPLD-YVHKJVDXSA-N 2 1 350.506 4.249 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000536860368 1100376604 /nfs/dbraw/zinc/37/66/04/1100376604.db2.gz YZWLFHBEWJDTLU-FCEWJHQRSA-N 2 1 370.484 4.218 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000536876139 1100397402 /nfs/dbraw/zinc/39/74/02/1100397402.db2.gz LGUGFNDEQPRUMF-XXBNENTESA-N 2 1 352.522 4.128 20 0 FIADMP FC(F)(F)Oc1cccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000438058006 1100401449 /nfs/dbraw/zinc/40/14/49/1100401449.db2.gz LEKUOXGMPFTXLO-QGZVFWFLSA-N 2 1 356.432 4.078 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)[C@H](C)C1 ZINC000438189454 1100501229 /nfs/dbraw/zinc/50/12/29/1100501229.db2.gz KPGMLAPJYHKYJU-XBYSBRQOSA-N 2 1 358.570 4.223 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)sc2C1 ZINC000438357753 1100626853 /nfs/dbraw/zinc/62/68/53/1100626853.db2.gz NQSRBNBCXBVNOH-MOPGFXCFSA-N 2 1 369.578 4.411 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)sc2C1 ZINC000438357753 1100626857 /nfs/dbraw/zinc/62/68/57/1100626857.db2.gz NQSRBNBCXBVNOH-MOPGFXCFSA-N 2 1 369.578 4.411 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426022151 1100677170 /nfs/dbraw/zinc/67/71/70/1100677170.db2.gz NGBUQOWFMIPSDA-BWAGFHJFSA-N 2 1 364.533 4.053 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426025595 1100685835 /nfs/dbraw/zinc/68/58/35/1100685835.db2.gz XIHHRLGZCXAWTB-IIBYNOLFSA-N 2 1 368.912 4.450 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414944906 1100885929 /nfs/dbraw/zinc/88/59/29/1100885929.db2.gz HPOKXHWLGXAIJB-DOMZBBRYSA-N 2 1 357.361 4.180 20 0 FIADMP CCCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000518058506 1100890615 /nfs/dbraw/zinc/89/06/15/1100890615.db2.gz YHZSRIPMRMEEEV-UHFFFAOYSA-N 2 1 353.510 4.388 20 0 FIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000506343839 1100903803 /nfs/dbraw/zinc/90/38/03/1100903803.db2.gz YSSPHQHYSWTVRW-UHFFFAOYSA-N 2 1 360.933 4.045 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000506343839 1100903804 /nfs/dbraw/zinc/90/38/04/1100903804.db2.gz YSSPHQHYSWTVRW-UHFFFAOYSA-N 2 1 360.933 4.045 20 0 FIADMP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438829252 1100948764 /nfs/dbraw/zinc/94/87/64/1100948764.db2.gz ZJZTVZWMSMDEQF-WYZYGFAWSA-N 2 1 358.570 4.470 20 0 FIADMP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438829250 1100949131 /nfs/dbraw/zinc/94/91/31/1100949131.db2.gz ZJZTVZWMSMDEQF-SCZRWQTQSA-N 2 1 358.570 4.470 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nnc(C(C)C)s2)cc1 ZINC000426298716 1101223857 /nfs/dbraw/zinc/22/38/57/1101223857.db2.gz OPBZNAQBSHYAQB-CQSZACIVSA-N 2 1 355.511 4.049 20 0 FIADMP Brc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000426325184 1101259772 /nfs/dbraw/zinc/25/97/72/1101259772.db2.gz UMODVYFKWBLHCM-CVEARBPZSA-N 2 1 363.343 4.087 20 0 FIADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000261985116 1101279560 /nfs/dbraw/zinc/27/95/60/1101279560.db2.gz RVHILMDHJJQAPF-QGZVFWFLSA-N 2 1 372.472 4.066 20 0 FIADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1)CC(C)C ZINC000536887818 1101304564 /nfs/dbraw/zinc/30/45/64/1101304564.db2.gz BVYKMDXSGJAEOF-QGZVFWFLSA-N 2 1 350.551 4.334 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1)CC(C)C ZINC000536887818 1101304572 /nfs/dbraw/zinc/30/45/72/1101304572.db2.gz BVYKMDXSGJAEOF-QGZVFWFLSA-N 2 1 350.551 4.334 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000536891127 1101310617 /nfs/dbraw/zinc/31/06/17/1101310617.db2.gz AMWAWPXZJRTXHI-STSQHVNTSA-N 2 1 350.506 4.194 20 0 FIADMP O[C@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000537014270 1101397091 /nfs/dbraw/zinc/39/70/91/1101397091.db2.gz ILZOFEFYHORCQK-YADHBBJMSA-N 2 1 370.924 4.018 20 0 FIADMP O[C@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000537014270 1101397098 /nfs/dbraw/zinc/39/70/98/1101397098.db2.gz ILZOFEFYHORCQK-YADHBBJMSA-N 2 1 370.924 4.018 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000537203395 1101557447 /nfs/dbraw/zinc/55/74/47/1101557447.db2.gz ZTXDACVAZIXEOF-GOSISDBHSA-N 2 1 361.961 4.104 20 0 FIADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000537306201 1101629650 /nfs/dbraw/zinc/62/96/50/1101629650.db2.gz CUSVBFXTPHPNAU-PXAZEXFGSA-N 2 1 368.294 4.470 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000537306043 1101630904 /nfs/dbraw/zinc/63/09/04/1101630904.db2.gz BRPKJBGZDZIRBI-ORYQWCPZSA-N 2 1 370.537 4.414 20 0 FIADMP CN(c1ccccc1C[N@@H+](C)[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000506652515 1101685681 /nfs/dbraw/zinc/68/56/81/1101685681.db2.gz GIPUHDGKMZIBDU-XMMPIXPASA-N 2 1 363.549 4.336 20 0 FIADMP C[C@@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)[N@H+](C)Cc1ccccc1 ZINC000440324074 1102210735 /nfs/dbraw/zinc/21/07/35/1102210735.db2.gz FFIBGICWKUFXOQ-KRWDZBQOSA-N 2 1 366.534 4.205 20 0 FIADMP C[C@@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)[N@@H+](C)Cc1ccccc1 ZINC000440324074 1102210748 /nfs/dbraw/zinc/21/07/48/1102210748.db2.gz FFIBGICWKUFXOQ-KRWDZBQOSA-N 2 1 366.534 4.205 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C2CCC2)cc1 ZINC000187536666 1102276915 /nfs/dbraw/zinc/27/69/15/1102276915.db2.gz GVKGZISPZPPPQK-BJKOFHAPSA-N 2 1 364.533 4.193 20 0 FIADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C(=O)OC)cc1 ZINC000550782926 1102281865 /nfs/dbraw/zinc/28/18/65/1102281865.db2.gz BSDWOKIBEAJXAY-BSIFCXSSSA-N 2 1 358.526 4.167 20 0 FIADMP C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648506063 1102297027 /nfs/dbraw/zinc/29/70/27/1102297027.db2.gz QJDFWGKNZYGZFL-DOTOQJQBSA-N 2 1 369.896 4.481 20 0 FIADMP C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648506063 1102297038 /nfs/dbraw/zinc/29/70/38/1102297038.db2.gz QJDFWGKNZYGZFL-DOTOQJQBSA-N 2 1 369.896 4.481 20 0 FIADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000532442270 1102329487 /nfs/dbraw/zinc/32/94/87/1102329487.db2.gz GLBKPHOHMWADFJ-WMZOPIPTSA-N 2 1 369.534 4.134 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000550822208 1102407364 /nfs/dbraw/zinc/40/73/64/1102407364.db2.gz HFYPKWKOOZGFOR-GIOGAUJUSA-N 2 1 356.535 4.176 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000550822208 1102407374 /nfs/dbraw/zinc/40/73/74/1102407374.db2.gz HFYPKWKOOZGFOR-GIOGAUJUSA-N 2 1 356.535 4.176 20 0 FIADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000122178788 1102541481 /nfs/dbraw/zinc/54/14/81/1102541481.db2.gz PKZOZQKVKUKKSU-QGZVFWFLSA-N 2 1 365.562 4.104 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000122178788 1102541493 /nfs/dbraw/zinc/54/14/93/1102541493.db2.gz PKZOZQKVKUKKSU-QGZVFWFLSA-N 2 1 365.562 4.104 20 0 FIADMP c1ccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167974876 1102579482 /nfs/dbraw/zinc/57/94/82/1102579482.db2.gz CWAKYFCKQGEYTJ-NOTZXAQLSA-N 2 1 368.565 4.021 20 0 FIADMP COCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000550861102 1102645256 /nfs/dbraw/zinc/64/52/56/1102645256.db2.gz WETNHCIGGUAJLC-YPAWHYETSA-N 2 1 356.554 4.084 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252204 1102651797 /nfs/dbraw/zinc/65/17/97/1102651797.db2.gz OBMNHEZHULYOMR-ACRUOGEOSA-N 2 1 368.496 4.074 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC000550886296 1102658735 /nfs/dbraw/zinc/65/87/35/1102658735.db2.gz GUSWWWNTEQTLHE-MSOLQXFVSA-N 2 1 353.510 4.173 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1N(C)C ZINC000537648295 1102664654 /nfs/dbraw/zinc/66/46/54/1102664654.db2.gz YNLPAUWULDYMBO-ZJOUEHCJSA-N 2 1 351.538 4.456 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1N(C)C ZINC000537648295 1102664663 /nfs/dbraw/zinc/66/46/63/1102664663.db2.gz YNLPAUWULDYMBO-ZJOUEHCJSA-N 2 1 351.538 4.456 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257505 1102675289 /nfs/dbraw/zinc/67/52/89/1102675289.db2.gz LSLMDHQMYHFSFQ-FKBYEOEOSA-N 2 1 368.496 4.074 20 0 FIADMP CC[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000666657049 1102675663 /nfs/dbraw/zinc/67/56/63/1102675663.db2.gz KSJBPMYHIWELGI-YLJYHZDGSA-N 2 1 372.557 4.042 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257336 1102675743 /nfs/dbraw/zinc/67/57/43/1102675743.db2.gz LDTMPTKLHDWHAW-VABKMULXSA-N 2 1 364.533 4.243 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000537652435 1102728458 /nfs/dbraw/zinc/72/84/58/1102728458.db2.gz UXRWEUPQOAIUMZ-QUCCMNQESA-N 2 1 368.569 4.108 20 0 FIADMP COc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC2)cc1 ZINC001167978257 1102741946 /nfs/dbraw/zinc/74/19/46/1102741946.db2.gz NHDUNHXQIIEARJ-SEJPIABJSA-N 2 1 354.538 4.155 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000047 1102764283 /nfs/dbraw/zinc/76/42/83/1102764283.db2.gz HKNNDUXQPLBFJT-YUXAGFNASA-N 2 1 371.956 4.368 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000047 1102764294 /nfs/dbraw/zinc/76/42/94/1102764294.db2.gz HKNNDUXQPLBFJT-YUXAGFNASA-N 2 1 371.956 4.368 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](c2ccccc2)[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551013966 1102789214 /nfs/dbraw/zinc/78/92/14/1102789214.db2.gz NOGVGHSMPQAJKQ-CWBXHPNXSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551013966 1102789224 /nfs/dbraw/zinc/78/92/24/1102789224.db2.gz NOGVGHSMPQAJKQ-CWBXHPNXSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551013966 1102789231 /nfs/dbraw/zinc/78/92/31/1102789231.db2.gz NOGVGHSMPQAJKQ-CWBXHPNXSA-N 2 1 350.506 4.332 20 0 FIADMP COc1ccc(C[N@H+](CCCn2cc[nH+]c2C)C2CCCCC2)cc1OC ZINC000537685799 1102854486 /nfs/dbraw/zinc/85/44/86/1102854486.db2.gz VPYZMRNFITVEIX-UHFFFAOYSA-N 2 1 371.525 4.434 20 0 FIADMP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)C2CCCCC2)cc1OC ZINC000537685799 1102854499 /nfs/dbraw/zinc/85/44/99/1102854499.db2.gz VPYZMRNFITVEIX-UHFFFAOYSA-N 2 1 371.525 4.434 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551052281 1102865750 /nfs/dbraw/zinc/86/57/50/1102865750.db2.gz ZOATZPOLEZCGDM-QNWVGRARSA-N 2 1 367.512 4.220 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551052281 1102865762 /nfs/dbraw/zinc/86/57/62/1102865762.db2.gz ZOATZPOLEZCGDM-QNWVGRARSA-N 2 1 367.512 4.220 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000476817592 1102878395 /nfs/dbraw/zinc/87/83/95/1102878395.db2.gz HSRGWTMTRINZBQ-XMMPIXPASA-N 2 1 366.549 4.449 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551083867 1102901399 /nfs/dbraw/zinc/90/13/99/1102901399.db2.gz OCOIKVICTUQZSB-CZEIZJIKSA-N 2 1 368.521 4.196 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551083867 1102901408 /nfs/dbraw/zinc/90/14/08/1102901408.db2.gz OCOIKVICTUQZSB-CZEIZJIKSA-N 2 1 368.521 4.196 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)c(F)c3)CC2)nc(C)[nH+]1 ZINC000536624556 1102928898 /nfs/dbraw/zinc/92/88/98/1102928898.db2.gz OMMNHHVDWBTSDZ-ZDUSSCGKSA-N 2 1 362.880 4.206 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000506893234 1102947070 /nfs/dbraw/zinc/94/70/70/1102947070.db2.gz RZTRHVIKEASXJF-UHFFFAOYSA-N 2 1 368.949 4.301 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000551176102 1102948991 /nfs/dbraw/zinc/94/89/91/1102948991.db2.gz UOJALELOZIIAHO-AWDZXFJFSA-N 2 1 351.538 4.103 20 0 FIADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638748249 1102971577 /nfs/dbraw/zinc/97/15/77/1102971577.db2.gz KYZFPBZMKHWZTI-SJBKTWHCSA-N 2 1 354.538 4.436 20 0 FIADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638748249 1102971582 /nfs/dbraw/zinc/97/15/82/1102971582.db2.gz KYZFPBZMKHWZTI-SJBKTWHCSA-N 2 1 354.538 4.436 20 0 FIADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265354 1103024318 /nfs/dbraw/zinc/02/43/18/1103024318.db2.gz UBCBRZOUMSWCAD-NZQKXSOJSA-N 2 1 370.581 4.474 20 0 FIADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459382344 1103098783 /nfs/dbraw/zinc/09/87/83/1103098783.db2.gz DHSDRHOKKYZLMP-RRDBBVDCSA-N 2 1 362.517 4.495 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551723644 1103560920 /nfs/dbraw/zinc/56/09/20/1103560920.db2.gz OVURLOOXSOUJQV-UHFFFAOYSA-N 2 1 351.519 4.313 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551723644 1103560924 /nfs/dbraw/zinc/56/09/24/1103560924.db2.gz OVURLOOXSOUJQV-UHFFFAOYSA-N 2 1 351.519 4.313 20 0 FIADMP CCOc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc(Cl)c1OC ZINC000520205084 1104171111 /nfs/dbraw/zinc/17/11/11/1104171111.db2.gz SYLCACUSHHPGJD-INIZCTEOSA-N 2 1 368.949 4.349 20 0 FIADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520343993 1104285124 /nfs/dbraw/zinc/28/51/24/1104285124.db2.gz SRLYFAANSNFWQJ-TZIWHRDSSA-N 2 1 358.570 4.330 20 0 FIADMP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394961 1104329311 /nfs/dbraw/zinc/32/93/11/1104329311.db2.gz QFBIAHQGEOXWAT-IERDGZPVSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394961 1104329321 /nfs/dbraw/zinc/32/93/21/1104329321.db2.gz QFBIAHQGEOXWAT-IERDGZPVSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394961 1104329332 /nfs/dbraw/zinc/32/93/32/1104329332.db2.gz QFBIAHQGEOXWAT-IERDGZPVSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394961 1104329342 /nfs/dbraw/zinc/32/93/42/1104329342.db2.gz QFBIAHQGEOXWAT-IERDGZPVSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976680 1104484712 /nfs/dbraw/zinc/48/47/12/1104484712.db2.gz RZXJLUBFSBBHOK-DLBZAZTESA-N 2 1 359.901 4.207 20 0 FIADMP Cc1ccccc1O[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995736 1104557447 /nfs/dbraw/zinc/55/74/47/1104557447.db2.gz PFPFKPVJLJTQKR-IUPYZPJSSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1ccccc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995736 1104557458 /nfs/dbraw/zinc/55/74/58/1104557458.db2.gz PFPFKPVJLJTQKR-IUPYZPJSSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1ccccc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995736 1104557469 /nfs/dbraw/zinc/55/74/69/1104557469.db2.gz PFPFKPVJLJTQKR-IUPYZPJSSA-N 2 1 354.538 4.244 20 0 FIADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cc1 ZINC000536302057 1104636745 /nfs/dbraw/zinc/63/67/45/1104636745.db2.gz JNTSBWPSVTWULQ-FQEVSTJZSA-N 2 1 362.477 4.135 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1F ZINC000192688545 1104771740 /nfs/dbraw/zinc/77/17/40/1104771740.db2.gz YODXPYHVIFPDLP-UHFFFAOYSA-N 2 1 368.452 4.349 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000645390461 1104855440 /nfs/dbraw/zinc/85/54/40/1104855440.db2.gz ZZWIYEYIWIMNEB-DNQXCXABSA-N 2 1 365.565 4.452 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000645390461 1104855449 /nfs/dbraw/zinc/85/54/49/1104855449.db2.gz ZZWIYEYIWIMNEB-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000645390461 1104855458 /nfs/dbraw/zinc/85/54/58/1104855458.db2.gz ZZWIYEYIWIMNEB-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000645390461 1104855469 /nfs/dbraw/zinc/85/54/69/1104855469.db2.gz ZZWIYEYIWIMNEB-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000645390461 1104855478 /nfs/dbraw/zinc/85/54/78/1104855478.db2.gz ZZWIYEYIWIMNEB-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441492052 1104915495 /nfs/dbraw/zinc/91/54/95/1104915495.db2.gz UHYBIYCJHWZDJN-HXUWFJFHSA-N 2 1 360.542 4.052 20 0 FIADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441492052 1104915498 /nfs/dbraw/zinc/91/54/98/1104915498.db2.gz UHYBIYCJHWZDJN-HXUWFJFHSA-N 2 1 360.542 4.052 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427600327 1105029619 /nfs/dbraw/zinc/02/96/19/1105029619.db2.gz SSXSDZABSMWZOQ-GOSISDBHSA-N 2 1 355.448 4.188 20 0 FIADMP C[N@@H+](CCSc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441614498 1105031353 /nfs/dbraw/zinc/03/13/53/1105031353.db2.gz PWLNABHBXQSASE-IBGZPJMESA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441614498 1105031357 /nfs/dbraw/zinc/03/13/57/1105031357.db2.gz PWLNABHBXQSASE-IBGZPJMESA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441614498 1105031368 /nfs/dbraw/zinc/03/13/68/1105031368.db2.gz PWLNABHBXQSASE-IBGZPJMESA-N 2 1 358.526 4.372 20 0 FIADMP COC(=O)c1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168008146 1105163832 /nfs/dbraw/zinc/16/38/32/1105163832.db2.gz CWZBBEZYYHKKJQ-QZTJIDSGSA-N 2 1 366.505 4.004 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000427713941 1105255932 /nfs/dbraw/zinc/25/59/32/1105255932.db2.gz SEAAVSUVWWLAQJ-SFHVURJKSA-N 2 1 353.432 4.084 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000427866784 1105304070 /nfs/dbraw/zinc/30/40/70/1105304070.db2.gz MIOPJNCBRNHOJK-PXNSSMCTSA-N 2 1 355.551 4.194 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000427866784 1105304076 /nfs/dbraw/zinc/30/40/76/1105304076.db2.gz MIOPJNCBRNHOJK-PXNSSMCTSA-N 2 1 355.551 4.194 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000520793176 1105357313 /nfs/dbraw/zinc/35/73/13/1105357313.db2.gz QXRMXHLQMQCING-JOCHJYFZSA-N 2 1 373.585 4.040 20 0 FIADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C)c1O ZINC000390649038 1106737933 /nfs/dbraw/zinc/73/79/33/1106737933.db2.gz MYHNFPMXYPAWAG-FRIKZZABSA-N 2 1 350.506 4.294 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(-c5ccncc5)c4)C[C@@H]3C2)cc1 ZINC000475353758 1106748340 /nfs/dbraw/zinc/74/83/40/1106748340.db2.gz LEQLBVAZQPVLMX-PLQXJYEYSA-N 2 1 369.512 4.312 20 0 FIADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(-c5ccncc5)c4)C[C@@H]3C2)cc1 ZINC000475353758 1106748353 /nfs/dbraw/zinc/74/83/53/1106748353.db2.gz LEQLBVAZQPVLMX-PLQXJYEYSA-N 2 1 369.512 4.312 20 0 FIADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(-c5ccncc5)c4)C[C@@H]3C2)cc1 ZINC000475353758 1106748365 /nfs/dbraw/zinc/74/83/65/1106748365.db2.gz LEQLBVAZQPVLMX-PLQXJYEYSA-N 2 1 369.512 4.312 20 0 FIADMP C[C@@H]1CC([N@H+]2CC[C@H](COCC3CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064251 1106854382 /nfs/dbraw/zinc/85/43/82/1106854382.db2.gz PLVFFGSHRNMPML-KNKQGSTJSA-N 2 1 356.554 4.177 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cnccn2)C[C@H](C)N1Cc1ccccc1 ZINC001168065254 1106903466 /nfs/dbraw/zinc/90/34/66/1106903466.db2.gz VFHJIHIGCNZTAS-BAYUQKDNSA-N 2 1 350.510 4.055 20 0 FIADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccc(Br)cc12)c1ccco1 ZINC000301164821 1106950534 /nfs/dbraw/zinc/95/05/34/1106950534.db2.gz GZASZNKXGPGHHT-INIZCTEOSA-N 2 1 360.255 4.305 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000451167389 1106956490 /nfs/dbraw/zinc/95/64/90/1106956490.db2.gz RXGCHHSWPDMXGN-UHFFFAOYSA-N 2 1 358.486 4.287 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)O1 ZINC000451171860 1106958273 /nfs/dbraw/zinc/95/82/73/1106958273.db2.gz ULFIRVXSCDESCE-DIHCPRAOSA-N 2 1 362.945 4.409 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)O1 ZINC000451171862 1106958567 /nfs/dbraw/zinc/95/85/67/1106958567.db2.gz ULFIRVXSCDESCE-NHOKQLRBSA-N 2 1 362.945 4.409 20 0 FIADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000530518782 1107097587 /nfs/dbraw/zinc/09/75/87/1107097587.db2.gz BCXMBHJFPVLDFU-FZKQIMNGSA-N 2 1 362.315 4.028 20 0 FIADMP C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000530518783 1107098059 /nfs/dbraw/zinc/09/80/59/1107098059.db2.gz BCXMBHJFPVLDFU-SCLBCKFNSA-N 2 1 362.315 4.028 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000301780581 1107147071 /nfs/dbraw/zinc/14/70/71/1107147071.db2.gz IQPVQJJJURUEDT-AWEZNQCLSA-N 2 1 351.416 4.422 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)CC[N@H+]1C ZINC000152433898 1107433191 /nfs/dbraw/zinc/43/31/91/1107433191.db2.gz BLFCHZNKVUXLLN-GDBMZVCRSA-N 2 1 371.352 4.114 20 0 FIADMP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2ccccc2[nH+]1 ZINC000302880771 1107474717 /nfs/dbraw/zinc/47/47/17/1107474717.db2.gz INWHJLSIWAOJCW-FQEVSTJZSA-N 2 1 361.489 4.112 20 0 FIADMP CC[NH+]1CCC([N@H+](C)CC/C=C\c2ccc(Br)cc2)CC1 ZINC000531140648 1107589313 /nfs/dbraw/zinc/58/93/13/1107589313.db2.gz FFLSPWGTTGHBGN-XQRVVYSFSA-N 2 1 351.332 4.269 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)CC/C=C\c2ccc(Br)cc2)CC1 ZINC000531140648 1107589325 /nfs/dbraw/zinc/58/93/25/1107589325.db2.gz FFLSPWGTTGHBGN-XQRVVYSFSA-N 2 1 351.332 4.269 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000531707114 1108085706 /nfs/dbraw/zinc/08/57/06/1108085706.db2.gz ZPJDGOIDLNDVSM-SUNYJGFJSA-N 2 1 358.448 4.311 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000531707114 1108085720 /nfs/dbraw/zinc/08/57/20/1108085720.db2.gz ZPJDGOIDLNDVSM-SUNYJGFJSA-N 2 1 358.448 4.311 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712994 1108092257 /nfs/dbraw/zinc/09/22/57/1108092257.db2.gz UYEWWFNQRNOPHK-LESCRADOSA-N 2 1 358.448 4.103 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712994 1108092273 /nfs/dbraw/zinc/09/22/73/1108092273.db2.gz UYEWWFNQRNOPHK-LESCRADOSA-N 2 1 358.448 4.103 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692701 1108096918 /nfs/dbraw/zinc/09/69/18/1108096918.db2.gz VUNSVBBOLJTPGQ-NYDSKATKSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692701 1108096933 /nfs/dbraw/zinc/09/69/33/1108096933.db2.gz VUNSVBBOLJTPGQ-NYDSKATKSA-N 2 1 368.521 4.060 20 0 FIADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000531725773 1108098741 /nfs/dbraw/zinc/09/87/41/1108098741.db2.gz HITVRBMOXROEQA-JOCHJYFZSA-N 2 1 372.940 4.324 20 0 FIADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)[N@@H+](C)Cc1ccccc1 ZINC000531725757 1108099325 /nfs/dbraw/zinc/09/93/25/1108099325.db2.gz BVGTZUNCEDYKDZ-ROUUACIJSA-N 2 1 365.521 4.133 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453102749 1108171453 /nfs/dbraw/zinc/17/14/53/1108171453.db2.gz BFEWLLLRWZAOKV-IAGOWNOFSA-N 2 1 350.466 4.366 20 0 FIADMP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000453128284 1108205812 /nfs/dbraw/zinc/20/58/12/1108205812.db2.gz VAZXKLDHGSVMPV-HXUWFJFHSA-N 2 1 374.960 4.409 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453140914 1108217267 /nfs/dbraw/zinc/21/72/67/1108217267.db2.gz ZTURPJIYYHUWLG-PMACEKPBSA-N 2 1 361.917 4.005 20 0 FIADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453169882 1108244234 /nfs/dbraw/zinc/24/42/34/1108244234.db2.gz KRMCEKXEQBNLFW-VABKMULXSA-N 2 1 374.532 4.138 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453205612 1108275068 /nfs/dbraw/zinc/27/50/68/1108275068.db2.gz HAJWMPHFCRIWCQ-HOIMLPCSSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208585 1108277727 /nfs/dbraw/zinc/27/77/27/1108277727.db2.gz CHGGIICGGLSGCJ-TZIWHRDSSA-N 2 1 374.532 4.260 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453211783 1108282597 /nfs/dbraw/zinc/28/25/97/1108282597.db2.gz OCNRMGNRMQWWOB-KZNAEPCWSA-N 2 1 352.444 4.362 20 0 FIADMP Cc1ccc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)cn2c1 ZINC000531909705 1108359557 /nfs/dbraw/zinc/35/95/57/1108359557.db2.gz KGCALTKYBOHUQL-IBGZPJMESA-N 2 1 354.542 4.119 20 0 FIADMP Cc1ccc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cn2c1 ZINC000531909705 1108359572 /nfs/dbraw/zinc/35/95/72/1108359572.db2.gz KGCALTKYBOHUQL-IBGZPJMESA-N 2 1 354.542 4.119 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000453321990 1108414001 /nfs/dbraw/zinc/41/40/01/1108414001.db2.gz QCOWUSCDQGQZFF-ITAUSPCMSA-N 2 1 356.554 4.369 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000531951021 1108438429 /nfs/dbraw/zinc/43/84/29/1108438429.db2.gz ZIBAPACZYPKWET-OALUTQOASA-N 2 1 368.521 4.075 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000531951021 1108438443 /nfs/dbraw/zinc/43/84/43/1108438443.db2.gz ZIBAPACZYPKWET-OALUTQOASA-N 2 1 368.521 4.075 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000531956395 1108444670 /nfs/dbraw/zinc/44/46/70/1108444670.db2.gz GVHXFIUSJUPEFV-RVKKMQEKSA-N 2 1 365.359 4.189 20 0 FIADMP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(O)CCCC1 ZINC000453376408 1108496475 /nfs/dbraw/zinc/49/64/75/1108496475.db2.gz IFGHOKAOXNUKIL-MZADTFQBSA-N 2 1 356.554 4.103 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453432458 1108555007 /nfs/dbraw/zinc/55/50/07/1108555007.db2.gz SAOCYKZUERRACG-CWJKEVGVSA-N 2 1 370.562 4.468 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453432458 1108555023 /nfs/dbraw/zinc/55/50/23/1108555023.db2.gz SAOCYKZUERRACG-CWJKEVGVSA-N 2 1 370.562 4.468 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453432461 1108555732 /nfs/dbraw/zinc/55/57/32/1108555732.db2.gz SAOCYKZUERRACG-FYZZASKESA-N 2 1 370.562 4.468 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453432461 1108555742 /nfs/dbraw/zinc/55/57/42/1108555742.db2.gz SAOCYKZUERRACG-FYZZASKESA-N 2 1 370.562 4.468 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cn2)c1 ZINC000532202842 1108708018 /nfs/dbraw/zinc/70/80/18/1108708018.db2.gz SCPLPBZUYLKPKN-QWFCFKBJSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cn2)c1 ZINC000532202842 1108708028 /nfs/dbraw/zinc/70/80/28/1108708028.db2.gz SCPLPBZUYLKPKN-QWFCFKBJSA-N 2 1 353.510 4.309 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000532215692 1108715877 /nfs/dbraw/zinc/71/58/77/1108715877.db2.gz VUWIIHRBJWZARK-YVEFUNNKSA-N 2 1 369.372 4.306 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCC(C)(C)C2)c1)C1CCOCC1 ZINC000532265227 1108736831 /nfs/dbraw/zinc/73/68/31/1108736831.db2.gz JVTYYSJOCWYXPM-FQEVSTJZSA-N 2 1 374.569 4.235 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000524750886 1109137622 /nfs/dbraw/zinc/13/76/22/1109137622.db2.gz DVTPMUZUUMXOTN-SIKLNZKXSA-N 2 1 357.586 4.145 20 0 FIADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525267188 1109324911 /nfs/dbraw/zinc/32/49/11/1109324911.db2.gz OFLQPXBLEQCHBT-QFIPXVFZSA-N 2 1 371.613 4.201 20 0 FIADMP Clc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000525307402 1109334054 /nfs/dbraw/zinc/33/40/54/1109334054.db2.gz UYCKIFGNXQBGHF-UHFFFAOYSA-N 2 1 357.325 4.070 20 0 FIADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428463714 1109407068 /nfs/dbraw/zinc/40/70/68/1109407068.db2.gz PTQNLNLZXMGBPV-BDKRGJGYSA-N 2 1 358.570 4.064 20 0 FIADMP C[N@@H+](CC/C=C/c1ccc(Br)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525518130 1109410568 /nfs/dbraw/zinc/41/05/68/1109410568.db2.gz YSCXEGCPAHMOLH-ZVVFDCPKSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C/c1ccc(Br)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525518130 1109410569 /nfs/dbraw/zinc/41/05/69/1109410569.db2.gz YSCXEGCPAHMOLH-ZVVFDCPKSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C/c1ccc(Br)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525518130 1109410572 /nfs/dbraw/zinc/41/05/72/1109410572.db2.gz YSCXEGCPAHMOLH-ZVVFDCPKSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000447523854 1109559989 /nfs/dbraw/zinc/55/99/89/1109559989.db2.gz WULKSGYXNMLQTL-KOUNCHBCSA-N 2 1 355.570 4.036 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000447530639 1109563425 /nfs/dbraw/zinc/56/34/25/1109563425.db2.gz NDOUSWWDFJAKNI-SJORKVTESA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000447530639 1109563428 /nfs/dbraw/zinc/56/34/28/1109563428.db2.gz NDOUSWWDFJAKNI-SJORKVTESA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000447530633 1109563451 /nfs/dbraw/zinc/56/34/51/1109563451.db2.gz NDOUSWWDFJAKNI-DLBZAZTESA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000447530633 1109563456 /nfs/dbraw/zinc/56/34/56/1109563456.db2.gz NDOUSWWDFJAKNI-DLBZAZTESA-N 2 1 370.493 4.149 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447596718 1109591177 /nfs/dbraw/zinc/59/11/77/1109591177.db2.gz CLBLVHIHZKNWGO-VQQMMKBISA-N 2 1 366.480 4.435 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447596718 1109591181 /nfs/dbraw/zinc/59/11/81/1109591181.db2.gz CLBLVHIHZKNWGO-VQQMMKBISA-N 2 1 366.480 4.435 20 0 FIADMP Fc1ccccc1NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603299 1109599796 /nfs/dbraw/zinc/59/97/96/1109599796.db2.gz XJQMAFYDVFKXAU-WKCHPHFGSA-N 2 1 367.512 4.413 20 0 FIADMP CC(C)(C)c1cnc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000447933708 1109682168 /nfs/dbraw/zinc/68/21/68/1109682168.db2.gz XSOYCLNYOTXKIC-SFHVURJKSA-N 2 1 357.567 4.095 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000527100263 1109692521 /nfs/dbraw/zinc/69/25/21/1109692521.db2.gz NVEPWWMIGQOZEZ-VBKZILBWSA-N 2 1 351.425 4.494 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448021971 1109695518 /nfs/dbraw/zinc/69/55/18/1109695518.db2.gz LUSOIOCQVBCUOF-ZHHKINOHSA-N 2 1 366.553 4.089 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000448021971 1109695520 /nfs/dbraw/zinc/69/55/20/1109695520.db2.gz LUSOIOCQVBCUOF-ZHHKINOHSA-N 2 1 366.553 4.089 20 0 FIADMP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059316 1109711279 /nfs/dbraw/zinc/71/12/79/1109711279.db2.gz YPEZMNCPXPQBSV-QFBILLFUSA-N 2 1 351.494 4.005 20 0 FIADMP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059316 1109711282 /nfs/dbraw/zinc/71/12/82/1109711282.db2.gz YPEZMNCPXPQBSV-QFBILLFUSA-N 2 1 351.494 4.005 20 0 FIADMP Cc1oc(-c2ccsc2)nc1CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420610 1109744684 /nfs/dbraw/zinc/74/46/84/1109744684.db2.gz JQHKOPJRPZAIHR-ZBFHGGJFSA-N 2 1 359.539 4.454 20 0 FIADMP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000527792306 1109824700 /nfs/dbraw/zinc/82/47/00/1109824700.db2.gz VDPGJSDCGVNPEK-UHFFFAOYSA-N 2 1 356.476 4.494 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527860043 1109842027 /nfs/dbraw/zinc/84/20/27/1109842027.db2.gz UPELRDYGKOFPJQ-GHMZBOCLSA-N 2 1 372.257 4.219 20 0 FIADMP COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OC)c1 ZINC000527921856 1109862919 /nfs/dbraw/zinc/86/29/19/1109862919.db2.gz VOWLJFCYQBKRIG-OPAMFIHVSA-N 2 1 365.477 4.228 20 0 FIADMP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000527999387 1109881417 /nfs/dbraw/zinc/88/14/17/1109881417.db2.gz DHKQNNVBBKMIAC-HXUWFJFHSA-N 2 1 371.569 4.082 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(CCc3ccccc3)s2)[C@H](C)C1 ZINC000449028946 1109959523 /nfs/dbraw/zinc/95/95/23/1109959523.db2.gz NHULIUGHTDNGAC-XLIONFOSSA-N 2 1 357.567 4.090 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049881 1109968289 /nfs/dbraw/zinc/96/82/89/1109968289.db2.gz SNAGKKZNCHSUSC-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049881 1109968291 /nfs/dbraw/zinc/96/82/91/1109968291.db2.gz SNAGKKZNCHSUSC-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049881 1109968294 /nfs/dbraw/zinc/96/82/94/1109968294.db2.gz SNAGKKZNCHSUSC-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049881 1109968296 /nfs/dbraw/zinc/96/82/96/1109968296.db2.gz SNAGKKZNCHSUSC-SUMWQHHRSA-N 2 1 363.477 4.004 20 0 FIADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1F ZINC000449076192 1109973276 /nfs/dbraw/zinc/97/32/76/1109973276.db2.gz WQNPTUBGZMSIEZ-QGZVFWFLSA-N 2 1 356.485 4.020 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccnn3C3CCCC3)C2)c1 ZINC000449106391 1109976953 /nfs/dbraw/zinc/97/69/53/1109976953.db2.gz LRLPMUGUEGLVHN-QGZVFWFLSA-N 2 1 358.555 4.062 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccnn3C3CCCC3)C2)c1 ZINC000449106391 1109976954 /nfs/dbraw/zinc/97/69/54/1109976954.db2.gz LRLPMUGUEGLVHN-QGZVFWFLSA-N 2 1 358.555 4.062 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000449118874 1109980476 /nfs/dbraw/zinc/98/04/76/1109980476.db2.gz ZRLJBMSWLGWVRC-ROUUACIJSA-N 2 1 365.606 4.045 20 0 FIADMP COC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143887 1109984740 /nfs/dbraw/zinc/98/47/40/1109984740.db2.gz YANZVHBNWQQUNB-WMZHIEFXSA-N 2 1 352.522 4.059 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2coc3ccccc23)[C@@H](C)C1 ZINC000449143864 1109984779 /nfs/dbraw/zinc/98/47/79/1109984779.db2.gz XXCJBXMDBNSNOS-WFXMLNOXSA-N 2 1 358.526 4.090 20 0 FIADMP COC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143885 1109985102 /nfs/dbraw/zinc/98/51/02/1109985102.db2.gz YANZVHBNWQQUNB-AUSIDOKSSA-N 2 1 352.522 4.059 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449169373 1109987462 /nfs/dbraw/zinc/98/74/62/1109987462.db2.gz GRWLWIIIAJYELL-OLZOCXBDSA-N 2 1 351.466 4.051 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449214470 1109996833 /nfs/dbraw/zinc/99/68/33/1109996833.db2.gz WTOVJMALVMAZEM-GMAHTHKFSA-N 2 1 371.613 4.040 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449214470 1109996834 /nfs/dbraw/zinc/99/68/34/1109996834.db2.gz WTOVJMALVMAZEM-GMAHTHKFSA-N 3 1 371.613 4.040 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449214470 1109996836 /nfs/dbraw/zinc/99/68/36/1109996836.db2.gz WTOVJMALVMAZEM-GMAHTHKFSA-N 3 1 371.613 4.040 20 0 FIADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449263192 1110017903 /nfs/dbraw/zinc/01/79/03/1110017903.db2.gz HKDZCFVOTZCZLN-INIZCTEOSA-N 2 1 355.507 4.152 20 0 FIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)CC1 ZINC000449325909 1110026519 /nfs/dbraw/zinc/02/65/19/1110026519.db2.gz QKYUKXHGODEGBM-FQEVSTJZSA-N 2 1 369.578 4.092 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000449330059 1110028385 /nfs/dbraw/zinc/02/83/85/1110028385.db2.gz RLBZZTPZVSKBSM-UHFFFAOYSA-N 2 1 372.601 4.451 20 0 FIADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343042 1110034880 /nfs/dbraw/zinc/03/48/80/1110034880.db2.gz HFXDGLUAUMKDHU-TZIWHRDSSA-N 2 1 358.570 4.330 20 0 FIADMP Cn1nc2c(c1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CCCC2 ZINC000449334683 1110039733 /nfs/dbraw/zinc/03/97/33/1110039733.db2.gz GHWXNZQBDVSGBZ-UHFFFAOYSA-N 2 1 360.590 4.068 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000449542306 1110100472 /nfs/dbraw/zinc/10/04/72/1110100472.db2.gz QEPOCGOZVGMBBX-VXKWHMMOSA-N 2 1 367.537 4.050 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449734541 1110158818 /nfs/dbraw/zinc/15/88/18/1110158818.db2.gz RUQLOLYVOFZSSY-FXAWDEMLSA-N 2 1 350.934 4.067 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000538446052 1111144342 /nfs/dbraw/zinc/14/43/42/1111144342.db2.gz BLPXUCBVWZGSOD-UHFFFAOYSA-N 2 1 356.897 4.271 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000538446601 1111144934 /nfs/dbraw/zinc/14/49/34/1111144934.db2.gz IWKGGUCYEKPDNQ-UHFFFAOYSA-N 2 1 372.516 4.199 20 0 FIADMP CCC(CC)(C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(OC)c(OC)c1 ZINC000461401972 1111200834 /nfs/dbraw/zinc/20/08/34/1111200834.db2.gz AXYZGYLBFAHJIA-UHFFFAOYSA-N 2 1 371.525 4.012 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@@H+]1C ZINC000538717849 1111260298 /nfs/dbraw/zinc/26/02/98/1111260298.db2.gz DQFBPLBMSVJXRB-PXNSSMCTSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000538717849 1111260305 /nfs/dbraw/zinc/26/03/05/1111260305.db2.gz DQFBPLBMSVJXRB-PXNSSMCTSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717849 1111260309 /nfs/dbraw/zinc/26/03/09/1111260309.db2.gz DQFBPLBMSVJXRB-PXNSSMCTSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717849 1111260313 /nfs/dbraw/zinc/26/03/13/1111260313.db2.gz DQFBPLBMSVJXRB-PXNSSMCTSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@@H+]1C ZINC000538717848 1111260563 /nfs/dbraw/zinc/26/05/63/1111260563.db2.gz DQFBPLBMSVJXRB-FXAWDEMLSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000538717848 1111260565 /nfs/dbraw/zinc/26/05/65/1111260565.db2.gz DQFBPLBMSVJXRB-FXAWDEMLSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717848 1111260566 /nfs/dbraw/zinc/26/05/66/1111260566.db2.gz DQFBPLBMSVJXRB-FXAWDEMLSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717848 1111260569 /nfs/dbraw/zinc/26/05/69/1111260569.db2.gz DQFBPLBMSVJXRB-FXAWDEMLSA-N 2 1 356.485 4.319 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccccc12 ZINC000538799120 1111295385 /nfs/dbraw/zinc/29/53/85/1111295385.db2.gz OKCUGSZJBCRHTK-PGRDOPGGSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc12 ZINC000538799120 1111295387 /nfs/dbraw/zinc/29/53/87/1111295387.db2.gz OKCUGSZJBCRHTK-PGRDOPGGSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ccccc12 ZINC000538799119 1111295545 /nfs/dbraw/zinc/29/55/45/1111295545.db2.gz OKCUGSZJBCRHTK-GCJKJVERSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc12 ZINC000538799119 1111295550 /nfs/dbraw/zinc/29/55/50/1111295550.db2.gz OKCUGSZJBCRHTK-GCJKJVERSA-N 2 1 350.506 4.297 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1)CC1CC1 ZINC000538951845 1111356540 /nfs/dbraw/zinc/35/65/40/1111356540.db2.gz ZLCHVAUWZCSHEM-UHFFFAOYSA-N 2 1 359.489 4.301 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)oc2cc1C ZINC000539059912 1111405070 /nfs/dbraw/zinc/40/50/70/1111405070.db2.gz PDVUQJFVHQWUTO-FFZOFVMBSA-N 2 1 356.510 4.078 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)oc2cc1C ZINC000539059912 1111405073 /nfs/dbraw/zinc/40/50/73/1111405073.db2.gz PDVUQJFVHQWUTO-FFZOFVMBSA-N 2 1 356.510 4.078 20 0 FIADMP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000539065757 1111415574 /nfs/dbraw/zinc/41/55/74/1111415574.db2.gz KMMLLDWPWJKXOZ-VGOFRKELSA-N 2 1 356.485 4.156 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000539159280 1111454857 /nfs/dbraw/zinc/45/48/57/1111454857.db2.gz NQRIOTYOEHKUDX-JXFKEZNVSA-N 2 1 359.514 4.332 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000539305005 1111513852 /nfs/dbraw/zinc/51/38/52/1111513852.db2.gz ZDTIFCXGSGBYLM-GOSISDBHSA-N 2 1 351.332 4.364 20 0 FIADMP Cc1ccc2nc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)cn2c1 ZINC000552046778 1111556990 /nfs/dbraw/zinc/55/69/90/1111556990.db2.gz QYAOHNFLZHDMOC-UHFFFAOYSA-N 2 1 362.521 4.176 20 0 FIADMP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000552087532 1111569534 /nfs/dbraw/zinc/56/95/34/1111569534.db2.gz KNJGIVWMHCWKAF-OEMFJLHTSA-N 2 1 363.549 4.213 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)[C@H](C)C1 ZINC000552089863 1111570674 /nfs/dbraw/zinc/57/06/74/1111570674.db2.gz XPEAXGPLEBLKSU-KGLIPLIRSA-N 2 1 371.388 4.252 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)CC1 ZINC000552092409 1111572864 /nfs/dbraw/zinc/57/28/64/1111572864.db2.gz SRPJMXGPMDKRRR-FQEVSTJZSA-N 2 1 369.578 4.015 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000552099309 1111585403 /nfs/dbraw/zinc/58/54/03/1111585403.db2.gz DSOQLZXNMQBHDG-ZIPUMODLSA-N 2 1 360.505 4.409 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477869547 1111591127 /nfs/dbraw/zinc/59/11/27/1111591127.db2.gz XUSZAONIWSWPDE-HSMVNMDESA-N 2 1 354.325 4.336 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000478036671 1111650065 /nfs/dbraw/zinc/65/00/65/1111650065.db2.gz UNHAQZJZJSMMPG-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000478036671 1111650069 /nfs/dbraw/zinc/65/00/69/1111650069.db2.gz UNHAQZJZJSMMPG-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000478036671 1111650070 /nfs/dbraw/zinc/65/00/70/1111650070.db2.gz UNHAQZJZJSMMPG-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037891 1111650876 /nfs/dbraw/zinc/65/08/76/1111650876.db2.gz AVEOHYCJBPARAI-OAQYLSRUSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037891 1111650878 /nfs/dbraw/zinc/65/08/78/1111650878.db2.gz AVEOHYCJBPARAI-OAQYLSRUSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037891 1111650882 /nfs/dbraw/zinc/65/08/82/1111650882.db2.gz AVEOHYCJBPARAI-OAQYLSRUSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037891 1111650884 /nfs/dbraw/zinc/65/08/84/1111650884.db2.gz AVEOHYCJBPARAI-OAQYLSRUSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037891 1111650886 /nfs/dbraw/zinc/65/08/86/1111650886.db2.gz AVEOHYCJBPARAI-OAQYLSRUSA-N 2 1 366.549 4.456 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552527117 1111739282 /nfs/dbraw/zinc/73/92/82/1111739282.db2.gz YZMNLSBCSYFWOF-HXUWFJFHSA-N 2 1 371.569 4.057 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000478316716 1111743093 /nfs/dbraw/zinc/74/30/93/1111743093.db2.gz RGVKQSSAVXUVNP-FQEVSTJZSA-N 2 1 368.569 4.050 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000478316716 1111743099 /nfs/dbraw/zinc/74/30/99/1111743099.db2.gz RGVKQSSAVXUVNP-FQEVSTJZSA-N 2 1 368.569 4.050 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000479055239 1111938025 /nfs/dbraw/zinc/93/80/25/1111938025.db2.gz GXTOKFXUXLOGOY-GQIGUUNPSA-N 2 1 354.485 4.141 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479081492 1111945810 /nfs/dbraw/zinc/94/58/10/1111945810.db2.gz UULNHKPKEUOURB-NRFANRHFSA-N 2 1 352.526 4.104 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290015 1111986459 /nfs/dbraw/zinc/98/64/59/1111986459.db2.gz XFGXJRFNDLCHCK-DOTOQJQBSA-N 2 1 353.348 4.090 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479294757 1111987365 /nfs/dbraw/zinc/98/73/65/1111987365.db2.gz JSNVSSQSSNRZHI-FQEVSTJZSA-N 2 1 371.322 4.390 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479332035 1111994167 /nfs/dbraw/zinc/99/41/67/1111994167.db2.gz SFMRNBJMCPLHRW-UGKGYDQZSA-N 2 1 366.553 4.494 20 0 FIADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367207 1112002078 /nfs/dbraw/zinc/00/20/78/1112002078.db2.gz WEEBUOHCQHLBOQ-UGSOOPFHSA-N 2 1 363.343 4.245 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449102 1112027364 /nfs/dbraw/zinc/02/73/64/1112027364.db2.gz UGCLSARJYOXCSM-GHTZIAJQSA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449102 1112027368 /nfs/dbraw/zinc/02/73/68/1112027368.db2.gz UGCLSARJYOXCSM-GHTZIAJQSA-N 2 1 358.913 4.139 20 0 FIADMP C[C@H](CC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)[NH+]1CCCCC1 ZINC000479452158 1112028229 /nfs/dbraw/zinc/02/82/29/1112028229.db2.gz IBXLXNHERALPHB-WIYYLYMNSA-N 2 1 352.526 4.104 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464294 1112034396 /nfs/dbraw/zinc/03/43/96/1112034396.db2.gz LPCSBUDWUKUGQD-TZIWHRDSSA-N 2 1 360.505 4.045 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466326 1112041549 /nfs/dbraw/zinc/04/15/49/1112041549.db2.gz RNJXXHOVNAUDEW-UNMCSNQZSA-N 2 1 350.506 4.320 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)CC2)oc1C ZINC000479501836 1112048138 /nfs/dbraw/zinc/04/81/38/1112048138.db2.gz RUNRNFQUGWSCAQ-HXUWFJFHSA-N 2 1 373.928 4.434 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)C1 ZINC000554050139 1112176967 /nfs/dbraw/zinc/17/69/67/1112176967.db2.gz FYJNFFHIDYNRFX-LZQZEXGQSA-N 2 1 370.459 4.118 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000479867577 1112180567 /nfs/dbraw/zinc/18/05/67/1112180567.db2.gz VRIWPWGDKMDJCJ-QGZVFWFLSA-N 2 1 355.501 4.207 20 0 FIADMP CC1(C)C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000479934641 1112204063 /nfs/dbraw/zinc/20/40/63/1112204063.db2.gz XVXUHIKKOKOZBX-QFIPXVFZSA-N 2 1 350.506 4.031 20 0 FIADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000480259669 1112348240 /nfs/dbraw/zinc/34/82/40/1112348240.db2.gz IFNCODHMNMIQSU-JKSUJKDBSA-N 2 1 358.448 4.118 20 0 FIADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000480259669 1112348246 /nfs/dbraw/zinc/34/82/46/1112348246.db2.gz IFNCODHMNMIQSU-JKSUJKDBSA-N 2 1 358.448 4.118 20 0 FIADMP CCC[N@H+](Cc1ccc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000554497414 1112376650 /nfs/dbraw/zinc/37/66/50/1112376650.db2.gz CCGZERBBXRUYNE-UHFFFAOYSA-N 2 1 373.932 4.023 20 0 FIADMP CCC[N@@H+](Cc1ccc(Cl)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000554497414 1112376658 /nfs/dbraw/zinc/37/66/58/1112376658.db2.gz CCGZERBBXRUYNE-UHFFFAOYSA-N 2 1 373.932 4.023 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2nccn2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000480306439 1112379398 /nfs/dbraw/zinc/37/93/98/1112379398.db2.gz HYIYWLDHEZHDID-IRLDBZIGSA-N 2 1 374.532 4.263 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000480342703 1112393975 /nfs/dbraw/zinc/39/39/75/1112393975.db2.gz NYXVHYXFRQUDGD-UHFFFAOYSA-N 2 1 365.768 4.374 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCCc3ccccc3)CC2)CC1 ZINC000480583207 1112483165 /nfs/dbraw/zinc/48/31/65/1112483165.db2.gz QTGGKGPYSCJLRZ-UHFFFAOYSA-N 3 1 371.613 4.137 20 0 FIADMP C[N@H+](CCCCc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000480583207 1112483168 /nfs/dbraw/zinc/48/31/68/1112483168.db2.gz QTGGKGPYSCJLRZ-UHFFFAOYSA-N 3 1 371.613 4.137 20 0 FIADMP C[N@@H+](CCCCc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000480583207 1112483171 /nfs/dbraw/zinc/48/31/71/1112483171.db2.gz QTGGKGPYSCJLRZ-UHFFFAOYSA-N 3 1 371.613 4.137 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000480601521 1112491453 /nfs/dbraw/zinc/49/14/53/1112491453.db2.gz ASUGGLMZDSGXPU-ZCNNSNEGSA-N 2 1 354.542 4.281 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000480645943 1112520209 /nfs/dbraw/zinc/52/02/09/1112520209.db2.gz YFCKGCXDUKPTJN-JTOYRKQZSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645943 1112520213 /nfs/dbraw/zinc/52/02/13/1112520213.db2.gz YFCKGCXDUKPTJN-JTOYRKQZSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645943 1112520219 /nfs/dbraw/zinc/52/02/19/1112520219.db2.gz YFCKGCXDUKPTJN-JTOYRKQZSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645943 1112520220 /nfs/dbraw/zinc/52/02/20/1112520220.db2.gz YFCKGCXDUKPTJN-JTOYRKQZSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645943 1112520225 /nfs/dbraw/zinc/52/02/25/1112520225.db2.gz YFCKGCXDUKPTJN-JTOYRKQZSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635485 1112523395 /nfs/dbraw/zinc/52/33/95/1112523395.db2.gz AIJMLZTYJKSCJK-MSOLQXFVSA-N 2 1 366.505 4.498 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccsc1Cl ZINC000480654727 1112531416 /nfs/dbraw/zinc/53/14/16/1112531416.db2.gz UGVWNRGOLNWELP-UHFFFAOYSA-N 2 1 352.931 4.412 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000554857927 1112534362 /nfs/dbraw/zinc/53/43/62/1112534362.db2.gz DGVVRBCTFSRUBB-SFHVURJKSA-N 2 1 371.488 4.276 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2nccn2-c2ccccc2)C1 ZINC000480665510 1112544131 /nfs/dbraw/zinc/54/41/31/1112544131.db2.gz XVIVOPKMOXPATM-HXUWFJFHSA-N 2 1 374.532 4.394 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000480708167 1112557074 /nfs/dbraw/zinc/55/70/74/1112557074.db2.gz RXUNTYVWHGXDHE-OAQYLSRUSA-N 2 1 369.578 4.053 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000480751125 1112578066 /nfs/dbraw/zinc/57/80/66/1112578066.db2.gz UYKMPLCWHJMWAH-BKULYWANSA-N 2 1 363.549 4.013 20 0 FIADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000480777965 1112593128 /nfs/dbraw/zinc/59/31/28/1112593128.db2.gz WLWQAEHOVQKFTI-HXUWFJFHSA-N 2 1 351.966 4.189 20 0 FIADMP Cc1ccsc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000480782766 1112595630 /nfs/dbraw/zinc/59/56/30/1112595630.db2.gz XTIPIWJXZSJJMV-AZUAARDMSA-N 2 1 357.567 4.086 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554993511 1112605069 /nfs/dbraw/zinc/60/50/69/1112605069.db2.gz BZVQMSKNBJWLDF-TZIWHRDSSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554993511 1112605072 /nfs/dbraw/zinc/60/50/72/1112605072.db2.gz BZVQMSKNBJWLDF-TZIWHRDSSA-N 2 1 351.538 4.310 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000480879151 1112652050 /nfs/dbraw/zinc/65/20/50/1112652050.db2.gz GTSJJGZYQLYZKE-FXAWDEMLSA-N 2 1 366.977 4.344 20 0 FIADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000555085292 1112660852 /nfs/dbraw/zinc/66/08/52/1112660852.db2.gz GKHQUHRIUAMEGL-UHFFFAOYSA-N 2 1 371.912 4.250 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000481313116 1112897326 /nfs/dbraw/zinc/89/73/26/1112897326.db2.gz JDLCVSDMDGHJDH-KNQAVFIVSA-N 2 1 374.569 4.235 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000481313116 1112897335 /nfs/dbraw/zinc/89/73/35/1112897335.db2.gz JDLCVSDMDGHJDH-KNQAVFIVSA-N 2 1 374.569 4.235 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2conc2Cc2ccccc2)c1 ZINC000555524695 1112908158 /nfs/dbraw/zinc/90/81/58/1112908158.db2.gz WVIRRTAGJIXMCC-UHFFFAOYSA-N 2 1 363.505 4.397 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]CC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000555611993 1112946488 /nfs/dbraw/zinc/94/64/88/1112946488.db2.gz FZSOBJSVZBLWFW-JOCHJYFZSA-N 2 1 356.554 4.085 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533629 1112971372 /nfs/dbraw/zinc/97/13/72/1112971372.db2.gz LECIZGHHDXSTMS-RBUKOAKNSA-N 2 1 364.533 4.247 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533629 1112971375 /nfs/dbraw/zinc/97/13/75/1112971375.db2.gz LECIZGHHDXSTMS-RBUKOAKNSA-N 2 1 364.533 4.247 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542802 1112973829 /nfs/dbraw/zinc/97/38/29/1112973829.db2.gz DEDGWAJFFYCYLA-NTKDMRAZSA-N 2 1 364.533 4.465 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542802 1112973831 /nfs/dbraw/zinc/97/38/31/1112973831.db2.gz DEDGWAJFFYCYLA-NTKDMRAZSA-N 2 1 364.533 4.465 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000481553215 1112975777 /nfs/dbraw/zinc/97/57/77/1112975777.db2.gz RPTNXQZUTJNEJV-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000481553215 1112975779 /nfs/dbraw/zinc/97/57/79/1112975779.db2.gz RPTNXQZUTJNEJV-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481571361 1112985641 /nfs/dbraw/zinc/98/56/41/1112985641.db2.gz VYXGZVZSMZONMC-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481571361 1112985643 /nfs/dbraw/zinc/98/56/43/1112985643.db2.gz VYXGZVZSMZONMC-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@H](C)C1 ZINC000481731888 1113058923 /nfs/dbraw/zinc/05/89/23/1113058923.db2.gz GCZOFFFLXXLBBV-XLIONFOSSA-N 2 1 366.977 4.344 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4F)C3)sc2C1 ZINC000481807348 1113084694 /nfs/dbraw/zinc/08/46/94/1113084694.db2.gz BYNFQGVYOREEFH-HZPDHXFCSA-N 2 1 373.541 4.475 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4F)C3)sc2C1 ZINC000481807348 1113084699 /nfs/dbraw/zinc/08/46/99/1113084699.db2.gz BYNFQGVYOREEFH-HZPDHXFCSA-N 2 1 373.541 4.475 20 0 FIADMP C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)c3ccc(Br)cc32)CC1 ZINC000481911135 1113135382 /nfs/dbraw/zinc/13/53/82/1113135382.db2.gz DHBSCWWXWDEPKF-QGZVFWFLSA-N 2 1 351.332 4.245 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995493 1113151564 /nfs/dbraw/zinc/15/15/64/1113151564.db2.gz VMRHYUKBAPSPSP-JTSKRJEESA-N 2 1 365.496 4.350 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995493 1113151568 /nfs/dbraw/zinc/15/15/68/1113151568.db2.gz VMRHYUKBAPSPSP-JTSKRJEESA-N 2 1 365.496 4.350 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995497 1113151600 /nfs/dbraw/zinc/15/16/00/1113151600.db2.gz VMRHYUKBAPSPSP-VGSWGCGISA-N 2 1 365.496 4.350 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000481995497 1113151603 /nfs/dbraw/zinc/15/16/03/1113151603.db2.gz VMRHYUKBAPSPSP-VGSWGCGISA-N 2 1 365.496 4.350 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000482123087 1113181854 /nfs/dbraw/zinc/18/18/54/1113181854.db2.gz GTXUPXVNMOSZQX-OXJNMPFZSA-N 2 1 356.535 4.246 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482123087 1113181856 /nfs/dbraw/zinc/18/18/56/1113181856.db2.gz GTXUPXVNMOSZQX-OXJNMPFZSA-N 2 1 356.535 4.246 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244266 1113208427 /nfs/dbraw/zinc/20/84/27/1113208427.db2.gz XANXPFAUKKAMLY-AUSIDOKSSA-N 2 1 364.533 4.054 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244266 1113208428 /nfs/dbraw/zinc/20/84/28/1113208428.db2.gz XANXPFAUKKAMLY-AUSIDOKSSA-N 2 1 364.533 4.054 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326634 1113226251 /nfs/dbraw/zinc/22/62/51/1113226251.db2.gz ZDZURPNMNTWDMG-RDTXWAMCSA-N 2 1 356.432 4.283 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333080 1113228071 /nfs/dbraw/zinc/22/80/71/1113228071.db2.gz ZCYABYSJPOXUOV-CVEARBPZSA-N 2 1 358.448 4.399 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000482355137 1113231408 /nfs/dbraw/zinc/23/14/08/1113231408.db2.gz DVQOHQSPZXJYBE-KGLIPLIRSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000482355137 1113231411 /nfs/dbraw/zinc/23/14/11/1113231411.db2.gz DVQOHQSPZXJYBE-KGLIPLIRSA-N 2 1 357.311 4.359 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442951 1113258074 /nfs/dbraw/zinc/25/80/74/1113258074.db2.gz ZYHSOWFROUIPPV-HYBUGGRVSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000482567432 1113299417 /nfs/dbraw/zinc/29/94/17/1113299417.db2.gz VLZVATGOFQEIGJ-FQEVSTJZSA-N 2 1 367.537 4.157 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C(C)(C)c3ccccc3)CCCC2)CC1 ZINC000482635422 1113320969 /nfs/dbraw/zinc/32/09/69/1113320969.db2.gz KMUSSVIZHJWECI-LJQANCHMSA-N 2 1 358.570 4.366 20 0 FIADMP Cc1ncsc1C[NH+](C)CCCCCC[N@H+](C)Cc1scnc1C ZINC000066563012 1113373797 /nfs/dbraw/zinc/37/37/97/1113373797.db2.gz RZLOWVFFXKQBOP-UHFFFAOYSA-N 2 1 366.600 4.341 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000482875424 1113386634 /nfs/dbraw/zinc/38/66/34/1113386634.db2.gz LWLGAGSLTNHIFF-AUSIDOKSSA-N 2 1 352.522 4.241 20 0 FIADMP C[N@H+](Cc1cc2cc(Br)ccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668147079 1113388076 /nfs/dbraw/zinc/38/80/76/1113388076.db2.gz ZCFZIJPCEYMZEI-XYPWUTKMSA-N 2 1 363.299 4.252 20 0 FIADMP C[N@@H+](Cc1cc2cc(Br)ccc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668147079 1113388079 /nfs/dbraw/zinc/38/80/79/1113388079.db2.gz ZCFZIJPCEYMZEI-XYPWUTKMSA-N 2 1 363.299 4.252 20 0 FIADMP C[NH+](Cc1cc2cc(Br)ccc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000668147079 1113388083 /nfs/dbraw/zinc/38/80/83/1113388083.db2.gz ZCFZIJPCEYMZEI-XYPWUTKMSA-N 2 1 363.299 4.252 20 0 FIADMP C[NH+](Cc1cc2cc(Br)ccc2o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000668147079 1113388087 /nfs/dbraw/zinc/38/80/87/1113388087.db2.gz ZCFZIJPCEYMZEI-XYPWUTKMSA-N 2 1 363.299 4.252 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@@H](C)C1 ZINC000482881618 1113391362 /nfs/dbraw/zinc/39/13/62/1113391362.db2.gz DOMKANKAZLDCPM-AZUAARDMSA-N 2 1 362.583 4.038 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(-c2ccccc2)c1 ZINC000482883671 1113391764 /nfs/dbraw/zinc/39/17/64/1113391764.db2.gz AJDHXUOMHUKMDX-WMZHIEFXSA-N 2 1 352.522 4.241 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000482907815 1113396475 /nfs/dbraw/zinc/39/64/75/1113396475.db2.gz ZDWINZXQEXRWAC-NFBKMPQASA-N 2 1 366.549 4.313 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000483140250 1113451885 /nfs/dbraw/zinc/45/18/85/1113451885.db2.gz PSAYFFUNYDGQKV-JZXOWHBKSA-N 2 1 350.572 4.024 20 0 FIADMP C[C@@H]1[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000569244745 1113485710 /nfs/dbraw/zinc/48/57/10/1113485710.db2.gz MKTKQFCSTCLZGO-GOUWZUTHSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000569244745 1113485711 /nfs/dbraw/zinc/48/57/11/1113485711.db2.gz MKTKQFCSTCLZGO-GOUWZUTHSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000569244745 1113485713 /nfs/dbraw/zinc/48/57/13/1113485713.db2.gz MKTKQFCSTCLZGO-GOUWZUTHSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489866 1113577358 /nfs/dbraw/zinc/57/73/58/1113577358.db2.gz PFPCJMJRTUMCPP-AUSIDOKSSA-N 2 1 374.532 4.087 20 0 FIADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489714 1113577403 /nfs/dbraw/zinc/57/74/03/1113577403.db2.gz OTAFVMHKPXCQQQ-QFBILLFUSA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489714 1113577406 /nfs/dbraw/zinc/57/74/06/1113577406.db2.gz OTAFVMHKPXCQQQ-QFBILLFUSA-N 2 1 358.913 4.349 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486708762 1113626898 /nfs/dbraw/zinc/62/68/98/1113626898.db2.gz KHDXSYZFXXNAEB-KKSFZXQISA-N 2 1 351.469 4.307 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000488117325 1113859082 /nfs/dbraw/zinc/85/90/82/1113859082.db2.gz YEJCEYWWTCUQKI-CIQXWFTPSA-N 2 1 354.538 4.108 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000488267136 1113894051 /nfs/dbraw/zinc/89/40/51/1113894051.db2.gz LOEUEDIBAATSNV-UHFFFAOYSA-N 2 1 357.311 4.142 20 0 FIADMP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488301011 1113904248 /nfs/dbraw/zinc/90/42/48/1113904248.db2.gz UXAUORQISLSHKA-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488301011 1113904250 /nfs/dbraw/zinc/90/42/50/1113904250.db2.gz UXAUORQISLSHKA-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488301011 1113904253 /nfs/dbraw/zinc/90/42/53/1113904253.db2.gz UXAUORQISLSHKA-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488301011 1113904256 /nfs/dbraw/zinc/90/42/56/1113904256.db2.gz UXAUORQISLSHKA-GOSISDBHSA-N 2 1 351.469 4.261 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(-c3ccccc3OC)n2)CC1 ZINC000488349457 1113913260 /nfs/dbraw/zinc/91/32/60/1113913260.db2.gz YBGWYDHJJQGJSG-UHFFFAOYSA-N 2 1 373.566 4.373 20 0 FIADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488342742 1113915230 /nfs/dbraw/zinc/91/52/30/1113915230.db2.gz IVELUCSTNBBHQJ-HNNXBMFYSA-N 2 1 374.916 4.259 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)c(F)c1 ZINC000489611993 1114144093 /nfs/dbraw/zinc/14/40/93/1114144093.db2.gz QXGGHWAKHAAGMO-GFCCVEGCSA-N 2 1 355.295 4.256 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001212144718 1114414622 /nfs/dbraw/zinc/41/46/22/1114414622.db2.gz BANYGZPGANKRCN-AWEZNQCLSA-N 2 1 374.382 4.063 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)c1 ZINC000589837940 1114846978 /nfs/dbraw/zinc/84/69/78/1114846978.db2.gz KLFIVBMZYAHDRE-YADHBBJMSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)c1 ZINC000589837940 1114846981 /nfs/dbraw/zinc/84/69/81/1114846981.db2.gz KLFIVBMZYAHDRE-YADHBBJMSA-N 2 1 354.469 4.121 20 0 FIADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000573487628 1115131019 /nfs/dbraw/zinc/13/10/19/1115131019.db2.gz IULAHSZCLWRLLZ-NRFANRHFSA-N 2 1 356.554 4.370 20 0 FIADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000573487628 1115131022 /nfs/dbraw/zinc/13/10/22/1115131022.db2.gz IULAHSZCLWRLLZ-NRFANRHFSA-N 2 1 356.554 4.370 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168401469 1115174907 /nfs/dbraw/zinc/17/49/07/1115174907.db2.gz WXAHNBUWDKXYGI-CVDCTZTESA-N 2 1 352.497 4.185 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000574300779 1115344283 /nfs/dbraw/zinc/34/42/83/1115344283.db2.gz ZZOANDINQAWEEI-ROUUACIJSA-N 2 1 370.516 4.083 20 0 FIADMP C[C@H]1CC(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000574534571 1115414095 /nfs/dbraw/zinc/41/40/95/1115414095.db2.gz FGKRBJKSOLPSJC-ROUUACIJSA-N 2 1 362.533 4.016 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000595008627 1115507758 /nfs/dbraw/zinc/50/77/58/1115507758.db2.gz PBCPSDNLRVZELH-ROUUACIJSA-N 2 1 360.542 4.170 20 0 FIADMP COC(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1Cl ZINC000597076629 1115639112 /nfs/dbraw/zinc/63/91/12/1115639112.db2.gz SUKQUVMRZLHORC-UHFFFAOYSA-N 2 1 374.912 4.257 20 0 FIADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614551 1115667877 /nfs/dbraw/zinc/66/78/77/1115667877.db2.gz YLSRVWJVXMPCTO-NZQKXSOJSA-N 2 1 364.533 4.227 20 0 FIADMP COc1cccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000669683283 1115778996 /nfs/dbraw/zinc/77/89/96/1115778996.db2.gz OTJUDYMITVBZSF-IRXDYDNUSA-N 2 1 356.485 4.081 20 0 FIADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669703969 1115831376 /nfs/dbraw/zinc/83/13/76/1115831376.db2.gz ZUTIUHNIKAXKHO-MFKCLSPESA-N 2 1 356.554 4.082 20 0 FIADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(C)c1OCc1ccccn1 ZINC000062426955 1115925943 /nfs/dbraw/zinc/92/59/43/1115925943.db2.gz VYPFVBUWWPYDCD-FQEVSTJZSA-N 2 1 367.537 4.097 20 0 FIADMP Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000607144562 1116002869 /nfs/dbraw/zinc/00/28/69/1116002869.db2.gz PQKMNSCLHHOHFX-UHFFFAOYSA-N 2 1 358.392 4.252 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000607384298 1116021337 /nfs/dbraw/zinc/02/13/37/1116021337.db2.gz RVCXKNGNBSHZFO-SFHVURJKSA-N 2 1 365.521 4.232 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000607732076 1116055971 /nfs/dbraw/zinc/05/59/71/1116055971.db2.gz BCKMKWNHKXWGDV-UHFFFAOYSA-N 2 1 359.489 4.425 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC[N@@H+]1C ZINC000534792645 1116236889 /nfs/dbraw/zinc/23/68/89/1116236889.db2.gz AHFIAPHDIXHPIH-XAGWURHQSA-N 2 1 357.723 4.162 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC[N@H+]1C ZINC000534792645 1116236890 /nfs/dbraw/zinc/23/68/90/1116236890.db2.gz AHFIAPHDIXHPIH-XAGWURHQSA-N 2 1 357.723 4.162 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000534956141 1116255867 /nfs/dbraw/zinc/25/58/67/1116255867.db2.gz WGYXBKXROICEAZ-FQEVSTJZSA-N 2 1 351.498 4.349 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000534956141 1116255868 /nfs/dbraw/zinc/25/58/68/1116255868.db2.gz WGYXBKXROICEAZ-FQEVSTJZSA-N 2 1 351.498 4.349 20 0 FIADMP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000534972649 1116256972 /nfs/dbraw/zinc/25/69/72/1116256972.db2.gz GHIXXUSOFGMDHX-JOCHJYFZSA-N 2 1 370.924 4.339 20 0 FIADMP CC(C)[N@@H+](Cc1ccccn1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000535083163 1116265689 /nfs/dbraw/zinc/26/56/89/1116265689.db2.gz UFLSAARBFWXMBG-UHFFFAOYSA-N 2 1 366.553 4.023 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804155 1117786646 /nfs/dbraw/zinc/78/66/46/1117786646.db2.gz CVGQDNJELSZTOW-GZMRBYKVSA-N 2 1 351.332 4.013 20 0 FIADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000462804602 1117787240 /nfs/dbraw/zinc/78/72/40/1117787240.db2.gz DTQWPDGFNANMAF-RTBURBONSA-N 2 1 371.569 4.051 20 0 FIADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887422 1117828731 /nfs/dbraw/zinc/82/87/31/1117828731.db2.gz JMABKFIZQDTIGG-KKSFZXQISA-N 2 1 356.535 4.333 20 0 FIADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887422 1117828739 /nfs/dbraw/zinc/82/87/39/1117828739.db2.gz JMABKFIZQDTIGG-KKSFZXQISA-N 2 1 356.535 4.333 20 0 FIADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000540055239 1117845200 /nfs/dbraw/zinc/84/52/00/1117845200.db2.gz GKGKALHHKIRLGG-PXNSSMCTSA-N 2 1 371.525 4.290 20 0 FIADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000540055239 1117845205 /nfs/dbraw/zinc/84/52/05/1117845205.db2.gz GKGKALHHKIRLGG-PXNSSMCTSA-N 2 1 371.525 4.290 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)[C@H](C)C1 ZINC000540141168 1117894218 /nfs/dbraw/zinc/89/42/18/1117894218.db2.gz FIABDWFHQDPNLS-VGSWGCGISA-N 2 1 356.485 4.225 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148151 1117899125 /nfs/dbraw/zinc/89/91/25/1117899125.db2.gz VILYTMKDEJUNEX-LPHOPBHVSA-N 2 1 372.475 4.351 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148151 1117899131 /nfs/dbraw/zinc/89/91/31/1117899131.db2.gz VILYTMKDEJUNEX-LPHOPBHVSA-N 2 1 372.475 4.351 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112715 1117970590 /nfs/dbraw/zinc/97/05/90/1117970590.db2.gz VVCJLCHTYWBIPV-HYBUGGRVSA-N 2 1 365.565 4.281 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112715 1117970592 /nfs/dbraw/zinc/97/05/92/1117970592.db2.gz VVCJLCHTYWBIPV-HYBUGGRVSA-N 3 1 365.565 4.281 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112715 1117970595 /nfs/dbraw/zinc/97/05/95/1117970595.db2.gz VVCJLCHTYWBIPV-HYBUGGRVSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112715 1117970599 /nfs/dbraw/zinc/97/05/99/1117970599.db2.gz VVCJLCHTYWBIPV-HYBUGGRVSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112715 1117970601 /nfs/dbraw/zinc/97/06/01/1117970601.db2.gz VVCJLCHTYWBIPV-HYBUGGRVSA-N 3 1 365.565 4.281 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cc4ccccc4o3)CC2)cc1 ZINC000463127746 1117975368 /nfs/dbraw/zinc/97/53/68/1117975368.db2.gz CWRTVVKNXAFQMD-UHFFFAOYSA-N 2 1 366.480 4.411 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302002 1117976455 /nfs/dbraw/zinc/97/64/55/1117976455.db2.gz MHHQNCUBVRHZEM-HYBUGGRVSA-N 2 1 364.533 4.301 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130465 1117976723 /nfs/dbraw/zinc/97/67/23/1117976723.db2.gz WNWLUKXCYQRGBI-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130465 1117976724 /nfs/dbraw/zinc/97/67/24/1117976724.db2.gz WNWLUKXCYQRGBI-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP CCCOCc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463131124 1117977085 /nfs/dbraw/zinc/97/70/85/1117977085.db2.gz JBDFZNWCIAQBJO-UHFFFAOYSA-N 2 1 366.549 4.410 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000463116943 1117977583 /nfs/dbraw/zinc/97/75/83/1117977583.db2.gz QZJHQKQBUXIYJA-QGZVFWFLSA-N 2 1 358.476 4.365 20 0 FIADMP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463116065 1117977651 /nfs/dbraw/zinc/97/76/51/1117977651.db2.gz MKBZIFOXKDKHDT-UHFFFAOYSA-N 2 1 366.549 4.270 20 0 FIADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000463120469 1117979213 /nfs/dbraw/zinc/97/92/13/1117979213.db2.gz VYRKYIMYTZSIKZ-OYDLWJJNSA-N 2 1 365.565 4.240 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cncc(C(F)(F)F)c2)cc1 ZINC000463144322 1117981569 /nfs/dbraw/zinc/98/15/69/1117981569.db2.gz ACQOOUGPZUWCKH-ZDUSSCGKSA-N 2 1 360.383 4.445 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000540321247 1117982875 /nfs/dbraw/zinc/98/28/75/1117982875.db2.gz RGALMZUNJHIULW-SCLBCKFNSA-N 2 1 362.315 4.331 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463134157 1117984178 /nfs/dbraw/zinc/98/41/78/1117984178.db2.gz XQFBEYHXRXSUSZ-SIKLNZKXSA-N 2 1 352.522 4.189 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463134157 1117984181 /nfs/dbraw/zinc/98/41/81/1117984181.db2.gz XQFBEYHXRXSUSZ-SIKLNZKXSA-N 2 1 352.522 4.189 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463138801 1117986638 /nfs/dbraw/zinc/98/66/38/1117986638.db2.gz QNHXXXICBDOJMF-FGZHOGPDSA-N 3 1 371.613 4.041 20 0 FIADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000540354099 1117998229 /nfs/dbraw/zinc/99/82/29/1117998229.db2.gz LETHXBGDORHPLX-RXVVDRJESA-N 2 1 353.510 4.186 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Oc1ccccc1F ZINC000463190196 1118007251 /nfs/dbraw/zinc/00/72/51/1118007251.db2.gz JEUNAOJSCVUEKH-KRWDZBQOSA-N 2 1 374.475 4.029 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463192819 1118009385 /nfs/dbraw/zinc/00/93/85/1118009385.db2.gz QGTBRWSWIHBZDH-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463192819 1118009389 /nfs/dbraw/zinc/00/93/89/1118009389.db2.gz QGTBRWSWIHBZDH-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP CC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1F ZINC000463194969 1118010217 /nfs/dbraw/zinc/01/02/17/1118010217.db2.gz XOCRKHRGKFBQME-OAQYLSRUSA-N 2 1 370.512 4.280 20 0 FIADMP CC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1F ZINC000463194968 1118010732 /nfs/dbraw/zinc/01/07/32/1118010732.db2.gz XOCRKHRGKFBQME-NRFANRHFSA-N 2 1 370.512 4.280 20 0 FIADMP Clc1ccccc1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463203999 1118019667 /nfs/dbraw/zinc/01/96/67/1118019667.db2.gz HSDZLEJCVMILSS-UHFFFAOYSA-N 2 1 358.913 4.016 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000463240795 1118048083 /nfs/dbraw/zinc/04/80/83/1118048083.db2.gz XBCQWDBKHYFXTA-JOCHJYFZSA-N 2 1 356.554 4.165 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000463240796 1118048234 /nfs/dbraw/zinc/04/82/34/1118048234.db2.gz XBCQWDBKHYFXTA-QFIPXVFZSA-N 2 1 356.554 4.165 20 0 FIADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000540607361 1118147249 /nfs/dbraw/zinc/14/72/49/1118147249.db2.gz NPOKPLLUKIKGLJ-NDXORKPFSA-N 2 1 370.537 4.332 20 0 FIADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645823 1118171848 /nfs/dbraw/zinc/17/18/48/1118171848.db2.gz LITWJRXMBDJTHM-HTAPYJJXSA-N 2 1 356.510 4.220 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540748033 1118231625 /nfs/dbraw/zinc/23/16/25/1118231625.db2.gz NWCVFWRBRLCMEX-XXBNENTESA-N 2 1 351.538 4.379 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C[C@H]1C ZINC000463744323 1118311937 /nfs/dbraw/zinc/31/19/37/1118311937.db2.gz KJHDHKQYVPUFSI-SBHAEUEKSA-N 2 1 374.569 4.091 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000540988454 1118339579 /nfs/dbraw/zinc/33/95/79/1118339579.db2.gz LLWSMKWGBKXXDS-IFMALSPDSA-N 2 1 370.924 4.074 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc2c(s1)CCC2 ZINC000540990771 1118341007 /nfs/dbraw/zinc/34/10/07/1118341007.db2.gz RRLGANRYPHADLG-UZLBHIALSA-N 2 1 370.562 4.044 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992653 1118342125 /nfs/dbraw/zinc/34/21/25/1118342125.db2.gz YKFAZUAXIMTTOE-NJNPRVFISA-N 2 1 365.521 4.206 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000541215500 1118430920 /nfs/dbraw/zinc/43/09/20/1118430920.db2.gz DVNKLMSHNCLXKQ-SJBKTWHCSA-N 2 1 368.569 4.285 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@@H](c4ccccc4)[C@H]3C)CCCC2)CC1 ZINC000464087644 1118442190 /nfs/dbraw/zinc/44/21/90/1118442190.db2.gz BMFAGRVICYTAAK-STZQEDGTSA-N 2 1 356.554 4.192 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000541564055 1118556144 /nfs/dbraw/zinc/55/61/44/1118556144.db2.gz CMXXJNCYMVLDDB-QHCPKHFHSA-N 2 1 361.464 4.315 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785789 1118694567 /nfs/dbraw/zinc/69/45/67/1118694567.db2.gz SMVUNWHKCSVEPQ-HXUWFJFHSA-N 2 1 352.522 4.066 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785789 1118694569 /nfs/dbraw/zinc/69/45/69/1118694569.db2.gz SMVUNWHKCSVEPQ-HXUWFJFHSA-N 2 1 352.522 4.066 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785789 1118694572 /nfs/dbraw/zinc/69/45/72/1118694572.db2.gz SMVUNWHKCSVEPQ-HXUWFJFHSA-N 2 1 352.522 4.066 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785789 1118694574 /nfs/dbraw/zinc/69/45/74/1118694574.db2.gz SMVUNWHKCSVEPQ-HXUWFJFHSA-N 2 1 352.522 4.066 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000173822137 1119073716 /nfs/dbraw/zinc/07/37/16/1119073716.db2.gz ACGLHMYWEBIFCJ-OAQYLSRUSA-N 2 1 358.913 4.413 20 0 FIADMP C[C@@H](NCc1coc(-c2cccs2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463000 1119098037 /nfs/dbraw/zinc/09/80/37/1119098037.db2.gz HRXMWOYZGFQBQA-SJLPKXTDSA-N 2 1 367.518 4.403 20 0 FIADMP C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000177206143 1119317084 /nfs/dbraw/zinc/31/70/84/1119317084.db2.gz RYZDGFCLOFAJOP-UHFFFAOYSA-N 3 1 363.549 4.133 20 0 FIADMP C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311491844 1119376978 /nfs/dbraw/zinc/37/69/78/1119376978.db2.gz CFPPSZIMPIFVME-NYDSKATKSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000311523623 1119378608 /nfs/dbraw/zinc/37/86/08/1119378608.db2.gz PVANYEVAEPVTDF-PWHSHALESA-N 2 1 352.522 4.126 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000311821916 1119390414 /nfs/dbraw/zinc/39/04/14/1119390414.db2.gz QOIJKFPAGQKHEI-SELNLUPBSA-N 2 1 352.522 4.126 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311863742 1119392758 /nfs/dbraw/zinc/39/27/58/1119392758.db2.gz VOPDMBSJSLOOHB-KSEOMHKRSA-N 2 1 356.554 4.369 20 0 FIADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000178520323 1119395178 /nfs/dbraw/zinc/39/51/78/1119395178.db2.gz ZGYSEKUNCDSBIJ-GOSISDBHSA-N 2 1 359.341 4.271 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000187036219 1119762703 /nfs/dbraw/zinc/76/27/03/1119762703.db2.gz XQAKRVKMPHLJAA-IBGZPJMESA-N 2 1 365.521 4.065 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000187036219 1119762708 /nfs/dbraw/zinc/76/27/08/1119762708.db2.gz XQAKRVKMPHLJAA-IBGZPJMESA-N 2 1 365.521 4.065 20 0 FIADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)c2C1 ZINC000494504867 1119871946 /nfs/dbraw/zinc/87/19/46/1119871946.db2.gz CZFOQEYWAHXNDJ-NRFANRHFSA-N 2 1 355.526 4.004 20 0 FIADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)c2C1 ZINC000494504867 1119871956 /nfs/dbraw/zinc/87/19/56/1119871956.db2.gz CZFOQEYWAHXNDJ-NRFANRHFSA-N 2 1 355.526 4.004 20 0 FIADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2C1 ZINC000494504867 1119871960 /nfs/dbraw/zinc/87/19/60/1119871960.db2.gz CZFOQEYWAHXNDJ-NRFANRHFSA-N 2 1 355.526 4.004 20 0 FIADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000190436798 1119937419 /nfs/dbraw/zinc/93/74/19/1119937419.db2.gz KGWMPWPORICRCP-CYBMUJFWSA-N 2 1 366.303 4.094 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1csc(Cl)c1 ZINC000191209504 1119965420 /nfs/dbraw/zinc/96/54/20/1119965420.db2.gz KMYJSBDABYLXBM-GJZGRUSLSA-N 2 1 364.942 4.473 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1csc(Cl)c1 ZINC000191209504 1119965424 /nfs/dbraw/zinc/96/54/24/1119965424.db2.gz KMYJSBDABYLXBM-GJZGRUSLSA-N 2 1 364.942 4.473 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261967 1119968555 /nfs/dbraw/zinc/96/85/55/1119968555.db2.gz VOBBYGCCYDGXGK-WIYYLYMNSA-N 2 1 368.569 4.162 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261967 1119968556 /nfs/dbraw/zinc/96/85/56/1119968556.db2.gz VOBBYGCCYDGXGK-WIYYLYMNSA-N 2 1 368.569 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000195133134 1120120292 /nfs/dbraw/zinc/12/02/92/1120120292.db2.gz DNRGUGFLOCQUIM-UGKGYDQZSA-N 2 1 366.505 4.021 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000195133651 1120120367 /nfs/dbraw/zinc/12/03/67/1120120367.db2.gz ZYHVIROFDURBMO-NQIIRXRSSA-N 2 1 368.546 4.344 20 0 FIADMP C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542508523 1120289723 /nfs/dbraw/zinc/28/97/23/1120289723.db2.gz VWXAAYGKBVEDJD-QHCPKHFHSA-N 2 1 352.522 4.047 20 0 FIADMP C[NH+](CCCOCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542508523 1120289726 /nfs/dbraw/zinc/28/97/26/1120289726.db2.gz VWXAAYGKBVEDJD-QHCPKHFHSA-N 2 1 352.522 4.047 20 0 FIADMP C[NH+](CCCOCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542508523 1120289729 /nfs/dbraw/zinc/28/97/29/1120289729.db2.gz VWXAAYGKBVEDJD-QHCPKHFHSA-N 2 1 352.522 4.047 20 0 FIADMP C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533267 1120430538 /nfs/dbraw/zinc/43/05/38/1120430538.db2.gz KXLAJIIEBCQYKG-NVXWUHKLSA-N 2 1 370.459 4.370 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CCN1Cc1ccccc1 ZINC000495392367 1120771163 /nfs/dbraw/zinc/77/11/63/1120771163.db2.gz YIPIZRCFKPPTBL-RXVVDRJESA-N 2 1 367.537 4.402 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000495392367 1120771169 /nfs/dbraw/zinc/77/11/69/1120771169.db2.gz YIPIZRCFKPPTBL-RXVVDRJESA-N 2 1 367.537 4.402 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000495392367 1120771177 /nfs/dbraw/zinc/77/11/77/1120771177.db2.gz YIPIZRCFKPPTBL-RXVVDRJESA-N 2 1 367.537 4.402 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000495434249 1120808868 /nfs/dbraw/zinc/80/88/68/1120808868.db2.gz REDPQJITYKWERW-JTAQYXEDSA-N 2 1 374.532 4.434 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000495438869 1120824542 /nfs/dbraw/zinc/82/45/42/1120824542.db2.gz JDVARZFWOKBHOZ-KFKAGJAMSA-N 2 1 355.551 4.329 20 0 FIADMP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001203451900 1120894271 /nfs/dbraw/zinc/89/42/71/1120894271.db2.gz GDXMSSYNCCDURL-RTBURBONSA-N 2 1 352.444 4.180 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650763 1120945484 /nfs/dbraw/zinc/94/54/84/1120945484.db2.gz RPZMGOZUPOVLEI-CABCVRRESA-N 2 1 358.498 4.153 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650763 1120945485 /nfs/dbraw/zinc/94/54/85/1120945485.db2.gz RPZMGOZUPOVLEI-CABCVRRESA-N 2 1 358.498 4.153 20 0 FIADMP c1cn(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc12 ZINC000236710105 1120969043 /nfs/dbraw/zinc/96/90/43/1120969043.db2.gz ZVEBZHHXGQNESQ-UHFFFAOYSA-N 2 1 361.533 4.328 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000236823528 1120970465 /nfs/dbraw/zinc/97/04/65/1120970465.db2.gz YVFQGPKOCNOOCP-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000236823528 1120970468 /nfs/dbraw/zinc/97/04/68/1120970468.db2.gz YVFQGPKOCNOOCP-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000236996621 1120972142 /nfs/dbraw/zinc/97/21/42/1120972142.db2.gz CTBURQVGGHMSNC-HSZRJFAPSA-N 2 1 352.522 4.443 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000237075934 1120973140 /nfs/dbraw/zinc/97/31/40/1120973140.db2.gz NVKHEKJEOARNTI-OAQYLSRUSA-N 2 1 374.532 4.030 20 0 FIADMP COc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OCc1cccs1 ZINC000237153149 1120973844 /nfs/dbraw/zinc/97/38/44/1120973844.db2.gz KBKMVBDXSYTAKF-UHFFFAOYSA-N 2 1 374.550 4.301 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000237462644 1120977786 /nfs/dbraw/zinc/97/77/86/1120977786.db2.gz IBTMAXIQGJCJNU-WOJBJXKFSA-N 2 1 367.537 4.118 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@H](C)C1 ZINC000624307313 1121152211 /nfs/dbraw/zinc/15/22/11/1121152211.db2.gz GXOQQTMDQNXYKJ-APWZRJJASA-N 2 1 372.475 4.018 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000061070896 1121506479 /nfs/dbraw/zinc/50/64/79/1121506479.db2.gz JTURDHIOZBHMKH-ROUUACIJSA-N 2 1 366.505 4.183 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000108428099 1121542053 /nfs/dbraw/zinc/54/20/53/1121542053.db2.gz HVPHRVZUZFMAKK-KRWDZBQOSA-N 2 1 366.534 4.032 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123945182 1121647926 /nfs/dbraw/zinc/64/79/26/1121647926.db2.gz USLHCEJUDKOFSP-SFHVURJKSA-N 2 1 362.521 4.483 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123945182 1121647935 /nfs/dbraw/zinc/64/79/35/1121647935.db2.gz USLHCEJUDKOFSP-SFHVURJKSA-N 3 1 362.521 4.483 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123945182 1121647943 /nfs/dbraw/zinc/64/79/43/1121647943.db2.gz USLHCEJUDKOFSP-SFHVURJKSA-N 3 1 362.521 4.483 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744912 1121662708 /nfs/dbraw/zinc/66/27/08/1121662708.db2.gz DWZQZXVSCWHZBB-LSDHHAIUSA-N 2 1 371.506 4.158 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744912 1121662713 /nfs/dbraw/zinc/66/27/13/1121662713.db2.gz DWZQZXVSCWHZBB-LSDHHAIUSA-N 2 1 371.506 4.158 20 0 FIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000063917584 1121727177 /nfs/dbraw/zinc/72/71/77/1121727177.db2.gz BMGWHVQTXMJEAS-GOSISDBHSA-N 2 1 374.960 4.023 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000063917584 1121727183 /nfs/dbraw/zinc/72/71/83/1121727183.db2.gz BMGWHVQTXMJEAS-GOSISDBHSA-N 2 1 374.960 4.023 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000125078183 1121745333 /nfs/dbraw/zinc/74/53/33/1121745333.db2.gz UWYIXZHYWQLZKZ-HXOBKFHXSA-N 2 1 350.506 4.498 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000125190337 1121754291 /nfs/dbraw/zinc/75/42/91/1121754291.db2.gz AKCZBPAPVJQGFF-IAGOWNOFSA-N 2 1 352.478 4.292 20 0 FIADMP Cc1[nH+]ccn1CCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000125497602 1121785782 /nfs/dbraw/zinc/78/57/82/1121785782.db2.gz VHOVMCHQRJKWMR-SFHVURJKSA-N 2 1 368.308 4.352 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000671761458 1121790937 /nfs/dbraw/zinc/79/09/37/1121790937.db2.gz VDZKCPJRRYHFBK-BJESRGMDSA-N 2 1 368.565 4.084 20 0 FIADMP Brc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)s1 ZINC000671764914 1121815006 /nfs/dbraw/zinc/81/50/06/1121815006.db2.gz UYKYVFXNUGVICK-ZIAGYGMSSA-N 2 1 369.372 4.149 20 0 FIADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000073079538 1121919042 /nfs/dbraw/zinc/91/90/42/1121919042.db2.gz NOWVCXXLPCAASV-UHFFFAOYSA-N 2 1 366.509 4.018 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(F)c(F)c3)cc2)C1 ZINC000917008506 1122001072 /nfs/dbraw/zinc/00/10/72/1122001072.db2.gz KUSABSRGESQXPO-AOMKIAJQSA-N 2 1 374.475 4.020 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000765812763 1122104323 /nfs/dbraw/zinc/10/43/23/1122104323.db2.gz YWNHZXRSKKMZJN-QVKFZJNVSA-N 2 1 369.896 4.392 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000066960834 1122116037 /nfs/dbraw/zinc/11/60/37/1122116037.db2.gz RUAKTPNBOHTJSF-HXUWFJFHSA-N 2 1 373.585 4.383 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618088 1122149849 /nfs/dbraw/zinc/14/98/49/1122149849.db2.gz VVBLRHJCZZXXIS-FUDKSRODSA-N 2 1 372.553 4.160 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618088 1122149854 /nfs/dbraw/zinc/14/98/54/1122149854.db2.gz VVBLRHJCZZXXIS-FUDKSRODSA-N 2 1 372.553 4.160 20 0 FIADMP CCc1nc2c(s1)[C@H]([NH2+]C1CCN(c3cccc(C)[nH+]3)CC1)CCC2 ZINC000128156960 1122198150 /nfs/dbraw/zinc/19/81/50/1122198150.db2.gz LDSWCNDQWHLDLW-MRXNPFEDSA-N 2 1 356.539 4.045 20 0 FIADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2cccs2)cc1 ZINC000128264950 1122217469 /nfs/dbraw/zinc/21/74/69/1122217469.db2.gz OBEHRJARWVUNJT-GOSISDBHSA-N 2 1 357.567 4.093 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000556053495 1122625668 /nfs/dbraw/zinc/62/56/68/1122625668.db2.gz TVUPZEYJAALGKY-RBZQAINGSA-N 2 1 363.549 4.249 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000556093705 1122648071 /nfs/dbraw/zinc/64/80/71/1122648071.db2.gz KLCLANQIJBUZTQ-WOJBJXKFSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000556093705 1122648074 /nfs/dbraw/zinc/64/80/74/1122648074.db2.gz KLCLANQIJBUZTQ-WOJBJXKFSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[C@H]1c1ccccc1 ZINC000556119845 1122670017 /nfs/dbraw/zinc/67/00/17/1122670017.db2.gz DXCHKHLGHAFOPH-VABKMULXSA-N 2 1 366.549 4.214 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[C@H]1c1ccccc1 ZINC000556119845 1122670022 /nfs/dbraw/zinc/67/00/22/1122670022.db2.gz DXCHKHLGHAFOPH-VABKMULXSA-N 2 1 366.549 4.214 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556131838 1122678322 /nfs/dbraw/zinc/67/83/22/1122678322.db2.gz XPFRXZPGHLNBNT-JAXLGGSGSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556131838 1122678324 /nfs/dbraw/zinc/67/83/24/1122678324.db2.gz XPFRXZPGHLNBNT-JAXLGGSGSA-N 2 1 369.940 4.344 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)oc1C ZINC000129853813 1122704917 /nfs/dbraw/zinc/70/49/17/1122704917.db2.gz BGXBKYTWXFTWQN-SJORKVTESA-N 2 1 373.463 4.214 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556238446 1122755348 /nfs/dbraw/zinc/75/53/48/1122755348.db2.gz KLZFARYDUYCHNY-SJLPKXTDSA-N 2 1 364.411 4.352 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556238446 1122755353 /nfs/dbraw/zinc/75/53/53/1122755353.db2.gz KLZFARYDUYCHNY-SJLPKXTDSA-N 2 1 364.411 4.352 20 0 FIADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230722 1122757278 /nfs/dbraw/zinc/75/72/78/1122757278.db2.gz ANFIPZXFMCDWRS-DNVJHFABSA-N 2 1 370.581 4.474 20 0 FIADMP C[C@@H](CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000556261206 1122770629 /nfs/dbraw/zinc/77/06/29/1122770629.db2.gz JRDSTMNVEXUANG-RBKXMNCYSA-N 3 1 357.586 4.284 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000130441772 1122847100 /nfs/dbraw/zinc/84/71/00/1122847100.db2.gz AJCCBPVGXQQLKB-UHFFFAOYSA-N 2 1 373.298 4.024 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000130441772 1122847114 /nfs/dbraw/zinc/84/71/14/1122847114.db2.gz AJCCBPVGXQQLKB-UHFFFAOYSA-N 2 1 373.298 4.024 20 0 FIADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(Br)ccc(C)c2Cl)CC1 ZINC001236216327 1123069780 /nfs/dbraw/zinc/06/97/80/1123069780.db2.gz YTJABYFOLJVWGJ-UHFFFAOYSA-N 2 1 359.739 4.373 20 0 FIADMP Cc1ccncc1CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000556885073 1123162436 /nfs/dbraw/zinc/16/24/36/1123162436.db2.gz UMGSWSROJXUZRS-UHFFFAOYSA-N 2 1 363.549 4.311 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000556926413 1123228477 /nfs/dbraw/zinc/22/84/77/1123228477.db2.gz LCSAEDILSBQQJH-LJQANCHMSA-N 2 1 365.521 4.179 20 0 FIADMP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000132326888 1123243094 /nfs/dbraw/zinc/24/30/94/1123243094.db2.gz JIPHKSBLHQUVMX-IBGZPJMESA-N 2 1 368.521 4.027 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499138058 1123279558 /nfs/dbraw/zinc/27/95/58/1123279558.db2.gz BSNZRCCHNDHVIG-KOUNCHBCSA-N 2 1 350.506 4.371 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499138845 1123280826 /nfs/dbraw/zinc/28/08/26/1123280826.db2.gz JOWDFWCAYNVKNS-TWDDROGUSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138845 1123280831 /nfs/dbraw/zinc/28/08/31/1123280831.db2.gz JOWDFWCAYNVKNS-TWDDROGUSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138845 1123280835 /nfs/dbraw/zinc/28/08/35/1123280835.db2.gz JOWDFWCAYNVKNS-TWDDROGUSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138845 1123280840 /nfs/dbraw/zinc/28/08/40/1123280840.db2.gz JOWDFWCAYNVKNS-TWDDROGUSA-N 2 1 369.597 4.426 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138845 1123280845 /nfs/dbraw/zinc/28/08/45/1123280845.db2.gz JOWDFWCAYNVKNS-TWDDROGUSA-N 2 1 369.597 4.426 20 0 FIADMP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000499148768 1123293428 /nfs/dbraw/zinc/29/34/28/1123293428.db2.gz DOJJNUPSXXVEJD-WMAOBNEYSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000499148768 1123293432 /nfs/dbraw/zinc/29/34/32/1123293432.db2.gz DOJJNUPSXXVEJD-WMAOBNEYSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000499148768 1123293438 /nfs/dbraw/zinc/29/34/38/1123293438.db2.gz DOJJNUPSXXVEJD-WMAOBNEYSA-N 2 1 355.570 4.035 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000499221353 1123335313 /nfs/dbraw/zinc/33/53/13/1123335313.db2.gz YVPPHYQGSVHOBB-PVIWCNJMSA-N 2 1 354.538 4.119 20 0 FIADMP CC(C)[NH+](CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000499237449 1123349557 /nfs/dbraw/zinc/34/95/57/1123349557.db2.gz MZOIJGFTXIAOKN-NUNAXRQHSA-N 2 1 357.586 4.281 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000515679087 1123443340 /nfs/dbraw/zinc/44/33/40/1123443340.db2.gz HBZMJKNUYNHASL-UPVQGACJSA-N 2 1 374.532 4.414 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000515679087 1123443342 /nfs/dbraw/zinc/44/33/42/1123443342.db2.gz HBZMJKNUYNHASL-UPVQGACJSA-N 2 1 374.532 4.414 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000515678202 1123443649 /nfs/dbraw/zinc/44/36/49/1123443649.db2.gz ROSWRZYHGJSYSX-PKTZIBPZSA-N 2 1 352.522 4.409 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000515678202 1123443652 /nfs/dbraw/zinc/44/36/52/1123443652.db2.gz ROSWRZYHGJSYSX-PKTZIBPZSA-N 2 1 352.522 4.409 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000237051222 1123592615 /nfs/dbraw/zinc/59/26/15/1123592615.db2.gz AQRMMSKXIYHYFW-PMACEKPBSA-N 2 1 373.928 4.276 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453134 1124037549 /nfs/dbraw/zinc/03/75/49/1124037549.db2.gz FGIXZWGISZVWON-HZUJVAHNSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453134 1124037554 /nfs/dbraw/zinc/03/75/54/1124037554.db2.gz FGIXZWGISZVWON-HZUJVAHNSA-N 2 1 374.550 4.499 20 0 FIADMP c1ccc(COc2cccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000245618307 1124145319 /nfs/dbraw/zinc/14/53/19/1124145319.db2.gz VZJVCWSIMCLKNG-YADHBBJMSA-N 2 1 350.506 4.025 20 0 FIADMP CC[NH+](CC)Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245651650 1124167817 /nfs/dbraw/zinc/16/78/17/1124167817.db2.gz BHXQWEUJMWDECT-AUSIDOKSSA-N 2 1 366.553 4.246 20 0 FIADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245655387 1124170472 /nfs/dbraw/zinc/17/04/72/1124170472.db2.gz DIPBLBRGIQDEHT-HPAIXVDQSA-N 2 1 356.554 4.223 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245677435 1124187136 /nfs/dbraw/zinc/18/71/36/1124187136.db2.gz IGNLUJIJNRJWKI-XBYSBRQOSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245677435 1124187141 /nfs/dbraw/zinc/18/71/41/1124187141.db2.gz IGNLUJIJNRJWKI-XBYSBRQOSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245677435 1124187147 /nfs/dbraw/zinc/18/71/47/1124187147.db2.gz IGNLUJIJNRJWKI-XBYSBRQOSA-N 2 1 355.570 4.036 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245753260 1124240281 /nfs/dbraw/zinc/24/02/81/1124240281.db2.gz ULAHLFFQOBOXCJ-REPLKXPHSA-N 2 1 353.510 4.085 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245753260 1124240283 /nfs/dbraw/zinc/24/02/83/1124240283.db2.gz ULAHLFFQOBOXCJ-REPLKXPHSA-N 2 1 353.510 4.085 20 0 FIADMP C[NH+](C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765566 1124244417 /nfs/dbraw/zinc/24/44/17/1124244417.db2.gz WHPKHKIYVVWLNO-UEQSERJNSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765566 1124244421 /nfs/dbraw/zinc/24/44/21/1124244421.db2.gz WHPKHKIYVVWLNO-UEQSERJNSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765566 1124244426 /nfs/dbraw/zinc/24/44/26/1124244426.db2.gz WHPKHKIYVVWLNO-UEQSERJNSA-N 2 1 363.549 4.075 20 0 FIADMP c1cnn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245777226 1124247563 /nfs/dbraw/zinc/24/75/63/1124247563.db2.gz YINVJLKHYSORAP-MFKCLSPESA-N 2 1 364.537 4.152 20 0 FIADMP c1cnn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245777235 1124247716 /nfs/dbraw/zinc/24/77/16/1124247716.db2.gz YINVJLKHYSORAP-SPHOGXRMSA-N 2 1 364.537 4.152 20 0 FIADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000245925165 1124285709 /nfs/dbraw/zinc/28/57/09/1124285709.db2.gz HNHVQMAEGIZBKO-JOCHJYFZSA-N 2 1 371.956 4.047 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245988395 1124304686 /nfs/dbraw/zinc/30/46/86/1124304686.db2.gz QILACMZSFWFCNW-OXJNMPFZSA-N 2 1 360.448 4.309 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245988395 1124304692 /nfs/dbraw/zinc/30/46/92/1124304692.db2.gz QILACMZSFWFCNW-OXJNMPFZSA-N 2 1 360.448 4.309 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000518575425 1124370058 /nfs/dbraw/zinc/37/00/58/1124370058.db2.gz WCZLWLYQOHCVPH-GOTSBHOMSA-N 2 1 352.522 4.061 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000518575425 1124370063 /nfs/dbraw/zinc/37/00/63/1124370063.db2.gz WCZLWLYQOHCVPH-GOTSBHOMSA-N 2 1 352.522 4.061 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000542841638 1124435270 /nfs/dbraw/zinc/43/52/70/1124435270.db2.gz MDRZBOBGOLEZQJ-JRGCBEDISA-N 2 1 354.542 4.150 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000542841638 1124435272 /nfs/dbraw/zinc/43/52/72/1124435272.db2.gz MDRZBOBGOLEZQJ-JRGCBEDISA-N 2 1 354.542 4.150 20 0 FIADMP CCCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000542846113 1124442918 /nfs/dbraw/zinc/44/29/18/1124442918.db2.gz JWAVGAPXJVDRGJ-PKTZIBPZSA-N 2 1 352.522 4.274 20 0 FIADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@@H](C)O1 ZINC000060368342 1124557312 /nfs/dbraw/zinc/55/73/12/1124557312.db2.gz GNJNYGJXMJPEQJ-HUUCEWRRSA-N 2 1 371.352 4.315 20 0 FIADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000246950673 1124575795 /nfs/dbraw/zinc/57/57/95/1124575795.db2.gz IBRCMLDKZVQWKM-OALUTQOASA-N 2 1 368.521 4.075 20 0 FIADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000246950673 1124575802 /nfs/dbraw/zinc/57/58/02/1124575802.db2.gz IBRCMLDKZVQWKM-OALUTQOASA-N 2 1 368.521 4.075 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)cc1 ZINC000246970850 1124577263 /nfs/dbraw/zinc/57/72/63/1124577263.db2.gz JDPPGNPSCAJRDW-DLBZAZTESA-N 2 1 358.913 4.412 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)cc1 ZINC000246970850 1124577268 /nfs/dbraw/zinc/57/72/68/1124577268.db2.gz JDPPGNPSCAJRDW-DLBZAZTESA-N 2 1 358.913 4.412 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Cl)cc1Cl ZINC000247133605 1124593238 /nfs/dbraw/zinc/59/32/38/1124593238.db2.gz AURQHWGWENRWIS-STQMWFEESA-N 2 1 363.304 4.020 20 0 FIADMP Cc1cccc([C@H]2CCCN2CCC[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140296108 1124594634 /nfs/dbraw/zinc/59/46/34/1124594634.db2.gz SUAYZNDOVMSQPE-ZRZAMGCNSA-N 2 1 364.537 4.458 20 0 FIADMP Cc1cccc([C@H]2CCC[N@H+]2CCCN2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140296108 1124594644 /nfs/dbraw/zinc/59/46/44/1124594644.db2.gz SUAYZNDOVMSQPE-ZRZAMGCNSA-N 2 1 364.537 4.458 20 0 FIADMP Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CCC[C@H]2c2cccc(C)n2)n1 ZINC000140296108 1124594653 /nfs/dbraw/zinc/59/46/53/1124594653.db2.gz SUAYZNDOVMSQPE-ZRZAMGCNSA-N 2 1 364.537 4.458 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000247171754 1124596827 /nfs/dbraw/zinc/59/68/27/1124596827.db2.gz YPCMHCYZHQJFGJ-CABCVRRESA-N 2 1 354.922 4.128 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000247171754 1124596834 /nfs/dbraw/zinc/59/68/34/1124596834.db2.gz YPCMHCYZHQJFGJ-CABCVRRESA-N 2 1 354.922 4.128 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000248031053 1124739195 /nfs/dbraw/zinc/73/91/95/1124739195.db2.gz QJHQVTASKQNDPP-MDZRGWNJSA-N 2 1 370.484 4.076 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248433301 1124768068 /nfs/dbraw/zinc/76/80/68/1124768068.db2.gz DBWUQAFCDKHJIJ-FXAWDEMLSA-N 2 1 364.489 4.159 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc2ccccc21 ZINC000248437159 1124768186 /nfs/dbraw/zinc/76/81/86/1124768186.db2.gz GWTAOGLTLTXCNI-PGRDOPGGSA-N 2 1 360.501 4.257 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000248445933 1124769513 /nfs/dbraw/zinc/76/95/13/1124769513.db2.gz MSGKAGJRRVNJDQ-UWJYYQICSA-N 2 1 364.489 4.240 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1csc(Cl)c1 ZINC000248676012 1124800925 /nfs/dbraw/zinc/80/09/25/1124800925.db2.gz AEWWCYJONUAALL-KSSFIOAISA-N 2 1 364.942 4.209 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062426800 1124809765 /nfs/dbraw/zinc/80/97/65/1124809765.db2.gz BAWJQVWJYLVUMH-NRFANRHFSA-N 2 1 352.522 4.476 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426800 1124809779 /nfs/dbraw/zinc/80/97/79/1124809779.db2.gz BAWJQVWJYLVUMH-NRFANRHFSA-N 2 1 352.522 4.476 20 0 FIADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000249255953 1124852091 /nfs/dbraw/zinc/85/20/91/1124852091.db2.gz GNCKJSMCLYBNJU-IPMKNSEASA-N 2 1 354.460 4.262 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091346657 1125066800 /nfs/dbraw/zinc/06/68/00/1125066800.db2.gz ADEISAPMEXEUEY-GOSISDBHSA-N 2 1 362.315 4.475 20 0 FIADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336821 1125307559 /nfs/dbraw/zinc/30/75/59/1125307559.db2.gz GAAOPKDOJAIESK-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336821 1125307566 /nfs/dbraw/zinc/30/75/66/1125307566.db2.gz GAAOPKDOJAIESK-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336821 1125307570 /nfs/dbraw/zinc/30/75/70/1125307570.db2.gz GAAOPKDOJAIESK-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336821 1125307578 /nfs/dbraw/zinc/30/75/78/1125307578.db2.gz GAAOPKDOJAIESK-GOSISDBHSA-N 2 1 366.534 4.092 20 0 FIADMP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000093563866 1125439854 /nfs/dbraw/zinc/43/98/54/1125439854.db2.gz FONUDCKOQSARRA-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000093563866 1125439856 /nfs/dbraw/zinc/43/98/56/1125439856.db2.gz FONUDCKOQSARRA-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(OC(F)(F)F)c2n1 ZINC000604881745 568383787 /nfs/dbraw/zinc/38/37/87/568383787.db2.gz VKHDMXBMRXZIHQ-ZIAGYGMSSA-N 2 1 365.399 4.481 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000093643924 1125470654 /nfs/dbraw/zinc/47/06/54/1125470654.db2.gz JFEGPQDQPHLTKO-LRDDRELGSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000093643924 1125470657 /nfs/dbraw/zinc/47/06/57/1125470657.db2.gz JFEGPQDQPHLTKO-LRDDRELGSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643924 1125470659 /nfs/dbraw/zinc/47/06/59/1125470659.db2.gz JFEGPQDQPHLTKO-LRDDRELGSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643924 1125470662 /nfs/dbraw/zinc/47/06/62/1125470662.db2.gz JFEGPQDQPHLTKO-LRDDRELGSA-N 2 1 355.309 4.184 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C)n2)cc1C[NH+]1CCCCC1 ZINC000182524291 1125550046 /nfs/dbraw/zinc/55/00/46/1125550046.db2.gz LYCGRPHKERUNIH-SFHVURJKSA-N 2 1 353.510 4.235 20 0 FIADMP Cc1cc(Br)ccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001648786149 1079618624 /nfs/dbraw/zinc/61/86/24/1079618624.db2.gz SHGLOKNRELKHBB-UHFFFAOYSA-N 2 1 373.338 4.296 20 0 FIADMP Cc1cc(Br)ccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001648786149 1079618630 /nfs/dbraw/zinc/61/86/30/1079618630.db2.gz SHGLOKNRELKHBB-UHFFFAOYSA-N 2 1 373.338 4.296 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000530460147 1079732415 /nfs/dbraw/zinc/73/24/15/1079732415.db2.gz JGGGJNCLSAJCKX-MSOLQXFVSA-N 2 1 351.416 4.297 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180402929 1080494715 /nfs/dbraw/zinc/49/47/15/1080494715.db2.gz CGXOFHPJTZRSIA-HSZRJFAPSA-N 2 1 352.522 4.175 20 0 FIADMP CC(C)[C@@H](CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001648791883 1080495210 /nfs/dbraw/zinc/49/52/10/1080495210.db2.gz CQSHYYJQVCOPJW-YMPZKCBVSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2)C1 ZINC001648792076 1080503482 /nfs/dbraw/zinc/50/34/82/1080503482.db2.gz HJZDVMSTSQJZGQ-GOSISDBHSA-N 2 1 352.526 4.130 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCc4[nH]c5ccc(C)cc5c4C3)CC2)[nH+]c1 ZINC000180622172 1080528617 /nfs/dbraw/zinc/52/86/17/1080528617.db2.gz QWVYVDMKYCJFJA-LJQANCHMSA-N 2 1 374.532 4.296 20 0 FIADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001167138936 1080684177 /nfs/dbraw/zinc/68/41/77/1080684177.db2.gz TUCBOMLPYUJXJY-DNQXCXABSA-N 2 1 364.533 4.423 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)CCCO1 ZINC000683344007 1080684255 /nfs/dbraw/zinc/68/42/55/1080684255.db2.gz HUSHQSQKCBPJBB-FQEVSTJZSA-N 2 1 367.537 4.045 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000155229790 1080727750 /nfs/dbraw/zinc/72/77/50/1080727750.db2.gz ITDHLLLSSCMUEZ-RPWUZVMVSA-N 2 1 364.533 4.203 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000398108118 1080785060 /nfs/dbraw/zinc/78/50/60/1080785060.db2.gz BZKGGEZKGJTIKC-ZQMYSKGWSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000398108118 1080785064 /nfs/dbraw/zinc/78/50/64/1080785064.db2.gz BZKGGEZKGJTIKC-ZQMYSKGWSA-N 2 1 350.506 4.270 20 0 FIADMP CCOc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC001648795673 1080804959 /nfs/dbraw/zinc/80/49/59/1080804959.db2.gz UKZHYDFNEADZOR-SFHVURJKSA-N 2 1 353.510 4.145 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC001648804660 1080995768 /nfs/dbraw/zinc/99/57/68/1080995768.db2.gz BWGIDCSGIGSEEA-UHFFFAOYSA-N 2 1 354.523 4.064 20 0 FIADMP C[N@@H+](Cc1ccc(-c2cccs2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683523461 1081048016 /nfs/dbraw/zinc/04/80/16/1081048016.db2.gz KXIBFYYOOVVHIK-OAQYLSRUSA-N 2 1 369.578 4.015 20 0 FIADMP C[N@@H+](Cc1ccc(-c2cccs2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683523459 1081048140 /nfs/dbraw/zinc/04/81/40/1081048140.db2.gz KXIBFYYOOVVHIK-NRFANRHFSA-N 2 1 369.578 4.015 20 0 FIADMP c1csc([C@@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655731695 1081149781 /nfs/dbraw/zinc/14/97/81/1081149781.db2.gz ZZVZMFZYDLDNKQ-LEWJYISDSA-N 2 1 370.562 4.265 20 0 FIADMP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000655742784 1081160565 /nfs/dbraw/zinc/16/05/65/1081160565.db2.gz ALDIHFSNGXJLKY-UHFFFAOYSA-N 2 1 372.944 4.331 20 0 FIADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1Cl ZINC000655773347 1081183261 /nfs/dbraw/zinc/18/32/61/1081183261.db2.gz WOAPNSSIGOSURI-YLJYHZDGSA-N 2 1 366.908 4.163 20 0 FIADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC(F)F)cc1C ZINC001648814362 1081218083 /nfs/dbraw/zinc/21/80/83/1081218083.db2.gz JNIOEKTXVKIEDJ-GJZGRUSLSA-N 2 1 354.485 4.362 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000121442497 1081242860 /nfs/dbraw/zinc/24/28/60/1081242860.db2.gz GUMSFFLPVPHRCO-RYUDHWBXSA-N 2 1 354.267 4.080 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000121426358 1081243785 /nfs/dbraw/zinc/24/37/85/1081243785.db2.gz KWYOAGBZBWJDOH-RYUDHWBXSA-N 2 1 354.267 4.080 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000121477988 1081243905 /nfs/dbraw/zinc/24/39/05/1081243905.db2.gz QHYFXJVJKUJEOK-LSDHHAIUSA-N 2 1 351.441 4.040 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000655850523 1081258629 /nfs/dbraw/zinc/25/86/29/1081258629.db2.gz KBGOLUFVZYXTJR-QRFRQXIXSA-N 2 1 358.526 4.152 20 0 FIADMP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000579986269 1081371497 /nfs/dbraw/zinc/37/14/97/1081371497.db2.gz XNFHXIZNXJDNHG-SJROBZAFSA-N 2 1 365.565 4.411 20 0 FIADMP C[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001167337094 1081470143 /nfs/dbraw/zinc/47/01/43/1081470143.db2.gz GZGCQRXXCLRXHP-TUACAJSNSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@H]1CCCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337094 1081470145 /nfs/dbraw/zinc/47/01/45/1081470145.db2.gz GZGCQRXXCLRXHP-TUACAJSNSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@H]1CCCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337094 1081470146 /nfs/dbraw/zinc/47/01/46/1081470146.db2.gz GZGCQRXXCLRXHP-TUACAJSNSA-N 2 1 366.549 4.138 20 0 FIADMP c1coc(-c2ncc(CNC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)s2)c1 ZINC000683767621 1081525920 /nfs/dbraw/zinc/52/59/20/1081525920.db2.gz XMRMCQNFZNLWBD-GOSISDBHSA-N 2 1 367.518 4.405 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)s2)c1 ZINC000683767621 1081525923 /nfs/dbraw/zinc/52/59/23/1081525923.db2.gz XMRMCQNFZNLWBD-GOSISDBHSA-N 2 1 367.518 4.405 20 0 FIADMP Clc1c(Br)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000706483941 1081793451 /nfs/dbraw/zinc/79/34/51/1081793451.db2.gz LVPLZMJWTDOBTJ-OAHLLOKOSA-N 2 1 357.723 4.067 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000398009067 1081891568 /nfs/dbraw/zinc/89/15/68/1081891568.db2.gz BZIQXQZGIWLEPD-HVETUWLQSA-N 2 1 354.925 4.307 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000398009067 1081891573 /nfs/dbraw/zinc/89/15/73/1081891573.db2.gz BZIQXQZGIWLEPD-HVETUWLQSA-N 2 1 354.925 4.307 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363663 1081900805 /nfs/dbraw/zinc/90/08/05/1081900805.db2.gz IIIYFFMEPSFBGB-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363663 1081900807 /nfs/dbraw/zinc/90/08/07/1081900807.db2.gz IIIYFFMEPSFBGB-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363663 1081900813 /nfs/dbraw/zinc/90/08/13/1081900813.db2.gz IIIYFFMEPSFBGB-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000580363663 1081900816 /nfs/dbraw/zinc/90/08/16/1081900816.db2.gz IIIYFFMEPSFBGB-REWPJTCUSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125542020 1081936791 /nfs/dbraw/zinc/93/67/91/1081936791.db2.gz FMGYUWFRYKWIOX-FQEVSTJZSA-N 2 1 374.532 4.231 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125542020 1081936795 /nfs/dbraw/zinc/93/67/95/1081936795.db2.gz FMGYUWFRYKWIOX-FQEVSTJZSA-N 2 1 374.532 4.231 20 0 FIADMP CCN(C(=O)c1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000580442650 1081948912 /nfs/dbraw/zinc/94/89/12/1081948912.db2.gz KWHXTBRCXLIVIB-NJNPRVFISA-N 2 1 365.521 4.004 20 0 FIADMP CCN(C(=O)c1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000580442653 1081949062 /nfs/dbraw/zinc/94/90/62/1081949062.db2.gz KWHXTBRCXLIVIB-SVMVAKDDSA-N 2 1 365.521 4.004 20 0 FIADMP CCN(C(=O)c1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000580442651 1081949160 /nfs/dbraw/zinc/94/91/60/1081949160.db2.gz KWHXTBRCXLIVIB-NPPFBWRTSA-N 2 1 365.521 4.004 20 0 FIADMP C[NH+]1CCC([NH2+]CC(C)(C)c2ccc(Br)cc2Cl)CC1 ZINC000580469884 1081960211 /nfs/dbraw/zinc/96/02/11/1081960211.db2.gz NVSYWUZLTQPVMU-UHFFFAOYSA-N 2 1 359.739 4.064 20 0 FIADMP CCCO[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000247274689 1082014002 /nfs/dbraw/zinc/01/40/02/1082014002.db2.gz YJVXXAKTHGWQHL-QDWIBDRMSA-N 2 1 366.590 4.105 20 0 FIADMP CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000580979401 1082264912 /nfs/dbraw/zinc/26/49/12/1082264912.db2.gz QNLVTURXCAIXIG-UHFFFAOYSA-N 2 1 354.523 4.222 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000548152355 1082287639 /nfs/dbraw/zinc/28/76/39/1082287639.db2.gz DCUUJDLDQIBYSG-UHFFFAOYSA-N 2 1 374.326 4.193 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000548152355 1082287645 /nfs/dbraw/zinc/28/76/45/1082287645.db2.gz DCUUJDLDQIBYSG-UHFFFAOYSA-N 2 1 374.326 4.193 20 0 FIADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OCC ZINC000581100616 1082313066 /nfs/dbraw/zinc/31/30/66/1082313066.db2.gz WBEMAOAJCVORKP-HXUWFJFHSA-N 2 1 360.542 4.038 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000581206929 1082370617 /nfs/dbraw/zinc/37/06/17/1082370617.db2.gz NRPIUBKEEIRBCV-AKIFATBCSA-N 2 1 366.553 4.244 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000581206929 1082370624 /nfs/dbraw/zinc/37/06/24/1082370624.db2.gz NRPIUBKEEIRBCV-AKIFATBCSA-N 2 1 366.553 4.244 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784799 1082768900 /nfs/dbraw/zinc/76/89/00/1082768900.db2.gz HKVXFFYLXNBHAW-HXUWFJFHSA-N 2 1 353.485 4.099 20 0 FIADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666474 1082782852 /nfs/dbraw/zinc/78/28/52/1082782852.db2.gz GCDPKCJGKDREOX-OXJNMPFZSA-N 2 1 353.510 4.009 20 0 FIADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666474 1082782860 /nfs/dbraw/zinc/78/28/60/1082782860.db2.gz GCDPKCJGKDREOX-OXJNMPFZSA-N 2 1 353.510 4.009 20 0 FIADMP COC[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(Cl)c1 ZINC000581695838 1082817925 /nfs/dbraw/zinc/81/79/25/1082817925.db2.gz GNSOVZMIOGKGTD-HXUWFJFHSA-N 2 1 355.869 4.062 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755899 1082871960 /nfs/dbraw/zinc/87/19/60/1082871960.db2.gz KRLPLTAAIWRVSC-JUXOCIIHSA-N 2 1 370.562 4.179 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755899 1082871968 /nfs/dbraw/zinc/87/19/68/1082871968.db2.gz KRLPLTAAIWRVSC-JUXOCIIHSA-N 2 1 370.562 4.179 20 0 FIADMP CC(C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647192123 1082976457 /nfs/dbraw/zinc/97/64/57/1082976457.db2.gz QVLLUDPBOSKWRD-NHCUHLMSSA-N 2 1 356.554 4.369 20 0 FIADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647192123 1082976458 /nfs/dbraw/zinc/97/64/58/1082976458.db2.gz QVLLUDPBOSKWRD-NHCUHLMSSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789728 1082995402 /nfs/dbraw/zinc/99/54/02/1082995402.db2.gz DACVWIHIOBYXFA-PXNSSMCTSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789728 1082995405 /nfs/dbraw/zinc/99/54/05/1082995405.db2.gz DACVWIHIOBYXFA-PXNSSMCTSA-N 2 1 374.475 4.331 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CCSCc3ccccc3)C2)c1 ZINC000430772358 1083165247 /nfs/dbraw/zinc/16/52/47/1083165247.db2.gz LDWMDWFFXKPXGO-IBGZPJMESA-N 2 1 360.592 4.483 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CCSCc3ccccc3)C2)c1 ZINC000430772358 1083165252 /nfs/dbraw/zinc/16/52/52/1083165252.db2.gz LDWMDWFFXKPXGO-IBGZPJMESA-N 2 1 360.592 4.483 20 0 FIADMP CCC[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH2+]CC1 ZINC000431082316 1083332201 /nfs/dbraw/zinc/33/22/01/1083332201.db2.gz UJWXOWHZMZKODZ-UHFFFAOYSA-N 2 1 373.928 4.278 20 0 FIADMP CCC[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH2+]CC1 ZINC000431082316 1083332203 /nfs/dbraw/zinc/33/22/03/1083332203.db2.gz UJWXOWHZMZKODZ-UHFFFAOYSA-N 2 1 373.928 4.278 20 0 FIADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658339392 1083415074 /nfs/dbraw/zinc/41/50/74/1083415074.db2.gz JTTDAQOBKHZTMN-OIULLBJASA-N 2 1 366.549 4.184 20 0 FIADMP Cc1ccncc1CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000581995697 1083443621 /nfs/dbraw/zinc/44/36/21/1083443621.db2.gz WFKGUMYLWPNVGQ-DEOSSOPVSA-N 2 1 363.549 4.311 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000581995697 1083443627 /nfs/dbraw/zinc/44/36/27/1083443627.db2.gz WFKGUMYLWPNVGQ-DEOSSOPVSA-N 2 1 363.549 4.311 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000581995697 1083443631 /nfs/dbraw/zinc/44/36/31/1083443631.db2.gz WFKGUMYLWPNVGQ-DEOSSOPVSA-N 2 1 363.549 4.311 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481576 1083464332 /nfs/dbraw/zinc/46/43/32/1083464332.db2.gz PEFGBAMCPHPZKJ-XJABCFGWSA-N 2 1 356.485 4.013 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000548481576 1083464337 /nfs/dbraw/zinc/46/43/37/1083464337.db2.gz PEFGBAMCPHPZKJ-XJABCFGWSA-N 2 1 356.485 4.013 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000510979031 1083555405 /nfs/dbraw/zinc/55/54/05/1083555405.db2.gz USSLCSWMEUNWGO-KLHJMIIUSA-N 2 1 360.517 4.454 20 0 FIADMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535680182 1083573129 /nfs/dbraw/zinc/57/31/29/1083573129.db2.gz LCMMZKKOXFHLJH-UHFFFAOYSA-N 2 1 350.506 4.183 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000535813153 1083685248 /nfs/dbraw/zinc/68/52/48/1083685248.db2.gz ILSPWZADECFWNZ-UHFFFAOYSA-N 2 1 360.933 4.282 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+](C)C2CCCCC2)cc1)C(C)C ZINC000511353650 1083869179 /nfs/dbraw/zinc/86/91/79/1083869179.db2.gz ONQVPRDORVRQMS-UHFFFAOYSA-N 2 1 373.585 4.301 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1)C(C)C ZINC000511353650 1083869196 /nfs/dbraw/zinc/86/91/96/1083869196.db2.gz ONQVPRDORVRQMS-UHFFFAOYSA-N 2 1 373.585 4.301 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1)C(C)C ZINC000511353650 1083869216 /nfs/dbraw/zinc/86/92/16/1083869216.db2.gz ONQVPRDORVRQMS-UHFFFAOYSA-N 2 1 373.585 4.301 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000510994365 1084016753 /nfs/dbraw/zinc/01/67/53/1084016753.db2.gz HVUGCLGJLXLMIL-GFCCVEGCSA-N 2 1 362.271 4.441 20 0 FIADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014954 1084173319 /nfs/dbraw/zinc/17/33/19/1084173319.db2.gz SPSSPBHOMCGKDX-GCJKJVERSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014954 1084173328 /nfs/dbraw/zinc/17/33/28/1084173328.db2.gz SPSSPBHOMCGKDX-GCJKJVERSA-N 2 1 352.522 4.130 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657307228 1084369716 /nfs/dbraw/zinc/36/97/16/1084369716.db2.gz DIOHBKBVNYJRHG-UHFFFAOYSA-N 2 1 356.485 4.497 20 0 FIADMP CCn1c2ccccc2nc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685850862 1084385573 /nfs/dbraw/zinc/38/55/73/1084385573.db2.gz KCEYPLPOQNKTLG-LEWJYISDSA-N 2 1 374.532 4.010 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000431755844 1084409311 /nfs/dbraw/zinc/40/93/11/1084409311.db2.gz DWRSWJJOIHACBY-NQIIRXRSSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431755844 1084409317 /nfs/dbraw/zinc/40/93/17/1084409317.db2.gz DWRSWJJOIHACBY-NQIIRXRSSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431755844 1084409323 /nfs/dbraw/zinc/40/93/23/1084409323.db2.gz DWRSWJJOIHACBY-NQIIRXRSSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000431755842 1084409955 /nfs/dbraw/zinc/40/99/55/1084409955.db2.gz DWRSWJJOIHACBY-GHTZIAJQSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431755842 1084409962 /nfs/dbraw/zinc/40/99/62/1084409962.db2.gz DWRSWJJOIHACBY-GHTZIAJQSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431755842 1084409967 /nfs/dbraw/zinc/40/99/67/1084409967.db2.gz DWRSWJJOIHACBY-GHTZIAJQSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414071504 1084438127 /nfs/dbraw/zinc/43/81/27/1084438127.db2.gz LYAFAGDIHLJKIL-GOSISDBHSA-N 2 1 366.553 4.445 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414071504 1084438132 /nfs/dbraw/zinc/43/81/32/1084438132.db2.gz LYAFAGDIHLJKIL-GOSISDBHSA-N 2 1 366.553 4.445 20 0 FIADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000657314311 1084466606 /nfs/dbraw/zinc/46/66/06/1084466606.db2.gz UJTHFYMIQQWIES-OALUTQOASA-N 2 1 354.542 4.232 20 0 FIADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000657314312 1084466993 /nfs/dbraw/zinc/46/69/93/1084466993.db2.gz UJTHFYMIQQWIES-RTBURBONSA-N 2 1 354.542 4.232 20 0 FIADMP COc1ccc(C[NH+](C)C)cc1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582029660 1084483271 /nfs/dbraw/zinc/48/32/71/1084483271.db2.gz GDWWGUANAKGSNB-GHTZIAJQSA-N 2 1 367.537 4.079 20 0 FIADMP Clc1cccc([C@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000414124190 1084627460 /nfs/dbraw/zinc/62/74/60/1084627460.db2.gz PFJNXIAUQOBHIJ-AZUAARDMSA-N 2 1 362.945 4.211 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cc4ccncc4s3)C2)c1 ZINC000657338809 1084637016 /nfs/dbraw/zinc/63/70/16/1084637016.db2.gz VECJKDSTIIDFRZ-HNNXBMFYSA-N 2 1 357.548 4.360 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cc4ccncc4s3)C2)c1 ZINC000657338809 1084637021 /nfs/dbraw/zinc/63/70/21/1084637021.db2.gz VECJKDSTIIDFRZ-HNNXBMFYSA-N 2 1 357.548 4.360 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657348227 1084669907 /nfs/dbraw/zinc/66/99/07/1084669907.db2.gz OMNZWSWXIWVCRA-SFHVURJKSA-N 2 1 357.473 4.223 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657348227 1084669914 /nfs/dbraw/zinc/66/99/14/1084669914.db2.gz OMNZWSWXIWVCRA-SFHVURJKSA-N 2 1 357.473 4.223 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000657347704 1084674304 /nfs/dbraw/zinc/67/43/04/1084674304.db2.gz FIXDTMNDSLBVJX-UHFFFAOYSA-N 2 1 352.400 4.169 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000119948492 1084727729 /nfs/dbraw/zinc/72/77/29/1084727729.db2.gz MQWGAQVYVUTYSY-SFHVURJKSA-N 2 1 370.541 4.165 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000119948492 1084727735 /nfs/dbraw/zinc/72/77/35/1084727735.db2.gz MQWGAQVYVUTYSY-SFHVURJKSA-N 2 1 370.541 4.165 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318337 1084928382 /nfs/dbraw/zinc/92/83/82/1084928382.db2.gz FURRLHNUUQGLKB-AVCGJXAMSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318337 1084928385 /nfs/dbraw/zinc/92/83/85/1084928385.db2.gz FURRLHNUUQGLKB-AVCGJXAMSA-N 2 1 360.505 4.358 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000684928077 1085195574 /nfs/dbraw/zinc/19/55/74/1085195574.db2.gz YQVCYVVFHVGJSS-WZYRSQIMSA-N 2 1 356.554 4.084 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758838 1085455759 /nfs/dbraw/zinc/45/57/59/1085455759.db2.gz PMUFHOYCQNOUIF-AZUAARDMSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000651758838 1085455764 /nfs/dbraw/zinc/45/57/64/1085455764.db2.gz PMUFHOYCQNOUIF-AZUAARDMSA-N 2 1 366.553 4.232 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000236870850 1085632605 /nfs/dbraw/zinc/63/26/05/1085632605.db2.gz OQENPMOBOWCHJH-KRWDZBQOSA-N 2 1 366.534 4.032 20 0 FIADMP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)OC1CCCC1 ZINC000657589044 1085641413 /nfs/dbraw/zinc/64/14/13/1085641413.db2.gz ZWAUPDLHMVUGAG-GOSISDBHSA-N 2 1 362.480 4.263 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000657590117 1085644640 /nfs/dbraw/zinc/64/46/40/1085644640.db2.gz PJTVHLAVLMVVQT-UGKGYDQZSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000657590117 1085644648 /nfs/dbraw/zinc/64/46/48/1085644648.db2.gz PJTVHLAVLMVVQT-UGKGYDQZSA-N 2 1 359.517 4.420 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CCSc2ccc(OC)cc2)CC1 ZINC001204650427 1085685460 /nfs/dbraw/zinc/68/54/60/1085685460.db2.gz FSPCSYLHDLWCEA-UHFFFAOYSA-N 2 1 350.572 4.231 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000651949510 1085707670 /nfs/dbraw/zinc/70/76/70/1085707670.db2.gz NFWNQAOQJOJVBR-IBGZPJMESA-N 2 1 366.440 4.107 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1C ZINC000597051065 1085842250 /nfs/dbraw/zinc/84/22/50/1085842250.db2.gz GQZWLBCJERPSLB-UHFFFAOYSA-N 2 1 370.493 4.040 20 0 FIADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564084 1085900866 /nfs/dbraw/zinc/90/08/66/1085900866.db2.gz UVGLFDAFPXIPEM-SFHVURJKSA-N 2 1 368.525 4.386 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000582927144 1085929892 /nfs/dbraw/zinc/92/98/92/1085929892.db2.gz STEYOLCBUXAFST-WOUAJJJCSA-N 2 1 351.966 4.041 20 0 FIADMP COc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)c(Br)c1 ZINC000582993972 1086006128 /nfs/dbraw/zinc/00/61/28/1086006128.db2.gz CWFSHDPEIKTHGS-SFHVURJKSA-N 2 1 367.331 4.006 20 0 FIADMP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647383 1086024599 /nfs/dbraw/zinc/02/45/99/1086024599.db2.gz MBWRTMSTDMLFLE-JTHBVZDNSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647383 1086024611 /nfs/dbraw/zinc/02/46/11/1086024611.db2.gz MBWRTMSTDMLFLE-JTHBVZDNSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647383 1086024624 /nfs/dbraw/zinc/02/46/24/1086024624.db2.gz MBWRTMSTDMLFLE-JTHBVZDNSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001167647383 1086024636 /nfs/dbraw/zinc/02/46/36/1086024636.db2.gz MBWRTMSTDMLFLE-JTHBVZDNSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647383 1086024657 /nfs/dbraw/zinc/02/46/57/1086024657.db2.gz MBWRTMSTDMLFLE-JTHBVZDNSA-N 2 1 350.506 4.182 20 0 FIADMP CCC(CC)(C[NH2+]C1CCC2(CC1)OCCO2)[NH2+][C@@H](C)c1ccccc1 ZINC000161532177 1086205559 /nfs/dbraw/zinc/20/55/59/1086205559.db2.gz MCYWBPNLPNKDDJ-SFHVURJKSA-N 2 1 360.542 4.171 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174403 1086350616 /nfs/dbraw/zinc/35/06/16/1086350616.db2.gz AWZXJHNAOQRLAK-ZDSWQNORSA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174403 1086350629 /nfs/dbraw/zinc/35/06/29/1086350629.db2.gz AWZXJHNAOQRLAK-ZDSWQNORSA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174403 1086350641 /nfs/dbraw/zinc/35/06/41/1086350641.db2.gz AWZXJHNAOQRLAK-ZDSWQNORSA-N 2 1 352.469 4.353 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173109 1086351338 /nfs/dbraw/zinc/35/13/38/1086351338.db2.gz VVZXCWJZCDFNEA-DNVCBOLYSA-N 2 1 358.913 4.113 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173109 1086351352 /nfs/dbraw/zinc/35/13/52/1086351352.db2.gz VVZXCWJZCDFNEA-DNVCBOLYSA-N 2 1 358.913 4.113 20 0 FIADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000662295535 1086401158 /nfs/dbraw/zinc/40/11/58/1086401158.db2.gz UUTARTJBJBKJLD-GOSISDBHSA-N 2 1 371.550 4.030 20 0 FIADMP c1ccc(-c2nc3c(s2)C[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)CC3)cc1 ZINC000662305193 1086404315 /nfs/dbraw/zinc/40/43/15/1086404315.db2.gz QDLMUVMWYCICDM-UHFFFAOYSA-N 2 1 361.514 4.014 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)s1 ZINC000663346893 1086447378 /nfs/dbraw/zinc/44/73/78/1086447378.db2.gz WTAVIWDJWHUEBS-JSGCOSHPSA-N 2 1 357.361 4.283 20 0 FIADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162748364 1086458433 /nfs/dbraw/zinc/45/84/33/1086458433.db2.gz GYEOOUPWJJBNBJ-QGZVFWFLSA-N 2 1 371.525 4.171 20 0 FIADMP Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000662504899 1086474382 /nfs/dbraw/zinc/47/43/82/1086474382.db2.gz HEVXDLUWURVTAP-JOCHJYFZSA-N 2 1 364.537 4.151 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441526 1086545231 /nfs/dbraw/zinc/54/52/31/1086545231.db2.gz UWIPZSCVWUMYBS-XPKDYRNWSA-N 2 1 369.372 4.448 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441526 1086545236 /nfs/dbraw/zinc/54/52/36/1086545236.db2.gz UWIPZSCVWUMYBS-XPKDYRNWSA-N 2 1 369.372 4.448 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000657751326 1086561542 /nfs/dbraw/zinc/56/15/42/1086561542.db2.gz QBQHXJGERFKSMZ-PGRDOPGGSA-N 2 1 358.570 4.006 20 0 FIADMP Brc1cc2c(s1)CC[C@@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463673 1086564237 /nfs/dbraw/zinc/56/42/37/1086564237.db2.gz AXVDYNMNLZBECC-ZFWWWQNUSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463673 1086564245 /nfs/dbraw/zinc/56/42/45/1086564245.db2.gz AXVDYNMNLZBECC-ZFWWWQNUSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463673 1086564254 /nfs/dbraw/zinc/56/42/54/1086564254.db2.gz AXVDYNMNLZBECC-ZFWWWQNUSA-N 2 1 369.372 4.210 20 0 FIADMP Clc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000657752812 1086581226 /nfs/dbraw/zinc/58/12/26/1086581226.db2.gz RVTZPSKBELEJSG-JOCHJYFZSA-N 2 1 370.924 4.350 20 0 FIADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663474826 1086582384 /nfs/dbraw/zinc/58/23/84/1086582384.db2.gz RTHULTWQJHSIQT-KSSFIOAISA-N 2 1 355.448 4.233 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001167821044 1086582488 /nfs/dbraw/zinc/58/24/88/1086582488.db2.gz ACYRDDYXGDDIOA-MZYLBHOOSA-N 2 1 373.585 4.211 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ccc(Br)cc2C1 ZINC001167824182 1086606129 /nfs/dbraw/zinc/60/61/29/1086606129.db2.gz CMZUEYTWSSBPDJ-HNNXBMFYSA-N 2 1 353.348 4.318 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001167827561 1086627443 /nfs/dbraw/zinc/62/74/43/1086627443.db2.gz XLRDUMNEFRRZAH-JOCHJYFZSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001167828075 1086635983 /nfs/dbraw/zinc/63/59/83/1086635983.db2.gz VYQUYTBLCXGJJY-LJQANCHMSA-N 2 1 366.553 4.055 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001167834683 1086686804 /nfs/dbraw/zinc/68/68/04/1086686804.db2.gz LUMCSURGUCNHRP-OAHLLOKOSA-N 2 1 369.347 4.154 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001167834683 1086686808 /nfs/dbraw/zinc/68/68/08/1086686808.db2.gz LUMCSURGUCNHRP-OAHLLOKOSA-N 2 1 369.347 4.154 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000583456813 1086700510 /nfs/dbraw/zinc/70/05/10/1086700510.db2.gz ZWMQYRXFGQDGHF-UDIRQSBCSA-N 2 1 368.565 4.224 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167837220 1086710909 /nfs/dbraw/zinc/71/09/09/1086710909.db2.gz JOROIKBTWYHZSS-OALUTQOASA-N 2 1 369.594 4.076 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001167837772 1086711792 /nfs/dbraw/zinc/71/17/92/1086711792.db2.gz MKQKQMZNWROWML-NRFANRHFSA-N 3 1 359.602 4.341 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512081844 1086743410 /nfs/dbraw/zinc/74/34/10/1086743410.db2.gz BRNDUZKTLDVPRJ-NSHDSACASA-N 2 1 358.338 4.232 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422558 1086747262 /nfs/dbraw/zinc/74/72/62/1086747262.db2.gz FUVMRCOJSCPNJG-CXAGYDPISA-N 2 1 357.325 4.071 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCCO1 ZINC000432438715 1086769499 /nfs/dbraw/zinc/76/94/99/1086769499.db2.gz BWWNYPGWLVSIHF-REWPJTCUSA-N 2 1 352.522 4.061 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771560 1086798896 /nfs/dbraw/zinc/79/88/96/1086798896.db2.gz CXZHKLKPOZPGPO-VSKRKVRLSA-N 2 1 356.554 4.082 20 0 FIADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000583638672 1086888440 /nfs/dbraw/zinc/88/84/40/1086888440.db2.gz FUQSUHXLNVDIHU-QGZVFWFLSA-N 2 1 366.278 4.091 20 0 FIADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000583638672 1086888453 /nfs/dbraw/zinc/88/84/53/1086888453.db2.gz FUQSUHXLNVDIHU-QGZVFWFLSA-N 2 1 366.278 4.091 20 0 FIADMP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382383442 1086890962 /nfs/dbraw/zinc/89/09/62/1086890962.db2.gz RYGONTZBJOJNTF-QFIPXVFZSA-N 2 1 352.522 4.476 20 0 FIADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCCC(C)C ZINC000583779580 1086959857 /nfs/dbraw/zinc/95/98/57/1086959857.db2.gz AQIKWYMUYKUFPU-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCCC(C)C ZINC000583779580 1086959858 /nfs/dbraw/zinc/95/98/58/1086959858.db2.gz AQIKWYMUYKUFPU-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCCC(C)C ZINC000583779580 1086959859 /nfs/dbraw/zinc/95/98/59/1086959859.db2.gz AQIKWYMUYKUFPU-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCCC(C)C ZINC000583779580 1086959860 /nfs/dbraw/zinc/95/98/60/1086959860.db2.gz AQIKWYMUYKUFPU-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000583780700 1086960205 /nfs/dbraw/zinc/96/02/05/1086960205.db2.gz ZCPIJJJMMANDGA-HXUWFJFHSA-N 2 1 350.466 4.167 20 0 FIADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000151141785 1086964030 /nfs/dbraw/zinc/96/40/30/1086964030.db2.gz RIHZXXLRFFFJGI-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000151141785 1086964033 /nfs/dbraw/zinc/96/40/33/1086964033.db2.gz RIHZXXLRFFFJGI-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1 ZINC000151334821 1087090148 /nfs/dbraw/zinc/09/01/48/1087090148.db2.gz ZWTSWLYSDTYPBJ-GOSISDBHSA-N 2 1 371.488 4.276 20 0 FIADMP CC[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000584021456 1087115410 /nfs/dbraw/zinc/11/54/10/1087115410.db2.gz VKEBLUOZLZPSQX-UHFFFAOYSA-N 2 1 355.507 4.487 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845360 1087291723 /nfs/dbraw/zinc/29/17/23/1087291723.db2.gz NJAPFPCXTFDFPG-IAGOWNOFSA-N 2 1 356.510 4.240 20 0 FIADMP CCOc1cc2[nH+]ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2cc1OCC ZINC000091479926 1087430132 /nfs/dbraw/zinc/43/01/32/1087430132.db2.gz XDFQEXGKGLZKOB-OAHLLOKOSA-N 2 1 366.465 4.139 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657884430 1087528932 /nfs/dbraw/zinc/52/89/32/1087528932.db2.gz UHSJMKHDBXGXON-BQFCYCMXSA-N 2 1 361.555 4.084 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657884432 1087528971 /nfs/dbraw/zinc/52/89/71/1087528971.db2.gz UHSJMKHDBXGXON-JZXOWHBKSA-N 2 1 361.555 4.084 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658136615 1087731023 /nfs/dbraw/zinc/73/10/23/1087731023.db2.gz HNVLBGJQJZODEZ-QDSKXPNFSA-N 2 1 364.533 4.227 20 0 FIADMP CCCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658141744 1087733474 /nfs/dbraw/zinc/73/34/74/1087733474.db2.gz UKWXQBOTAHKLDG-XZOQPEGZSA-N 2 1 352.522 4.274 20 0 FIADMP C[C@@H]([NH2+]CCc1ccnc2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658128243 1087733654 /nfs/dbraw/zinc/73/36/54/1087733654.db2.gz CCHFXPMRKMXOGU-KNQAVFIVSA-N 2 1 359.517 4.278 20 0 FIADMP CCCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658143153 1087734970 /nfs/dbraw/zinc/73/49/70/1087734970.db2.gz XBLBTDVJRHGEAL-MBSDFSHPSA-N 2 1 352.522 4.057 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658144500 1087736330 /nfs/dbraw/zinc/73/63/30/1087736330.db2.gz MHNLDRQTEAYSBZ-RTWAWAEBSA-N 2 1 358.913 4.148 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CC3)cc2)C1 ZINC000658137304 1087742496 /nfs/dbraw/zinc/74/24/96/1087742496.db2.gz GLCRBVPOYFJVAR-FCHUYYIVSA-N 2 1 370.924 4.148 20 0 FIADMP Cc1cc(F)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000424192579 1087836764 /nfs/dbraw/zinc/83/67/64/1087836764.db2.gz PLIVLFWZYRMVMH-UHFFFAOYSA-N 2 1 360.448 4.036 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414787662 1087987455 /nfs/dbraw/zinc/98/74/55/1087987455.db2.gz VSFQMCXWUGXRRC-SFTDATJTSA-N 2 1 350.506 4.184 20 0 FIADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889429 1088039979 /nfs/dbraw/zinc/03/99/79/1088039979.db2.gz QAUZRHOOEOTUJL-IBGZPJMESA-N 2 1 371.569 4.164 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3F)C[C@H](C)O1 ZINC000513867230 1088494490 /nfs/dbraw/zinc/49/44/90/1088494490.db2.gz CZLWHLRIIOQLIO-SAHWJRBASA-N 2 1 368.496 4.212 20 0 FIADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000514062630 1088706884 /nfs/dbraw/zinc/70/68/84/1088706884.db2.gz HBILVXWHTMLDCM-UHFFFAOYSA-N 2 1 373.928 4.496 20 0 FIADMP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311546343 1088721666 /nfs/dbraw/zinc/72/16/66/1088721666.db2.gz VBVZHOFERXHKBX-OAQYLSRUSA-N 2 1 366.534 4.140 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000514089435 1088732904 /nfs/dbraw/zinc/73/29/04/1088732904.db2.gz QBMWAXLURZVVSW-RDABAPPSSA-N 3 1 357.586 4.284 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000514089435 1088732919 /nfs/dbraw/zinc/73/29/19/1088732919.db2.gz QBMWAXLURZVVSW-RDABAPPSSA-N 3 1 357.586 4.284 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000514089435 1088732931 /nfs/dbraw/zinc/73/29/31/1088732931.db2.gz QBMWAXLURZVVSW-RDABAPPSSA-N 3 1 357.586 4.284 20 0 FIADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000514093590 1088739698 /nfs/dbraw/zinc/73/96/98/1088739698.db2.gz JTYISLIFZNNKKL-WMZHIEFXSA-N 2 1 367.537 4.228 20 0 FIADMP FC(F)(F)Oc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000514099052 1088768889 /nfs/dbraw/zinc/76/88/89/1088768889.db2.gz LIZXJBLDCAZZIH-GOSISDBHSA-N 2 1 354.416 4.253 20 0 FIADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000514249490 1088929697 /nfs/dbraw/zinc/92/96/97/1088929697.db2.gz GUQOJAXHWFJOFI-SJAXDAAESA-N 2 1 370.924 4.100 20 0 FIADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)n2c1CCCC2 ZINC000434669430 1088935329 /nfs/dbraw/zinc/93/53/29/1088935329.db2.gz JAANPZKHBAXSKP-HXUWFJFHSA-N 2 1 357.542 4.281 20 0 FIADMP Fc1cc2cccnc2c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434690775 1088947288 /nfs/dbraw/zinc/94/72/88/1088947288.db2.gz JZAXDKYMIRNXQT-UHFFFAOYSA-N 2 1 364.468 4.286 20 0 FIADMP CN1CC[C@@H](C[N@@H+](C)[C@H]2CCc3c2cccc3Cl)[C@@H]1c1cccnc1 ZINC000434735652 1089020016 /nfs/dbraw/zinc/02/00/16/1089020016.db2.gz DFCFQTLQKOOXCR-NDXORKPFSA-N 2 1 355.913 4.347 20 0 FIADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415081489 1089138310 /nfs/dbraw/zinc/13/83/10/1089138310.db2.gz CFQJWWCZZDYTBB-HSALFYBXSA-N 2 1 358.526 4.027 20 0 FIADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089313 1089148687 /nfs/dbraw/zinc/14/86/87/1089148687.db2.gz WDFDOBBLHPIABN-UAFMIMERSA-N 2 1 361.599 4.031 20 0 FIADMP Brc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000415090976 1089155014 /nfs/dbraw/zinc/15/50/14/1089155014.db2.gz YHLPJDJVOJMYCE-HIFRSBDPSA-N 2 1 351.313 4.094 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000435041538 1089219343 /nfs/dbraw/zinc/21/93/43/1089219343.db2.gz JOQKLURLHLTZOX-VOQZNFBZSA-N 2 1 365.521 4.004 20 0 FIADMP C[C@@H]1COCC[C@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549236666 1089311163 /nfs/dbraw/zinc/31/11/63/1089311163.db2.gz DBGXKGOQMMKLIC-DWYIHVRCSA-N 2 1 362.945 4.269 20 0 FIADMP CO[C@H](C)[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549237097 1089319057 /nfs/dbraw/zinc/31/90/57/1089319057.db2.gz JTVCHWFGUAHTKX-PRXSRLESSA-N 2 1 350.934 4.267 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369359 1089579379 /nfs/dbraw/zinc/57/93/79/1089579379.db2.gz DVZUXZMESFZNDK-NVXWUHKLSA-N 2 1 371.912 4.152 20 0 FIADMP Cc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc2cccnc12 ZINC000435390683 1089597032 /nfs/dbraw/zinc/59/70/32/1089597032.db2.gz PVADJFNJPMXGLF-JOCHJYFZSA-N 2 1 360.505 4.083 20 0 FIADMP Cc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc2cccnc12 ZINC000435390683 1089597041 /nfs/dbraw/zinc/59/70/41/1089597041.db2.gz PVADJFNJPMXGLF-JOCHJYFZSA-N 2 1 360.505 4.083 20 0 FIADMP c1cc(C[N@@H+](Cc2ccc3ncccc3c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425095 1089642762 /nfs/dbraw/zinc/64/27/62/1089642762.db2.gz BTSHDNZLXSUHST-NRFANRHFSA-N 2 1 363.530 4.441 20 0 FIADMP Fc1c(Br)cccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959411 1089771310 /nfs/dbraw/zinc/77/13/10/1089771310.db2.gz OTRCBTXUOBPBNB-MQVJKMGUSA-N 2 1 367.306 4.083 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000893094547 1089861433 /nfs/dbraw/zinc/86/14/33/1089861433.db2.gz LOZBTCRZANKGIH-KGLIPLIRSA-N 2 1 353.532 4.058 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549424259 1090321408 /nfs/dbraw/zinc/32/14/08/1090321408.db2.gz CTBPIHLAENDYLQ-QGZVFWFLSA-N 2 1 364.415 4.130 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000511565598 1090441499 /nfs/dbraw/zinc/44/14/99/1090441499.db2.gz KJLJRHPULSHRIC-KCESLBEFSA-N 2 1 352.522 4.069 20 0 FIADMP CC[N@H+](C)Cc1cccc(CNc2[nH+]ccc3cc(OC)c(F)cc32)c1 ZINC000584675913 1090701203 /nfs/dbraw/zinc/70/12/03/1090701203.db2.gz IYJFMQGETZWZNK-UHFFFAOYSA-N 2 1 353.441 4.446 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CNc2[nH+]ccc3cc(OC)c(F)cc32)c1 ZINC000584675913 1090701212 /nfs/dbraw/zinc/70/12/12/1090701212.db2.gz IYJFMQGETZWZNK-UHFFFAOYSA-N 2 1 353.441 4.446 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3C[C@H]3c3cccs3)CC2)oc1C ZINC000417302682 1090792014 /nfs/dbraw/zinc/79/20/14/1090792014.db2.gz CSENBRZPDFMQFF-AYOQOUSVSA-N 2 1 373.566 4.347 20 0 FIADMP Cc1ncc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628297648 1090798904 /nfs/dbraw/zinc/79/89/04/1090798904.db2.gz GWDNCXYQRYYUEL-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914881 1090992548 /nfs/dbraw/zinc/99/25/48/1090992548.db2.gz BIDGKZCZPIZSFK-NJAFHUGGSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914881 1090992549 /nfs/dbraw/zinc/99/25/49/1090992549.db2.gz BIDGKZCZPIZSFK-NJAFHUGGSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914884 1090992865 /nfs/dbraw/zinc/99/28/65/1090992865.db2.gz BIDGKZCZPIZSFK-NXHRZFHOSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914884 1090992870 /nfs/dbraw/zinc/99/28/70/1090992870.db2.gz BIDGKZCZPIZSFK-NXHRZFHOSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914879 1090992881 /nfs/dbraw/zinc/99/28/81/1090992881.db2.gz BIDGKZCZPIZSFK-KBAYOESNSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914879 1090992882 /nfs/dbraw/zinc/99/28/82/1090992882.db2.gz BIDGKZCZPIZSFK-KBAYOESNSA-N 2 1 370.459 4.245 20 0 FIADMP C[C@@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500128397 1091055641 /nfs/dbraw/zinc/05/56/41/1091055641.db2.gz GPAFMYYTRFQGAA-HNNXBMFYSA-N 2 1 365.443 4.497 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464730 1091370554 /nfs/dbraw/zinc/37/05/54/1091370554.db2.gz CYJZDMFTAFOJMX-AEFFLSMTSA-N 2 1 360.448 4.461 20 0 FIADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000500416086 1091469972 /nfs/dbraw/zinc/46/99/72/1091469972.db2.gz MWFMNIRGWZBYHN-VZVUQDNOSA-N 2 1 370.459 4.199 20 0 FIADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000500416085 1091470304 /nfs/dbraw/zinc/47/03/04/1091470304.db2.gz MWFMNIRGWZBYHN-NOCRFKNCSA-N 2 1 370.459 4.199 20 0 FIADMP C[C@H](c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474364 1091592598 /nfs/dbraw/zinc/59/25/98/1091592598.db2.gz IDDUSTUFLFTNHK-APWZRJJASA-N 2 1 370.459 4.039 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213462 1091917881 /nfs/dbraw/zinc/91/78/81/1091917881.db2.gz OIJXIBKKFRMNHK-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213462 1091917882 /nfs/dbraw/zinc/91/78/82/1091917882.db2.gz OIJXIBKKFRMNHK-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213462 1091917888 /nfs/dbraw/zinc/91/78/88/1091917888.db2.gz OIJXIBKKFRMNHK-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213462 1091917891 /nfs/dbraw/zinc/91/78/91/1091917891.db2.gz OIJXIBKKFRMNHK-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213463 1091918443 /nfs/dbraw/zinc/91/84/43/1091918443.db2.gz OIJXIBKKFRMNHK-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213463 1091918447 /nfs/dbraw/zinc/91/84/47/1091918447.db2.gz OIJXIBKKFRMNHK-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213463 1091918452 /nfs/dbraw/zinc/91/84/52/1091918452.db2.gz OIJXIBKKFRMNHK-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213463 1091918454 /nfs/dbraw/zinc/91/84/54/1091918454.db2.gz OIJXIBKKFRMNHK-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP CCC[N@H+](CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279056 1092004865 /nfs/dbraw/zinc/00/48/65/1092004865.db2.gz FOGKTMQDKGGQCH-UHFFFAOYSA-N 2 1 352.526 4.017 20 0 FIADMP CCC[N@@H+](CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279056 1092004877 /nfs/dbraw/zinc/00/48/77/1092004877.db2.gz FOGKTMQDKGGQCH-UHFFFAOYSA-N 2 1 352.526 4.017 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512317913 1092029710 /nfs/dbraw/zinc/02/97/10/1092029710.db2.gz HDSVJUKWNIPNKW-NSHGMRRFSA-N 2 1 352.526 4.176 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc(Cl)c1O ZINC000508339324 1092253998 /nfs/dbraw/zinc/25/39/98/1092253998.db2.gz KZZFFSDFRHNBCW-UHFFFAOYSA-N 2 1 362.901 4.056 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc(Cl)c1O ZINC000508339324 1092254010 /nfs/dbraw/zinc/25/40/10/1092254010.db2.gz KZZFFSDFRHNBCW-UHFFFAOYSA-N 2 1 362.901 4.056 20 0 FIADMP CCCc1nc(C)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000428231911 1092273374 /nfs/dbraw/zinc/27/33/74/1092273374.db2.gz SLWVAOMZCMFWEE-UHFFFAOYSA-N 2 1 355.526 4.280 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012040 1092332712 /nfs/dbraw/zinc/33/27/12/1092332712.db2.gz VEEQKGGUFFDLGM-OPVJXMOQSA-N 2 1 356.485 4.236 20 0 FIADMP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccccc2)cc1OC ZINC000432792881 1092382940 /nfs/dbraw/zinc/38/29/40/1092382940.db2.gz MKUOIERCABJROC-FQEVSTJZSA-N 2 1 368.521 4.287 20 0 FIADMP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2ccccc2)cc1OC ZINC000432792881 1092382950 /nfs/dbraw/zinc/38/29/50/1092382950.db2.gz MKUOIERCABJROC-FQEVSTJZSA-N 2 1 368.521 4.287 20 0 FIADMP COc1cc([C@@H](C)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016650 1092424922 /nfs/dbraw/zinc/42/49/22/1092424922.db2.gz QGBCDIFIFFXLHY-MJGOQNOKSA-N 2 1 371.500 4.182 20 0 FIADMP COCCC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000512495694 1092584535 /nfs/dbraw/zinc/58/45/35/1092584535.db2.gz CTMUIUASURVBED-QGZVFWFLSA-N 2 1 361.917 4.101 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000521312894 1092635761 /nfs/dbraw/zinc/63/57/61/1092635761.db2.gz JAFJTTOFWLCFTG-UWJYYQICSA-N 2 1 364.518 4.254 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000442778706 1092758200 /nfs/dbraw/zinc/75/82/00/1092758200.db2.gz HMBVYAJWGMHQLT-ACBHZAAOSA-N 2 1 354.485 4.110 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000442778706 1092758208 /nfs/dbraw/zinc/75/82/08/1092758208.db2.gz HMBVYAJWGMHQLT-ACBHZAAOSA-N 2 1 354.485 4.110 20 0 FIADMP C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000442825134 1092779858 /nfs/dbraw/zinc/77/98/58/1092779858.db2.gz IEHPVXNOPAMFRH-SXLOBPIMSA-N 2 1 359.517 4.135 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110229063 1092832455 /nfs/dbraw/zinc/83/24/55/1092832455.db2.gz HZIIFEYBSCCXNO-IBGZPJMESA-N 2 1 373.585 4.157 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110229063 1092832462 /nfs/dbraw/zinc/83/24/62/1092832462.db2.gz HZIIFEYBSCCXNO-IBGZPJMESA-N 2 1 373.585 4.157 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000110229063 1092832467 /nfs/dbraw/zinc/83/24/67/1092832467.db2.gz HZIIFEYBSCCXNO-IBGZPJMESA-N 2 1 373.585 4.157 20 0 FIADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000442880727 1092835923 /nfs/dbraw/zinc/83/59/23/1092835923.db2.gz XYGQFESJIRFZFU-KRWDZBQOSA-N 2 1 365.521 4.263 20 0 FIADMP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443062311 1092923988 /nfs/dbraw/zinc/92/39/88/1092923988.db2.gz UKORVFGXLCQIMZ-DENIHFKCSA-N 2 1 365.521 4.044 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246227729 1092931651 /nfs/dbraw/zinc/93/16/51/1092931651.db2.gz FRJNNHZYJGURMV-DYXWJJEUSA-N 2 1 354.469 4.162 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246227729 1092931659 /nfs/dbraw/zinc/93/16/59/1092931659.db2.gz FRJNNHZYJGURMV-DYXWJJEUSA-N 2 1 354.469 4.162 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C1 ZINC000521817456 1092935852 /nfs/dbraw/zinc/93/58/52/1092935852.db2.gz BVINXIUYOIMVBE-ROUUACIJSA-N 2 1 362.521 4.331 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000521833948 1092946464 /nfs/dbraw/zinc/94/64/64/1092946464.db2.gz KYLWAJKEJWZCLP-UHFFFAOYSA-N 2 1 373.859 4.353 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000236930428 1092983686 /nfs/dbraw/zinc/98/36/86/1092983686.db2.gz ZJFMZHLPIMWZOH-FQEVSTJZSA-N 2 1 367.537 4.099 20 0 FIADMP C[C@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443212203 1092985999 /nfs/dbraw/zinc/98/59/99/1092985999.db2.gz LVBVCOCTQQFJLW-IXDOHACOSA-N 2 1 354.498 4.266 20 0 FIADMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000512614125 1092992961 /nfs/dbraw/zinc/99/29/61/1092992961.db2.gz UXGIGPGNHMPXGI-QHAWAJNXSA-N 2 1 369.578 4.193 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512630990 1093037462 /nfs/dbraw/zinc/03/74/62/1093037462.db2.gz OZIITJAICSWKRU-JRGCBEDISA-N 2 1 355.913 4.125 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512630990 1093037469 /nfs/dbraw/zinc/03/74/69/1093037469.db2.gz OZIITJAICSWKRU-JRGCBEDISA-N 2 1 355.913 4.125 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512644197 1093058723 /nfs/dbraw/zinc/05/87/23/1093058723.db2.gz ZZEALLKTKIQGTN-BUPNWXMQSA-N 2 1 370.581 4.470 20 0 FIADMP COC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512648503 1093069579 /nfs/dbraw/zinc/06/95/79/1093069579.db2.gz NQPZAFHXJZZFDZ-CIAQSOCLSA-N 2 1 356.554 4.082 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CCC(F)(F)CC3)CC2)oc1C ZINC000474047196 1093138759 /nfs/dbraw/zinc/13/87/59/1093138759.db2.gz SUBDPQMSIDQCCW-HNNXBMFYSA-N 2 1 369.500 4.307 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018831 1093174050 /nfs/dbraw/zinc/17/40/50/1093174050.db2.gz FKQAJDHXUBTAJU-VTYHHJSWSA-N 2 1 352.522 4.487 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)c1 ZINC000474076663 1093189862 /nfs/dbraw/zinc/18/98/62/1093189862.db2.gz YSCNBLYBAYVAQR-YXYSEUPNSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)c1 ZINC000474076663 1093189869 /nfs/dbraw/zinc/18/98/69/1093189869.db2.gz YSCNBLYBAYVAQR-YXYSEUPNSA-N 2 1 362.583 4.145 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000443626448 1093341255 /nfs/dbraw/zinc/34/12/55/1093341255.db2.gz IEFKJVTVDYSGQN-UHFFFAOYSA-N 2 1 363.452 4.174 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000389082511 1093348106 /nfs/dbraw/zinc/34/81/06/1093348106.db2.gz DMSRXISUTXJOCV-DENIHFKCSA-N 2 1 352.522 4.215 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000512846955 1093446561 /nfs/dbraw/zinc/44/65/61/1093446561.db2.gz RZGVQLKSZXFGIZ-SFHVURJKSA-N 2 1 358.913 4.350 20 0 FIADMP C[C@H]1CC([NH2+]CCCC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168027927 1093525287 /nfs/dbraw/zinc/52/52/87/1093525287.db2.gz NNPHBPRKILCEJC-PMACEKPBSA-N 2 1 357.586 4.140 20 0 FIADMP C[C@@H]1CC([NH2+]CCCC2CC[NH+](C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168027931 1093525623 /nfs/dbraw/zinc/52/56/23/1093525623.db2.gz NNPHBPRKILCEJC-WOJBJXKFSA-N 2 1 357.586 4.140 20 0 FIADMP CC[N@@H+](CCCc1ccc(C)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474274983 1093634797 /nfs/dbraw/zinc/63/47/97/1093634797.db2.gz NWFUXWGOMQAYTG-HSZRJFAPSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1ccc(C)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474274983 1093634800 /nfs/dbraw/zinc/63/48/00/1093634800.db2.gz NWFUXWGOMQAYTG-HSZRJFAPSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1ccc(C)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474274983 1093634807 /nfs/dbraw/zinc/63/48/07/1093634807.db2.gz NWFUXWGOMQAYTG-HSZRJFAPSA-N 2 1 351.538 4.167 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168032537 1093659769 /nfs/dbraw/zinc/65/97/69/1093659769.db2.gz HWAXIILUEVWSIO-NFGCXPRFSA-N 2 1 369.597 4.410 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032537 1093659771 /nfs/dbraw/zinc/65/97/71/1093659771.db2.gz HWAXIILUEVWSIO-NFGCXPRFSA-N 3 1 369.597 4.410 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032537 1093659773 /nfs/dbraw/zinc/65/97/73/1093659773.db2.gz HWAXIILUEVWSIO-NFGCXPRFSA-N 3 1 369.597 4.410 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032537 1093659774 /nfs/dbraw/zinc/65/97/74/1093659774.db2.gz HWAXIILUEVWSIO-NFGCXPRFSA-N 3 1 369.597 4.410 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032537 1093659775 /nfs/dbraw/zinc/65/97/75/1093659775.db2.gz HWAXIILUEVWSIO-NFGCXPRFSA-N 3 1 369.597 4.410 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000513052910 1093697591 /nfs/dbraw/zinc/69/75/91/1093697591.db2.gz UHINXJVCYUNDCF-CVDCTZTESA-N 2 1 359.517 4.420 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000513052910 1093697595 /nfs/dbraw/zinc/69/75/95/1093697595.db2.gz UHINXJVCYUNDCF-CVDCTZTESA-N 2 1 359.517 4.420 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CNCc2nc3ccc(OC)cc3s2)c1 ZINC000474347433 1093697608 /nfs/dbraw/zinc/69/76/08/1093697608.db2.gz FZWWVDNZTYNOJR-UHFFFAOYSA-N 2 1 355.507 4.046 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccc(OC)cc3s2)c1 ZINC000474347433 1093697612 /nfs/dbraw/zinc/69/76/12/1093697612.db2.gz FZWWVDNZTYNOJR-UHFFFAOYSA-N 2 1 355.507 4.046 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccc(OC)cc3s2)c1 ZINC000474347433 1093697615 /nfs/dbraw/zinc/69/76/15/1093697615.db2.gz FZWWVDNZTYNOJR-UHFFFAOYSA-N 2 1 355.507 4.046 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513063791 1093715708 /nfs/dbraw/zinc/71/57/08/1093715708.db2.gz IPMSNMKPHANNDL-UTKZUKDTSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000513063791 1093715716 /nfs/dbraw/zinc/71/57/16/1093715716.db2.gz IPMSNMKPHANNDL-UTKZUKDTSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@@H]1CC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033470 1093721185 /nfs/dbraw/zinc/72/11/85/1093721185.db2.gz LAJZBMGCRQMCDC-NJYVYQBISA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1CC([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033470 1093721191 /nfs/dbraw/zinc/72/11/91/1093721191.db2.gz LAJZBMGCRQMCDC-NJYVYQBISA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033470 1093721193 /nfs/dbraw/zinc/72/11/93/1093721193.db2.gz LAJZBMGCRQMCDC-NJYVYQBISA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034692 1093763457 /nfs/dbraw/zinc/76/34/57/1093763457.db2.gz QPYAUDKPGDULSM-HATOLVCRSA-N 2 1 351.538 4.434 20 0 FIADMP Cc1ccnc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001168034747 1093768099 /nfs/dbraw/zinc/76/80/99/1093768099.db2.gz RBTZODMTIBHGGD-VTYHHJSWSA-N 2 1 363.549 4.453 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078918 1093780714 /nfs/dbraw/zinc/78/07/14/1093780714.db2.gz XNNNSPANOYARGD-CEMLEFRQSA-N 2 1 369.553 4.305 20 0 FIADMP Cc1noc2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCCC[C@H]3C)cc12 ZINC000894179361 1093889772 /nfs/dbraw/zinc/88/97/72/1093889772.db2.gz QWOJSXRGXZOOBQ-MRXNPFEDSA-N 2 1 364.493 4.195 20 0 FIADMP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513149501 1093909084 /nfs/dbraw/zinc/90/90/84/1093909084.db2.gz LNTJEISMRNASIP-CBQGHPETSA-N 2 1 350.506 4.323 20 0 FIADMP C[NH+](Cc1ccc(OCc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513149501 1093909085 /nfs/dbraw/zinc/90/90/85/1093909085.db2.gz LNTJEISMRNASIP-CBQGHPETSA-N 2 1 350.506 4.323 20 0 FIADMP C[NH+](Cc1ccc(OCc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513149501 1093909086 /nfs/dbraw/zinc/90/90/86/1093909086.db2.gz LNTJEISMRNASIP-CBQGHPETSA-N 2 1 350.506 4.323 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000729321118 1093962544 /nfs/dbraw/zinc/96/25/44/1093962544.db2.gz SIHQYFHZYDNJRN-IBGZPJMESA-N 2 1 357.542 4.266 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000513350413 1094073803 /nfs/dbraw/zinc/07/38/03/1094073803.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350413 1094073811 /nfs/dbraw/zinc/07/38/11/1094073811.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350413 1094073818 /nfs/dbraw/zinc/07/38/18/1094073818.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350413 1094073825 /nfs/dbraw/zinc/07/38/25/1094073825.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 3 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350413 1094073833 /nfs/dbraw/zinc/07/38/33/1094073833.db2.gz HSWGNYLHCNHDKB-JFJDKTSWSA-N 3 1 369.597 4.282 20 0 FIADMP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000513499810 1094172758 /nfs/dbraw/zinc/17/27/58/1094172758.db2.gz IXZCODLMEVSWNO-RXVVDRJESA-N 2 1 368.521 4.094 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)o1 ZINC000513696857 1094363587 /nfs/dbraw/zinc/36/35/87/1094363587.db2.gz FIFPJRSCQCZEAF-QNWVGRARSA-N 2 1 367.537 4.114 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000513703684 1094411661 /nfs/dbraw/zinc/41/16/61/1094411661.db2.gz YTAFXKCLPSWFPR-FDFHNCONSA-N 2 1 350.506 4.195 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039380 1094460217 /nfs/dbraw/zinc/46/02/17/1094460217.db2.gz DQJYVLTWMGEYQG-ROUUACIJSA-N 2 1 362.521 4.174 20 0 FIADMP COc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1SC ZINC000501064803 1094476442 /nfs/dbraw/zinc/47/64/42/1094476442.db2.gz ZDFZYUUZWJQPRP-UHFFFAOYSA-N 2 1 371.550 4.161 20 0 FIADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501117704 1094516239 /nfs/dbraw/zinc/51/62/39/1094516239.db2.gz IKSWJYPPYRPVIK-QHAWAJNXSA-N 2 1 365.565 4.391 20 0 FIADMP Fc1ccc(C(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccc(F)cc2)cc1 ZINC000501377264 1094669183 /nfs/dbraw/zinc/66/91/83/1094669183.db2.gz KBTSBMDEWOFMCT-MRXNPFEDSA-N 2 1 356.460 4.171 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000501405053 1094696013 /nfs/dbraw/zinc/69/60/13/1094696013.db2.gz IIUMSDQXJUGOCI-QPPBQGQZSA-N 2 1 363.549 4.405 20 0 FIADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000501438777 1094712440 /nfs/dbraw/zinc/71/24/40/1094712440.db2.gz VKQKAMVZVAUMOX-UHFFFAOYSA-N 2 1 353.441 4.181 20 0 FIADMP CCc1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000428305427 1094846681 /nfs/dbraw/zinc/84/66/81/1094846681.db2.gz KRTPFBWPIQTSON-UHFFFAOYSA-N 2 1 353.510 4.034 20 0 FIADMP Cc1nc([C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000420308266 1094872834 /nfs/dbraw/zinc/87/28/34/1094872834.db2.gz NIMGCBOLAKKFLY-HNNXBMFYSA-N 2 1 359.901 4.440 20 0 FIADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000522799480 1095690540 /nfs/dbraw/zinc/69/05/40/1095690540.db2.gz DSWPFAVZROZDKE-QHAWAJNXSA-N 2 1 365.565 4.391 20 0 FIADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1Br ZINC000502692487 1095704868 /nfs/dbraw/zinc/70/48/68/1095704868.db2.gz OOHVULMZVSLGFV-UHFFFAOYSA-N 2 1 350.304 4.256 20 0 FIADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1Br ZINC000502692487 1095704882 /nfs/dbraw/zinc/70/48/82/1095704882.db2.gz OOHVULMZVSLGFV-UHFFFAOYSA-N 2 1 350.304 4.256 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)oc1C ZINC000502699453 1095722645 /nfs/dbraw/zinc/72/26/45/1095722645.db2.gz YYVOKKWCZDKNPE-KSZLIROESA-N 2 1 356.510 4.356 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CC24CCSCC4)C3)cc1 ZINC000421872274 1095980812 /nfs/dbraw/zinc/98/08/12/1095980812.db2.gz GNLOTSVIFWUHJK-MXEMCNAFSA-N 2 1 356.579 4.305 20 0 FIADMP c1ccc([C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccn2)cc1 ZINC000422763538 1096492567 /nfs/dbraw/zinc/49/25/67/1096492567.db2.gz OUSCXBVQMRUANK-YFNKSVMNSA-N 2 1 371.484 4.017 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000422858662 1096507464 /nfs/dbraw/zinc/50/74/64/1096507464.db2.gz IPJDYQXNYMWXNL-PXARDIRTSA-N 2 1 371.550 4.347 20 0 FIADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422880321 1096511088 /nfs/dbraw/zinc/51/10/88/1096511088.db2.gz WSXVLFSCADGUJF-TVQRCGJNSA-N 2 1 353.240 4.073 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)cc1 ZINC000422886276 1096512973 /nfs/dbraw/zinc/51/29/73/1096512973.db2.gz IRNMASFDOKZXPK-BHDDXSALSA-N 2 1 369.484 4.413 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422888793 1096515218 /nfs/dbraw/zinc/51/52/18/1096515218.db2.gz NYEKAZOMVINLGR-NJDAHSKKSA-N 2 1 355.457 4.023 20 0 FIADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422869547 1096516464 /nfs/dbraw/zinc/51/64/64/1096516464.db2.gz ANMVREDDQPARLX-GVDBMIGSSA-N 2 1 368.468 4.087 20 0 FIADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000422918088 1096531847 /nfs/dbraw/zinc/53/18/47/1096531847.db2.gz HKBHIPIYLGZKFT-KUHUBIRLSA-N 2 1 368.855 4.051 20 0 FIADMP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1Cl ZINC000423019244 1096550157 /nfs/dbraw/zinc/55/01/57/1096550157.db2.gz UVENXWIRLXGPFC-DVWBAYGPSA-N 2 1 374.887 4.392 20 0 FIADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423021379 1096551574 /nfs/dbraw/zinc/55/15/74/1096551574.db2.gz BXNYJEZNXRUHKX-AUUYWEPGSA-N 2 1 367.320 4.058 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423032848 1096554970 /nfs/dbraw/zinc/55/49/70/1096554970.db2.gz YUIZXPREDSWDKO-YVEFUNNKSA-N 2 1 355.379 4.332 20 0 FIADMP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000423038173 1096557023 /nfs/dbraw/zinc/55/70/23/1096557023.db2.gz NXFZRJCTPVHPMS-ZKYQVNSYSA-N 2 1 365.237 4.030 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@H](CC[NH3+])C1)C1CCCCC1 ZINC000414713361 1096557052 /nfs/dbraw/zinc/55/70/52/1096557052.db2.gz OYUWPWHAAZFUJQ-SFHVURJKSA-N 2 1 372.557 4.044 20 0 FIADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423097916 1096574197 /nfs/dbraw/zinc/57/41/97/1096574197.db2.gz RMZDRZSRGQKPDM-GALXQHASSA-N 2 1 362.439 4.500 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000414715782 1096574241 /nfs/dbraw/zinc/57/42/41/1096574241.db2.gz NMGQRDWDXHRNDS-INIZCTEOSA-N 2 1 354.922 4.101 20 0 FIADMP Cc1ncsc1C[N@@H+](CCc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC000414721412 1096598214 /nfs/dbraw/zinc/59/82/14/1096598214.db2.gz CAYNUSSRZDMLQE-IBGZPJMESA-N 2 1 357.567 4.229 20 0 FIADMP c1cc2c(cccc2CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000503951805 1096610178 /nfs/dbraw/zinc/61/01/78/1096610178.db2.gz YFSXYPDPUSRVBG-KOUNCHBCSA-N 2 1 359.517 4.496 20 0 FIADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000423191535 1096612042 /nfs/dbraw/zinc/61/20/42/1096612042.db2.gz STKNKAWNKGZBIJ-MRXNPFEDSA-N 2 1 361.917 4.353 20 0 FIADMP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414727764 1096629888 /nfs/dbraw/zinc/62/98/88/1096629888.db2.gz BOBFDISXDLHNGK-ZIAGYGMSSA-N 2 1 372.340 4.032 20 0 FIADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000504082081 1096658405 /nfs/dbraw/zinc/65/84/05/1096658405.db2.gz WBNPEMIMVLPREF-KDURUIRLSA-N 2 1 354.542 4.233 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000423385210 1096662708 /nfs/dbraw/zinc/66/27/08/1096662708.db2.gz GOLSOUMQMUFVGX-CCKFTAQKSA-N 2 1 359.311 4.126 20 0 FIADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423445663 1096678470 /nfs/dbraw/zinc/67/84/70/1096678470.db2.gz MYXFZKCTPGCSKH-VWYCJHECSA-N 2 1 368.344 4.267 20 0 FIADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423447470 1096679328 /nfs/dbraw/zinc/67/93/28/1096679328.db2.gz PBSCCJAANYYHGU-MXWKQRLJSA-N 2 1 368.344 4.267 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000532967484 1098635764 /nfs/dbraw/zinc/63/57/64/1098635764.db2.gz DDDXCWQKQZVTRK-NRFANRHFSA-N 2 1 374.532 4.452 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000532967484 1098635766 /nfs/dbraw/zinc/63/57/66/1098635766.db2.gz DDDXCWQKQZVTRK-NRFANRHFSA-N 2 1 374.532 4.452 20 0 FIADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533075800 1098742568 /nfs/dbraw/zinc/74/25/68/1098742568.db2.gz PMTGKRHOBWOHTA-MAUKXSAKSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533075800 1098742579 /nfs/dbraw/zinc/74/25/79/1098742579.db2.gz PMTGKRHOBWOHTA-MAUKXSAKSA-N 2 1 354.416 4.034 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533075800 1098742588 /nfs/dbraw/zinc/74/25/88/1098742588.db2.gz PMTGKRHOBWOHTA-MAUKXSAKSA-N 2 1 354.416 4.034 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)CCC2 ZINC000533166935 1098836736 /nfs/dbraw/zinc/83/67/36/1098836736.db2.gz JOEUKIJTKBQGHJ-CYFREDJKSA-N 2 1 364.533 4.383 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)CCC2 ZINC000533166935 1098836746 /nfs/dbraw/zinc/83/67/46/1098836746.db2.gz JOEUKIJTKBQGHJ-CYFREDJKSA-N 2 1 364.533 4.383 20 0 FIADMP Fc1cccc2[nH]c(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc21 ZINC000436281731 1098884524 /nfs/dbraw/zinc/88/45/24/1098884524.db2.gz OXTGQNVZIZTWGJ-UHFFFAOYSA-N 2 1 351.469 4.104 20 0 FIADMP COCCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CCCCC1 ZINC000436285834 1098892046 /nfs/dbraw/zinc/89/20/46/1098892046.db2.gz REIMLNZDXPEVOW-UHFFFAOYSA-N 2 1 359.489 4.396 20 0 FIADMP Fc1cccc2[nH]c(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc21 ZINC000436273702 1098900204 /nfs/dbraw/zinc/90/02/04/1098900204.db2.gz JVVWMVDPCKXAFZ-OAHLLOKOSA-N 2 1 357.498 4.370 20 0 FIADMP Fc1cccc2[nH]c(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000436273702 1098900212 /nfs/dbraw/zinc/90/02/12/1098900212.db2.gz JVVWMVDPCKXAFZ-OAHLLOKOSA-N 2 1 357.498 4.370 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298647 1098911207 /nfs/dbraw/zinc/91/12/07/1098911207.db2.gz ZLNCRFBCMIPSNA-AEFFLSMTSA-N 2 1 351.469 4.450 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298650 1098911336 /nfs/dbraw/zinc/91/13/36/1098911336.db2.gz ZLNCRFBCMIPSNA-WMZOPIPTSA-N 2 1 351.469 4.450 20 0 FIADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436307815 1098930054 /nfs/dbraw/zinc/93/00/54/1098930054.db2.gz LOZDPJSMPYVGAT-IEBWSBKVSA-N 2 1 354.542 4.271 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000533310611 1098946265 /nfs/dbraw/zinc/94/62/65/1098946265.db2.gz CPVQZTLISUAYCY-UWJYYQICSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000533310611 1098946267 /nfs/dbraw/zinc/94/62/67/1098946267.db2.gz CPVQZTLISUAYCY-UWJYYQICSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310611 1098946268 /nfs/dbraw/zinc/94/62/68/1098946268.db2.gz CPVQZTLISUAYCY-UWJYYQICSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310611 1098946270 /nfs/dbraw/zinc/94/62/70/1098946270.db2.gz CPVQZTLISUAYCY-UWJYYQICSA-N 2 1 356.485 4.319 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436402230 1098991859 /nfs/dbraw/zinc/99/18/59/1098991859.db2.gz UUDUNPQTOLPFFS-HUVFLSCGSA-N 2 1 364.533 4.069 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447236 1099072491 /nfs/dbraw/zinc/07/24/91/1099072491.db2.gz PKNCLIJZTXZWHN-ZIAGYGMSSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447236 1099072504 /nfs/dbraw/zinc/07/25/04/1099072504.db2.gz PKNCLIJZTXZWHN-ZIAGYGMSSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447236 1099072514 /nfs/dbraw/zinc/07/25/14/1099072514.db2.gz PKNCLIJZTXZWHN-ZIAGYGMSSA-N 2 1 372.340 4.127 20 0 FIADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000729686649 1099112288 /nfs/dbraw/zinc/11/22/88/1099112288.db2.gz QXPZBPDDWDMURY-UHFFFAOYSA-N 2 1 361.555 4.061 20 0 FIADMP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001211993983 1099131636 /nfs/dbraw/zinc/13/16/36/1099131636.db2.gz HXTUAJNVBVGGHK-UHFFFAOYSA-N 2 1 370.516 4.163 20 0 FIADMP CCC[N@H+](Cc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533518054 1099137602 /nfs/dbraw/zinc/13/76/02/1099137602.db2.gz VLWXYWASYKBEFV-UHFFFAOYSA-N 2 1 356.489 4.114 20 0 FIADMP CCC[N@@H+](Cc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533518054 1099137614 /nfs/dbraw/zinc/13/76/14/1099137614.db2.gz VLWXYWASYKBEFV-UHFFFAOYSA-N 2 1 356.489 4.114 20 0 FIADMP Cc1ccncc1CCC[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000516116560 1099196332 /nfs/dbraw/zinc/19/63/32/1099196332.db2.gz NMGKSZLAUGERFB-FQEVSTJZSA-N 2 1 351.538 4.487 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000516197009 1099260269 /nfs/dbraw/zinc/26/02/69/1099260269.db2.gz RVGKVTZJNLWNAT-UHFFFAOYSA-N 2 1 368.452 4.349 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000248442112 1099402786 /nfs/dbraw/zinc/40/27/86/1099402786.db2.gz KOWLWPCNCMFEAV-RRMPHLOHSA-N 2 1 371.550 4.440 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000248442112 1099402792 /nfs/dbraw/zinc/40/27/92/1099402792.db2.gz KOWLWPCNCMFEAV-RRMPHLOHSA-N 2 1 371.550 4.440 20 0 FIADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437083791 1099588889 /nfs/dbraw/zinc/58/88/89/1099588889.db2.gz JDDREDCXJUCMKR-OKYOBFRVSA-N 2 1 354.460 4.464 20 0 FIADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000437083790 1099589472 /nfs/dbraw/zinc/58/94/72/1099589472.db2.gz JDDREDCXJUCMKR-MKXGPGLRSA-N 2 1 354.460 4.464 20 0 FIADMP COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)CCO2 ZINC000261678638 1099638525 /nfs/dbraw/zinc/63/85/25/1099638525.db2.gz IDQBNMCQRXEYNV-JOCHJYFZSA-N 2 1 366.505 4.021 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc4c(s3)CCCC4)CC2)nc(C)[nH+]1 ZINC000162258674 1099665451 /nfs/dbraw/zinc/66/54/51/1099665451.db2.gz BACUPSMMUGKQFB-OAHLLOKOSA-N 2 1 370.566 4.353 20 0 FIADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162303743 1099682045 /nfs/dbraw/zinc/68/20/45/1099682045.db2.gz BNDORCBYOHRJAR-CQSZACIVSA-N 2 1 374.916 4.075 20 0 FIADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000262035917 1099688539 /nfs/dbraw/zinc/68/85/39/1099688539.db2.gz XTQFVYVDHZUDSJ-SNVBAGLBSA-N 2 1 365.237 4.027 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692887 1099827430 /nfs/dbraw/zinc/82/74/30/1099827430.db2.gz BPZUNCCJIVRRJS-WSTZPKSXSA-N 2 1 356.485 4.093 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698489 1099831380 /nfs/dbraw/zinc/83/13/80/1099831380.db2.gz OPJHTDOSPOBOBW-UGKGYDQZSA-N 2 1 352.522 4.046 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508702247 1099856860 /nfs/dbraw/zinc/85/68/60/1099856860.db2.gz VZBCVXKACOATEQ-GBAAUQCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702247 1099856883 /nfs/dbraw/zinc/85/68/83/1099856883.db2.gz VZBCVXKACOATEQ-GBAAUQCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702247 1099856899 /nfs/dbraw/zinc/85/68/99/1099856899.db2.gz VZBCVXKACOATEQ-GBAAUQCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702247 1099856917 /nfs/dbraw/zinc/85/69/17/1099856917.db2.gz VZBCVXKACOATEQ-GBAAUQCPSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702247 1099856942 /nfs/dbraw/zinc/85/69/42/1099856942.db2.gz VZBCVXKACOATEQ-GBAAUQCPSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703639 1099857669 /nfs/dbraw/zinc/85/76/69/1099857669.db2.gz ZEWFWECILGOBCE-MZKRTTBSSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713917 1099886279 /nfs/dbraw/zinc/88/62/79/1099886279.db2.gz GOOBVPBIKZZVJD-PMOQBDJRSA-N 2 1 352.522 4.000 20 0 FIADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711706 1099902536 /nfs/dbraw/zinc/90/25/36/1099902536.db2.gz OZVDSXUEROQNBC-MZKRTTBSSA-N 2 1 366.549 4.374 20 0 FIADMP C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719421 1099909373 /nfs/dbraw/zinc/90/93/73/1099909373.db2.gz PMBGZVHOMMMZBP-IEBWSBKVSA-N 2 1 371.594 4.483 20 0 FIADMP C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722251 1099940262 /nfs/dbraw/zinc/94/02/62/1099940262.db2.gz WWZUFQXBUHBYPC-UYAOXDASSA-N 2 1 352.497 4.358 20 0 FIADMP C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722673 1099942571 /nfs/dbraw/zinc/94/25/71/1099942571.db2.gz YJVDMFLEUXLQJB-YLJYHZDGSA-N 2 1 365.496 4.350 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C)c(C)c3)CC2)oc1C ZINC000162745859 1099980587 /nfs/dbraw/zinc/98/05/87/1099980587.db2.gz FRALZVXANFBFAQ-GOSISDBHSA-N 2 1 355.526 4.471 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664461 1100135683 /nfs/dbraw/zinc/13/56/83/1100135683.db2.gz CWBMIDQTPNLZPK-HXUWFJFHSA-N 2 1 353.510 4.346 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664461 1100135691 /nfs/dbraw/zinc/13/56/91/1100135691.db2.gz CWBMIDQTPNLZPK-HXUWFJFHSA-N 2 1 353.510 4.346 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664461 1100135698 /nfs/dbraw/zinc/13/56/98/1100135698.db2.gz CWBMIDQTPNLZPK-HXUWFJFHSA-N 2 1 353.510 4.346 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000536664461 1100135708 /nfs/dbraw/zinc/13/57/08/1100135708.db2.gz CWBMIDQTPNLZPK-HXUWFJFHSA-N 2 1 353.510 4.346 20 0 FIADMP C/C(=C\c1ccccc1)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000536665587 1100138831 /nfs/dbraw/zinc/13/88/31/1100138831.db2.gz RXBPCMQCBJQHID-XUTLUUPISA-N 2 1 369.597 4.218 20 0 FIADMP C/C(=C\c1ccccc1)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536665587 1100138834 /nfs/dbraw/zinc/13/88/34/1100138834.db2.gz RXBPCMQCBJQHID-XUTLUUPISA-N 3 1 369.597 4.218 20 0 FIADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536665587 1100138843 /nfs/dbraw/zinc/13/88/43/1100138843.db2.gz RXBPCMQCBJQHID-XUTLUUPISA-N 3 1 369.597 4.218 20 0 FIADMP CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000536675120 1100163644 /nfs/dbraw/zinc/16/36/44/1100163644.db2.gz OCDDVVSFKOVGFN-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000536675120 1100163651 /nfs/dbraw/zinc/16/36/51/1100163651.db2.gz OCDDVVSFKOVGFN-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000536675120 1100163657 /nfs/dbraw/zinc/16/36/57/1100163657.db2.gz OCDDVVSFKOVGFN-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000536675120 1100163664 /nfs/dbraw/zinc/16/36/64/1100163664.db2.gz OCDDVVSFKOVGFN-QHCPKHFHSA-N 2 1 366.553 4.008 20 0 FIADMP Cc1nc2ccccn2c1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000536674913 1100164494 /nfs/dbraw/zinc/16/44/94/1100164494.db2.gz HQKUICGGOBESHS-XMMPIXPASA-N 2 1 374.532 4.131 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2ccc(F)cc21 ZINC000536713246 1100214268 /nfs/dbraw/zinc/21/42/68/1100214268.db2.gz MCZWFHSEWKMLTB-QFIPXVFZSA-N 2 1 353.485 4.447 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379619197 1100218237 /nfs/dbraw/zinc/21/82/37/1100218237.db2.gz BCYMFPDNAKCYGZ-CMKODMSKSA-N 2 1 368.521 4.408 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379619197 1100218243 /nfs/dbraw/zinc/21/82/43/1100218243.db2.gz BCYMFPDNAKCYGZ-CMKODMSKSA-N 2 1 368.521 4.408 20 0 FIADMP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000425929491 1100291477 /nfs/dbraw/zinc/29/14/77/1100291477.db2.gz MIDIHIMVEJJXTH-JOCHJYFZSA-N 2 1 369.940 4.483 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000536862571 1100378936 /nfs/dbraw/zinc/37/89/36/1100378936.db2.gz IZGRBHLNIUDNIV-QGZVFWFLSA-N 2 1 355.295 4.038 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1 ZINC000536878375 1100399303 /nfs/dbraw/zinc/39/93/03/1100399303.db2.gz ONZPALXRBAXIDW-PNLZDCPESA-N 2 1 374.488 4.025 20 0 FIADMP CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000517538150 1100458843 /nfs/dbraw/zinc/45/88/43/1100458843.db2.gz NKADPILCKOJPAA-UHFFFAOYSA-N 2 1 368.521 4.022 20 0 FIADMP CCCOc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000517538150 1100458850 /nfs/dbraw/zinc/45/88/50/1100458850.db2.gz NKADPILCKOJPAA-UHFFFAOYSA-N 2 1 368.521 4.022 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426025596 1100685705 /nfs/dbraw/zinc/68/57/05/1100685705.db2.gz XIHHRLGZCXAWTB-KKSFZXQISA-N 2 1 368.912 4.450 20 0 FIADMP Cc1cnn(-c2cc[nH+]cc2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000518236803 1101035985 /nfs/dbraw/zinc/03/59/85/1101035985.db2.gz ZSYDPMBQPJPBAP-AZUAARDMSA-N 2 1 361.493 4.041 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475311 1101123508 /nfs/dbraw/zinc/12/35/08/1101123508.db2.gz VGQGPQQUTLKLIB-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475311 1101123509 /nfs/dbraw/zinc/12/35/09/1101123509.db2.gz VGQGPQQUTLKLIB-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475311 1101123518 /nfs/dbraw/zinc/12/35/18/1101123518.db2.gz VGQGPQQUTLKLIB-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475311 1101123525 /nfs/dbraw/zinc/12/35/25/1101123525.db2.gz VGQGPQQUTLKLIB-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000426335054 1101288341 /nfs/dbraw/zinc/28/83/41/1101288341.db2.gz NKPOUSQBKFKIPI-RYRKJORJSA-N 2 1 363.343 4.289 20 0 FIADMP Clc1cnc2oc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000648438524 1101340528 /nfs/dbraw/zinc/34/05/28/1101340528.db2.gz XXWAPALVMPWDSD-QGZVFWFLSA-N 2 1 369.896 4.483 20 0 FIADMP Clc1cnc2oc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000648438524 1101340539 /nfs/dbraw/zinc/34/05/39/1101340539.db2.gz XXWAPALVMPWDSD-QGZVFWFLSA-N 2 1 369.896 4.483 20 0 FIADMP Cc1nc2ccc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)cc2s1 ZINC000426357473 1101364967 /nfs/dbraw/zinc/36/49/67/1101364967.db2.gz QPKCIQBUPMTTHG-UHFFFAOYSA-N 2 1 366.534 4.348 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640505 1101369918 /nfs/dbraw/zinc/36/99/18/1101369918.db2.gz LGWJDMCQCLQUOY-GCJKJVERSA-N 2 1 365.521 4.160 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000518640505 1101369929 /nfs/dbraw/zinc/36/99/29/1101369929.db2.gz LGWJDMCQCLQUOY-GCJKJVERSA-N 2 1 365.521 4.160 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000537014669 1101395232 /nfs/dbraw/zinc/39/52/32/1101395232.db2.gz WJARBFWHJIKNLO-UZLBHIALSA-N 2 1 359.514 4.188 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000537308407 1101636351 /nfs/dbraw/zinc/63/63/51/1101636351.db2.gz VXPSMDJBKNDTSY-KKXDTOCCSA-N 2 1 362.901 4.115 20 0 FIADMP Clc1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000648452086 1101729079 /nfs/dbraw/zinc/72/90/79/1101729079.db2.gz FOTSNJWDUCBSPK-JRGCBEDISA-N 2 1 362.945 4.209 20 0 FIADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168279057 1101826963 /nfs/dbraw/zinc/82/69/63/1101826963.db2.gz HYGAFPIVHOVJOA-HSZRJFAPSA-N 2 1 364.533 4.149 20 0 FIADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168279057 1101826978 /nfs/dbraw/zinc/82/69/78/1101826978.db2.gz HYGAFPIVHOVJOA-HSZRJFAPSA-N 2 1 364.533 4.149 20 0 FIADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1Br ZINC001167965379 1101839890 /nfs/dbraw/zinc/83/98/90/1101839890.db2.gz DGRUCDIBYXTOPZ-MQVJKMGUSA-N 2 1 367.306 4.083 20 0 FIADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1Br ZINC001167965379 1101839905 /nfs/dbraw/zinc/83/99/05/1101839905.db2.gz DGRUCDIBYXTOPZ-MQVJKMGUSA-N 2 1 367.306 4.083 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000392714813 1101848103 /nfs/dbraw/zinc/84/81/03/1101848103.db2.gz ZJPGLRAEIOMWMN-HZMBPMFUSA-N 2 1 354.338 4.297 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000392714813 1101848115 /nfs/dbraw/zinc/84/81/15/1101848115.db2.gz ZJPGLRAEIOMWMN-HZMBPMFUSA-N 2 1 354.338 4.297 20 0 FIADMP Fc1ccccc1COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248771090 1101891322 /nfs/dbraw/zinc/89/13/22/1101891322.db2.gz QXFQTKUSFIJWAM-PMACEKPBSA-N 2 1 354.469 4.121 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996903 1101958539 /nfs/dbraw/zinc/95/85/39/1101958539.db2.gz SXEYZULUSUOOGX-LLGFUMIMSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996903 1101958543 /nfs/dbraw/zinc/95/85/43/1101958543.db2.gz SXEYZULUSUOOGX-LLGFUMIMSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@H](C)O1 ZINC000060368509 1101975553 /nfs/dbraw/zinc/97/55/53/1101975553.db2.gz BEWUJQOSNOYXKJ-GJZGRUSLSA-N 2 1 371.352 4.315 20 0 FIADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183378 1102083900 /nfs/dbraw/zinc/08/39/00/1102083900.db2.gz PYWVTJBANDYGPH-NQIIRXRSSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183378 1102083914 /nfs/dbraw/zinc/08/39/14/1102083914.db2.gz PYWVTJBANDYGPH-NQIIRXRSSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183378 1102083931 /nfs/dbraw/zinc/08/39/31/1102083931.db2.gz PYWVTJBANDYGPH-NQIIRXRSSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183378 1102083944 /nfs/dbraw/zinc/08/39/44/1102083944.db2.gz PYWVTJBANDYGPH-NQIIRXRSSA-N 2 1 364.961 4.094 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@H](C)C1 ZINC000467399098 1102230362 /nfs/dbraw/zinc/23/03/62/1102230362.db2.gz CYLUZKLHCNGIGD-APWZRJJASA-N 2 1 372.475 4.240 20 0 FIADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630878 1102255866 /nfs/dbraw/zinc/25/58/66/1102255866.db2.gz GKTYGKUMKXUPTB-NQIIRXRSSA-N 2 1 368.521 4.189 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550796836 1102328766 /nfs/dbraw/zinc/32/87/66/1102328766.db2.gz CXTJJYSDAPWWDG-MLCQCVOFSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550796836 1102328779 /nfs/dbraw/zinc/32/87/79/1102328779.db2.gz CXTJJYSDAPWWDG-MLCQCVOFSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550796833 1102329326 /nfs/dbraw/zinc/32/93/26/1102329326.db2.gz CXTJJYSDAPWWDG-AFXVXQJMSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550796833 1102329340 /nfs/dbraw/zinc/32/93/40/1102329340.db2.gz CXTJJYSDAPWWDG-AFXVXQJMSA-N 2 1 350.506 4.189 20 0 FIADMP CN(Cc1cnc(C(C)(C)C)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537632829 1102329496 /nfs/dbraw/zinc/32/94/96/1102329496.db2.gz UKJHUOIBCMLWKH-SFHVURJKSA-N 2 1 357.567 4.395 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000532447321 1102339127 /nfs/dbraw/zinc/33/91/27/1102339127.db2.gz BFAQJRJXEYZZSD-SFHVURJKSA-N 2 1 371.956 4.328 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000532451265 1102347371 /nfs/dbraw/zinc/34/73/71/1102347371.db2.gz OWFGSVACPBUMDJ-UHFFFAOYSA-N 2 1 356.510 4.349 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000519540572 1102367657 /nfs/dbraw/zinc/36/76/57/1102367657.db2.gz LPIUDSLAYWCMMO-QZTJIDSGSA-N 2 1 365.521 4.011 20 0 FIADMP Cc1cc2ncc([C@H](C)[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)c(C)n2n1 ZINC000091735152 1102410686 /nfs/dbraw/zinc/41/06/86/1102410686.db2.gz SZVLRUNQJNIWGW-CVEARBPZSA-N 2 1 374.492 4.252 20 0 FIADMP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973088 1102524946 /nfs/dbraw/zinc/52/49/46/1102524946.db2.gz GGUIROJFWSUPFJ-UMQXSMKFSA-N 2 1 364.574 4.128 20 0 FIADMP Cc1nc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000664835414 1102649959 /nfs/dbraw/zinc/64/99/59/1102649959.db2.gz FLJNTKFBLAOQTL-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1nc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000664835414 1102649966 /nfs/dbraw/zinc/64/99/66/1102649966.db2.gz FLJNTKFBLAOQTL-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000550881720 1102652076 /nfs/dbraw/zinc/65/20/76/1102652076.db2.gz BFOHWTZCDGSBII-BLLLJJGKSA-N 2 1 373.766 4.310 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000537649018 1102688833 /nfs/dbraw/zinc/68/88/33/1102688833.db2.gz BHSOWANPNQXUCR-IBGZPJMESA-N 2 1 373.566 4.051 20 0 FIADMP C[C@@H](c1cnccn1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837038 1102697015 /nfs/dbraw/zinc/69/70/15/1102697015.db2.gz YYANQLCFTMVPCB-PGRDOPGGSA-N 2 1 364.537 4.160 20 0 FIADMP COc1ccccc1CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978121 1102728717 /nfs/dbraw/zinc/72/87/17/1102728717.db2.gz JKWQJWHBXKXJIB-SEJPIABJSA-N 2 1 356.554 4.259 20 0 FIADMP Brc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167978268 1102742185 /nfs/dbraw/zinc/74/21/85/1102742185.db2.gz NPNAGGCSSMSAFB-GOOCMWNKSA-N 2 1 369.372 4.048 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551007858 1102759691 /nfs/dbraw/zinc/75/96/91/1102759691.db2.gz SDUIRPOQLQZBRG-LEWJYISDSA-N 2 1 368.521 4.062 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551007858 1102759701 /nfs/dbraw/zinc/75/97/01/1102759701.db2.gz SDUIRPOQLQZBRG-LEWJYISDSA-N 2 1 368.521 4.062 20 0 FIADMP c1cc(-c2ncc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000537694687 1102886301 /nfs/dbraw/zinc/88/63/01/1102886301.db2.gz NSLNPGJTGPUXHH-KBXCAEBGSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000537694687 1102886302 /nfs/dbraw/zinc/88/63/02/1102886302.db2.gz NSLNPGJTGPUXHH-KBXCAEBGSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cs1 ZINC000537694687 1102886305 /nfs/dbraw/zinc/88/63/05/1102886305.db2.gz NSLNPGJTGPUXHH-KBXCAEBGSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)s2)cs1 ZINC000537694687 1102886307 /nfs/dbraw/zinc/88/63/07/1102886307.db2.gz NSLNPGJTGPUXHH-KBXCAEBGSA-N 2 1 359.564 4.320 20 0 FIADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269989 1102895106 /nfs/dbraw/zinc/89/51/06/1102895106.db2.gz DSIXPJMPYNOAPN-AKIFATBCSA-N 2 1 370.581 4.331 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000551175545 1102948935 /nfs/dbraw/zinc/94/89/35/1102948935.db2.gz MMVBRADKWKBQMX-BJESRGMDSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000551175545 1102948938 /nfs/dbraw/zinc/94/89/38/1102948938.db2.gz MMVBRADKWKBQMX-BJESRGMDSA-N 2 1 350.506 4.332 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551196416 1102974491 /nfs/dbraw/zinc/97/44/91/1102974491.db2.gz AIJRLKRRIFOTDT-WTIAFYNJSA-N 2 1 352.522 4.407 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551196416 1102974498 /nfs/dbraw/zinc/97/44/98/1102974498.db2.gz AIJRLKRRIFOTDT-WTIAFYNJSA-N 2 1 352.522 4.407 20 0 FIADMP Cc1cccc2nc(CN3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cn21 ZINC000476976269 1102988581 /nfs/dbraw/zinc/98/85/81/1102988581.db2.gz VXSYGPANLBRYOH-SFHVURJKSA-N 2 1 354.542 4.119 20 0 FIADMP Cc1cccc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)cn21 ZINC000476976269 1102988588 /nfs/dbraw/zinc/98/85/88/1102988588.db2.gz VXSYGPANLBRYOH-SFHVURJKSA-N 2 1 354.542 4.119 20 0 FIADMP Cc1cccc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cn21 ZINC000476976269 1102988593 /nfs/dbraw/zinc/98/85/93/1102988593.db2.gz VXSYGPANLBRYOH-SFHVURJKSA-N 2 1 354.542 4.119 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000459373707 1102998901 /nfs/dbraw/zinc/99/89/01/1102998901.db2.gz WGIGIDCEFMMRAH-GOSISDBHSA-N 2 1 350.506 4.245 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000459373707 1102998903 /nfs/dbraw/zinc/99/89/03/1102998903.db2.gz WGIGIDCEFMMRAH-GOSISDBHSA-N 2 1 350.506 4.245 20 0 FIADMP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476985650 1103003692 /nfs/dbraw/zinc/00/36/92/1103003692.db2.gz OJTFPMZTAADFNR-PMACEKPBSA-N 2 1 371.569 4.014 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@@H]1c1ccccc1 ZINC000551264153 1103020770 /nfs/dbraw/zinc/02/07/70/1103020770.db2.gz IEDSLTPKQNKORE-RBUKOAKNSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@@H]1c1ccccc1 ZINC000551264153 1103020788 /nfs/dbraw/zinc/02/07/88/1103020788.db2.gz IEDSLTPKQNKORE-RBUKOAKNSA-N 2 1 363.427 4.068 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000551273811 1103034737 /nfs/dbraw/zinc/03/47/37/1103034737.db2.gz BVEUQSZZOOUEKT-INIZCTEOSA-N 2 1 356.489 4.069 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2O1 ZINC000729679683 1103042339 /nfs/dbraw/zinc/04/23/39/1103042339.db2.gz OGLYSBWRZSXPRJ-OAQYLSRUSA-N 2 1 364.533 4.054 20 0 FIADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1O ZINC000459378913 1103045265 /nfs/dbraw/zinc/04/52/65/1103045265.db2.gz RTVURDLTDYZWBW-GOSISDBHSA-N 2 1 368.521 4.455 20 0 FIADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](O)Cc1ccccc1 ZINC000551316879 1103073326 /nfs/dbraw/zinc/07/33/26/1103073326.db2.gz NVQNQYWHZUNPAX-DLQXEOFGSA-N 2 1 366.549 4.011 20 0 FIADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459382340 1103098498 /nfs/dbraw/zinc/09/84/98/1103098498.db2.gz DHSDRHOKKYZLMP-CEYISNLHSA-N 2 1 362.517 4.495 20 0 FIADMP c1ccc(COCc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000459382776 1103107768 /nfs/dbraw/zinc/10/77/68/1103107768.db2.gz XAUSDOCWGWNZLG-UHFFFAOYSA-N 2 1 350.506 4.120 20 0 FIADMP c1c(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459383715 1103107901 /nfs/dbraw/zinc/10/79/01/1103107901.db2.gz VAYYZHRJPNGIBN-UHFFFAOYSA-N 2 1 367.541 4.026 20 0 FIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000507324622 1103302883 /nfs/dbraw/zinc/30/28/83/1103302883.db2.gz IWQBFTACRLSLFO-UHFFFAOYSA-N 2 1 365.521 4.244 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000507324622 1103302900 /nfs/dbraw/zinc/30/29/00/1103302900.db2.gz IWQBFTACRLSLFO-UHFFFAOYSA-N 2 1 365.521 4.244 20 0 FIADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245652436 1103310089 /nfs/dbraw/zinc/31/00/89/1103310089.db2.gz CSYDHKLPYCEYCN-KQLYMOGASA-N 2 1 353.510 4.008 20 0 FIADMP COc1ncc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000551539828 1103318371 /nfs/dbraw/zinc/31/83/71/1103318371.db2.gz HBBSMKMJCUFRLK-OWCLPIDISA-N 2 1 353.938 4.152 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000666995749 1103337065 /nfs/dbraw/zinc/33/70/65/1103337065.db2.gz YUERCAAPCQVNJO-CQSZACIVSA-N 2 1 366.349 4.489 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000507719582 1103634945 /nfs/dbraw/zinc/63/49/45/1103634945.db2.gz BIBIFXYQWTYQLO-UHFFFAOYSA-N 2 1 374.960 4.332 20 0 FIADMP Cc1ccsc1[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000519780541 1103865172 /nfs/dbraw/zinc/86/51/72/1103865172.db2.gz XTGHCXZOPGZLER-SOAGJPPSSA-N 2 1 358.551 4.123 20 0 FIADMP CC[N@H+](CCC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1)CC1CC1 ZINC000537845326 1103967152 /nfs/dbraw/zinc/96/71/52/1103967152.db2.gz CYJJIQSTAHCZMU-UHFFFAOYSA-N 2 1 367.537 4.185 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1)CC1CC1 ZINC000537845326 1103967162 /nfs/dbraw/zinc/96/71/62/1103967162.db2.gz CYJJIQSTAHCZMU-UHFFFAOYSA-N 2 1 367.537 4.185 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440830515 1103977842 /nfs/dbraw/zinc/97/78/42/1103977842.db2.gz LEGVMFJPGJGACO-AWEZNQCLSA-N 2 1 366.431 4.093 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440830515 1103977848 /nfs/dbraw/zinc/97/78/48/1103977848.db2.gz LEGVMFJPGJGACO-AWEZNQCLSA-N 2 1 366.431 4.093 20 0 FIADMP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2cccs2)n1 ZINC000538296452 1104115010 /nfs/dbraw/zinc/11/50/10/1104115010.db2.gz MWDHXAXJGAUPLG-GOSISDBHSA-N 2 1 372.582 4.237 20 0 FIADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2cccs2)n1 ZINC000538296452 1104115016 /nfs/dbraw/zinc/11/50/16/1104115016.db2.gz MWDHXAXJGAUPLG-GOSISDBHSA-N 2 1 372.582 4.237 20 0 FIADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073340 1104116319 /nfs/dbraw/zinc/11/63/19/1104116319.db2.gz XETKXQJJCXJKGX-UONOGXRCSA-N 2 1 361.477 4.216 20 0 FIADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073340 1104116323 /nfs/dbraw/zinc/11/63/23/1104116323.db2.gz XETKXQJJCXJKGX-UONOGXRCSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073340 1104116331 /nfs/dbraw/zinc/11/63/31/1104116331.db2.gz XETKXQJJCXJKGX-UONOGXRCSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073340 1104116338 /nfs/dbraw/zinc/11/63/38/1104116338.db2.gz XETKXQJJCXJKGX-UONOGXRCSA-N 2 1 361.477 4.216 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000520391827 1104321333 /nfs/dbraw/zinc/32/13/33/1104321333.db2.gz SLPPMXFEFROAIU-QFIPXVFZSA-N 2 1 352.522 4.130 20 0 FIADMP c1cc(SC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccn1 ZINC001167994832 1104484865 /nfs/dbraw/zinc/48/48/65/1104484865.db2.gz QOBDVFNKEHHYRK-DFNIBXOVSA-N 2 1 357.567 4.044 20 0 FIADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001167994646 1104497030 /nfs/dbraw/zinc/49/70/30/1104497030.db2.gz IQIPLOBACVEFTO-AYDDWDILSA-N 2 1 368.565 4.397 20 0 FIADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001167994646 1104497035 /nfs/dbraw/zinc/49/70/35/1104497035.db2.gz IQIPLOBACVEFTO-AYDDWDILSA-N 2 1 368.565 4.397 20 0 FIADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001167994646 1104497037 /nfs/dbraw/zinc/49/70/37/1104497037.db2.gz IQIPLOBACVEFTO-AYDDWDILSA-N 2 1 368.565 4.397 20 0 FIADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507772680 1104959704 /nfs/dbraw/zinc/95/97/04/1104959704.db2.gz HPUMJZGQGSOTLP-GOSISDBHSA-N 2 1 370.512 4.017 20 0 FIADMP Fc1ccc2c(c1)c1c(n2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[NH2+]CC1 ZINC001168002174 1104970648 /nfs/dbraw/zinc/97/06/48/1104970648.db2.gz PBJNIKALDXTTMA-JWTNVVGKSA-N 2 1 353.485 4.004 20 0 FIADMP CC[C@@H]1C[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000507792727 1105081173 /nfs/dbraw/zinc/08/11/73/1105081173.db2.gz GAXXTPCLVXJCIS-FCHUYYIVSA-N 2 1 356.554 4.180 20 0 FIADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152396364 1105082567 /nfs/dbraw/zinc/08/25/67/1105082567.db2.gz CIESYYXQQVODRH-ZFWWWQNUSA-N 2 1 359.514 4.393 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC001168007865 1105145798 /nfs/dbraw/zinc/14/57/98/1105145798.db2.gz VFBSBYKOYFILKT-ROUUACIJSA-N 2 1 368.521 4.235 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N(C)C)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008141 1105168205 /nfs/dbraw/zinc/16/82/05/1105168205.db2.gz CVOUUWYVUFHJQD-JHDGKUDLSA-N 2 1 365.565 4.326 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000067450052 1105173090 /nfs/dbraw/zinc/17/30/90/1105173090.db2.gz YGTPWUZTRDLMRL-UHFFFAOYSA-N 2 1 362.521 4.311 20 0 FIADMP Cc1cccc2ncc(C[NH2+]C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)n21 ZINC001168008293 1105178950 /nfs/dbraw/zinc/17/89/50/1105178950.db2.gz XCCSUWASVXAKNT-RTBURBONSA-N 2 1 362.521 4.174 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390877690 1106775345 /nfs/dbraw/zinc/77/53/45/1106775345.db2.gz UOKABMOOCMGKKN-QFIPXVFZSA-N 2 1 352.522 4.128 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390877690 1106775361 /nfs/dbraw/zinc/77/53/61/1106775361.db2.gz UOKABMOOCMGKKN-QFIPXVFZSA-N 2 1 352.522 4.128 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000390964808 1106781896 /nfs/dbraw/zinc/78/18/96/1106781896.db2.gz OLYFJHGBHNKGCM-QHCPKHFHSA-N 2 1 364.533 4.054 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000390964808 1106781910 /nfs/dbraw/zinc/78/19/10/1106781910.db2.gz OLYFJHGBHNKGCM-QHCPKHFHSA-N 2 1 364.533 4.054 20 0 FIADMP Clc1ccc2[nH+]ccc(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000301255056 1106972890 /nfs/dbraw/zinc/97/28/90/1106972890.db2.gz FEEREKHAZODZMQ-UHFFFAOYSA-N 2 1 352.869 4.360 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000530358434 1106984254 /nfs/dbraw/zinc/98/42/54/1106984254.db2.gz CMCGPAVKNTURFT-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000530358434 1106984255 /nfs/dbraw/zinc/98/42/55/1106984255.db2.gz CMCGPAVKNTURFT-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358434 1106984257 /nfs/dbraw/zinc/98/42/57/1106984257.db2.gz CMCGPAVKNTURFT-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358434 1106984263 /nfs/dbraw/zinc/98/42/63/1106984263.db2.gz CMCGPAVKNTURFT-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP Cc1ccc2[nH+]ccc(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2c1 ZINC000302176993 1107328328 /nfs/dbraw/zinc/32/83/28/1107328328.db2.gz XNXDQRORGGCJIY-UHFFFAOYSA-N 2 1 374.488 4.058 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000531240636 1107686578 /nfs/dbraw/zinc/68/65/78/1107686578.db2.gz OXTPIMCSRPBBLS-FUHWJXTLSA-N 2 1 358.555 4.195 20 0 FIADMP Cc1ccc(SC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655720921 1107858829 /nfs/dbraw/zinc/85/88/29/1107858829.db2.gz JEFBFDVFTLDHQD-HXUWFJFHSA-N 2 1 374.594 4.243 20 0 FIADMP CCc1nc(C)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000428366701 1107898913 /nfs/dbraw/zinc/89/89/13/1107898913.db2.gz YWLBLOUMVNMRIY-PMACEKPBSA-N 2 1 353.510 4.032 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508119 1107904876 /nfs/dbraw/zinc/90/48/76/1107904876.db2.gz JQPIQWRNBCELHW-QWHCGFSZSA-N 2 1 363.299 4.330 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508119 1107904882 /nfs/dbraw/zinc/90/48/82/1107904882.db2.gz JQPIQWRNBCELHW-QWHCGFSZSA-N 2 1 363.299 4.330 20 0 FIADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000531677334 1108064193 /nfs/dbraw/zinc/06/41/93/1108064193.db2.gz PVDPEYQMUTUHLZ-KBPBESRZSA-N 2 1 369.987 4.102 20 0 FIADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000531676957 1108065865 /nfs/dbraw/zinc/06/58/65/1108065865.db2.gz XEALASLKEBXQTO-YJBOKZPZSA-N 2 1 363.958 4.041 20 0 FIADMP Cn1nccc1-c1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508504552 1108066147 /nfs/dbraw/zinc/06/61/47/1108066147.db2.gz NASUXRGCXLCIAG-OAQYLSRUSA-N 2 1 374.532 4.041 20 0 FIADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508504552 1108066163 /nfs/dbraw/zinc/06/61/63/1108066163.db2.gz NASUXRGCXLCIAG-OAQYLSRUSA-N 2 1 374.532 4.041 20 0 FIADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508504552 1108066180 /nfs/dbraw/zinc/06/61/80/1108066180.db2.gz NASUXRGCXLCIAG-OAQYLSRUSA-N 2 1 374.532 4.041 20 0 FIADMP CC[N@H+]1CC[C@@H](NCc2ccc(Oc3cc(C)ccc3C)nc2)[C@H](C)C1 ZINC000531683159 1108069216 /nfs/dbraw/zinc/06/92/16/1108069216.db2.gz XHNADAZFYWOTJY-UYAOXDASSA-N 2 1 353.510 4.311 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@H](C)C1 ZINC000531683159 1108069228 /nfs/dbraw/zinc/06/92/28/1108069228.db2.gz XHNADAZFYWOTJY-UYAOXDASSA-N 2 1 353.510 4.311 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000444679793 1108081408 /nfs/dbraw/zinc/08/14/08/1108081408.db2.gz CIZSLLITWHMVTK-GOSISDBHSA-N 2 1 369.578 4.015 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)c1 ZINC000453111332 1108179627 /nfs/dbraw/zinc/17/96/27/1108179627.db2.gz RIULGMQVWIWNFK-GOSISDBHSA-N 2 1 362.521 4.390 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)c1 ZINC000453111332 1108179630 /nfs/dbraw/zinc/17/96/30/1108179630.db2.gz RIULGMQVWIWNFK-GOSISDBHSA-N 2 1 362.521 4.390 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH+](C)C(C)C)CC2)cc1)C(C)C ZINC000523422323 1108208969 /nfs/dbraw/zinc/20/89/69/1108208969.db2.gz NWCALEUTAUDOMX-UHFFFAOYSA-N 2 1 373.585 4.109 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1)C(C)C ZINC000523422323 1108208981 /nfs/dbraw/zinc/20/89/81/1108208981.db2.gz NWCALEUTAUDOMX-UHFFFAOYSA-N 2 1 373.585 4.109 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1)C(C)C ZINC000523422323 1108208996 /nfs/dbraw/zinc/20/89/96/1108208996.db2.gz NWCALEUTAUDOMX-UHFFFAOYSA-N 2 1 373.585 4.109 20 0 FIADMP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000523440565 1108225844 /nfs/dbraw/zinc/22/58/44/1108225844.db2.gz PDYHRSZWKDEDKU-MRUHUIDDSA-N 2 1 366.496 4.237 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2sccc21 ZINC000453197025 1108267747 /nfs/dbraw/zinc/26/77/47/1108267747.db2.gz MSFCCULGYPBWHB-LKUPVBHCSA-N 2 1 370.562 4.433 20 0 FIADMP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncn1 ZINC000453231312 1108304036 /nfs/dbraw/zinc/30/40/36/1108304036.db2.gz XTVHCCYALQEPPH-VLCCKYJDSA-N 2 1 370.928 4.395 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000453321989 1108414039 /nfs/dbraw/zinc/41/40/39/1108414039.db2.gz QCOWUSCDQGQZFF-HWELCPFYSA-N 2 1 356.554 4.369 20 0 FIADMP COc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(F)cc2)cc1 ZINC000453355179 1108457066 /nfs/dbraw/zinc/45/70/66/1108457066.db2.gz OUIWQCJFRADBIK-RKKYOWQMSA-N 2 1 354.469 4.139 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000531970628 1108478400 /nfs/dbraw/zinc/47/84/00/1108478400.db2.gz YSALLGHHCLDMPB-QGZVFWFLSA-N 2 1 358.476 4.050 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000531980901 1108496139 /nfs/dbraw/zinc/49/61/39/1108496139.db2.gz FZBHREFOYWYALR-HXUWFJFHSA-N 2 1 356.510 4.347 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000531990046 1108518526 /nfs/dbraw/zinc/51/85/26/1108518526.db2.gz NERUZNKGLFMYDT-GOSISDBHSA-N 2 1 356.432 4.283 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1)C1CC1 ZINC000453420452 1108545222 /nfs/dbraw/zinc/54/52/22/1108545222.db2.gz ZOHMIRVJPJLFSN-INIZCTEOSA-N 2 1 357.361 4.426 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000532192542 1108702141 /nfs/dbraw/zinc/70/21/41/1108702141.db2.gz UXSKRKNOLPITTE-IBGZPJMESA-N 3 1 354.542 4.343 20 0 FIADMP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CCCC2)cc1C ZINC000532249247 1108727817 /nfs/dbraw/zinc/72/78/17/1108727817.db2.gz ROTPBWMSZQUJSY-SVFBPWRDSA-N 2 1 371.569 4.121 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000459405792 1109014100 /nfs/dbraw/zinc/01/41/00/1109014100.db2.gz UHANVYHVTAYCRJ-MRXNPFEDSA-N 2 1 357.807 4.376 20 0 FIADMP CC(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428451633 1109313623 /nfs/dbraw/zinc/31/36/23/1109313623.db2.gz DBPXCDOFHYGIPL-OEMFJLHTSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428451633 1109313626 /nfs/dbraw/zinc/31/36/26/1109313626.db2.gz DBPXCDOFHYGIPL-OEMFJLHTSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428451633 1109313631 /nfs/dbraw/zinc/31/36/31/1109313631.db2.gz DBPXCDOFHYGIPL-OEMFJLHTSA-N 3 1 369.597 4.140 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749917 1109328600 /nfs/dbraw/zinc/32/86/00/1109328600.db2.gz CYJLHOQYDVBQMX-SJCJKPOMSA-N 2 1 371.750 4.485 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749917 1109328604 /nfs/dbraw/zinc/32/86/04/1109328604.db2.gz CYJLHOQYDVBQMX-SJCJKPOMSA-N 2 1 371.750 4.485 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@@H+]1C ZINC000525708910 1109488135 /nfs/dbraw/zinc/48/81/35/1109488135.db2.gz SFSROETWGKZTBH-NVXWUHKLSA-N 2 1 371.912 4.165 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@H+]1C ZINC000525708910 1109488140 /nfs/dbraw/zinc/48/81/40/1109488140.db2.gz SFSROETWGKZTBH-NVXWUHKLSA-N 2 1 371.912 4.165 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000447532983 1109569033 /nfs/dbraw/zinc/56/90/33/1109569033.db2.gz WEELYXBKZVNACW-IRXDYDNUSA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000447532983 1109569035 /nfs/dbraw/zinc/56/90/35/1109569035.db2.gz WEELYXBKZVNACW-IRXDYDNUSA-N 2 1 370.493 4.291 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000447734050 1109635242 /nfs/dbraw/zinc/63/52/42/1109635242.db2.gz SIDJCKIRHGUYAZ-FOIQADDNSA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000447734050 1109635243 /nfs/dbraw/zinc/63/52/43/1109635243.db2.gz SIDJCKIRHGUYAZ-FOIQADDNSA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000447734050 1109635244 /nfs/dbraw/zinc/63/52/44/1109635244.db2.gz SIDJCKIRHGUYAZ-FOIQADDNSA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000447734050 1109635245 /nfs/dbraw/zinc/63/52/45/1109635245.db2.gz SIDJCKIRHGUYAZ-FOIQADDNSA-N 2 1 350.909 4.360 20 0 FIADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000527214654 1109714781 /nfs/dbraw/zinc/71/47/81/1109714781.db2.gz YRJLSXYRUXACJQ-UHFFFAOYSA-N 2 1 350.934 4.483 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097866 1109723619 /nfs/dbraw/zinc/72/36/19/1109723619.db2.gz RCPLERQPWSQHOT-QUCCMNQESA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097866 1109723622 /nfs/dbraw/zinc/72/36/22/1109723622.db2.gz RCPLERQPWSQHOT-QUCCMNQESA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097866 1109723624 /nfs/dbraw/zinc/72/36/24/1109723624.db2.gz RCPLERQPWSQHOT-QUCCMNQESA-N 2 1 362.521 4.306 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544420492 1109750039 /nfs/dbraw/zinc/75/00/39/1109750039.db2.gz HACKYCJMUAAHLB-SLFFLAALSA-N 2 1 371.569 4.181 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544420492 1109750043 /nfs/dbraw/zinc/75/00/43/1109750043.db2.gz HACKYCJMUAAHLB-SLFFLAALSA-N 2 1 371.569 4.181 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4cc(F)c(Cl)cc43)CC2)nc(C)[nH+]1 ZINC000527870835 1109844959 /nfs/dbraw/zinc/84/49/59/1109844959.db2.gz OQYDTOKZCCYAKI-IBGZPJMESA-N 2 1 374.891 4.132 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccnn3C3CCCC3)C2)c1 ZINC000449106390 1109977082 /nfs/dbraw/zinc/97/70/82/1109977082.db2.gz LRLPMUGUEGLVHN-KRWDZBQOSA-N 2 1 358.555 4.062 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccnn3C3CCCC3)C2)c1 ZINC000449106390 1109977083 /nfs/dbraw/zinc/97/70/83/1109977083.db2.gz LRLPMUGUEGLVHN-KRWDZBQOSA-N 2 1 358.555 4.062 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1c(C)nn(C)c1C ZINC000449168483 1109990751 /nfs/dbraw/zinc/99/07/51/1109990751.db2.gz DOELHSWQIMNOAI-JTSKRJEESA-N 2 1 368.569 4.173 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455989 1109995009 /nfs/dbraw/zinc/99/50/09/1109995009.db2.gz KWKCHVMSGWPGBY-QAPCUYQASA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455989 1109995012 /nfs/dbraw/zinc/99/50/12/1109995012.db2.gz KWKCHVMSGWPGBY-QAPCUYQASA-N 2 1 363.427 4.101 20 0 FIADMP CC1(C)C[N@@H+](Cc2cncs2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413884 1110055852 /nfs/dbraw/zinc/05/58/52/1110055852.db2.gz KNFRCVCXQJYZOR-HXUWFJFHSA-N 2 1 355.551 4.266 20 0 FIADMP CC1(C)C[N@H+](Cc2cscn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416690 1110056687 /nfs/dbraw/zinc/05/66/87/1110056687.db2.gz VCAULMMSVXLXHB-HXUWFJFHSA-N 2 1 355.551 4.266 20 0 FIADMP CC1(C)C[N@@H+](Cc2cscn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416690 1110056697 /nfs/dbraw/zinc/05/66/97/1110056697.db2.gz VCAULMMSVXLXHB-HXUWFJFHSA-N 2 1 355.551 4.266 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449402595 1110058319 /nfs/dbraw/zinc/05/83/19/1110058319.db2.gz RUEYPHOOSNMRFA-WBVHZDCISA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449402595 1110058321 /nfs/dbraw/zinc/05/83/21/1110058321.db2.gz RUEYPHOOSNMRFA-WBVHZDCISA-N 2 1 363.427 4.101 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000449555853 1110109029 /nfs/dbraw/zinc/10/90/29/1110109029.db2.gz JPFOHWNAMVUOLU-ALOPSCKCSA-N 2 1 366.933 4.242 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000449555853 1110109033 /nfs/dbraw/zinc/10/90/33/1110109033.db2.gz JPFOHWNAMVUOLU-ALOPSCKCSA-N 2 1 366.933 4.242 20 0 FIADMP COc1ccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)cc1 ZINC000449560013 1110110403 /nfs/dbraw/zinc/11/04/03/1110110403.db2.gz FBGAGZXXVCVCAL-YQQQUEKLSA-N 2 1 352.478 4.202 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000449619379 1110127374 /nfs/dbraw/zinc/12/73/74/1110127374.db2.gz PGVLMAIIYGCTMK-AWDZXFJFSA-N 2 1 364.533 4.441 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Oc1cccnc1 ZINC000538751399 1111281819 /nfs/dbraw/zinc/28/18/19/1111281819.db2.gz KBLRMXVQEREGQV-NRFANRHFSA-N 2 1 365.521 4.490 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Oc1cccnc1 ZINC000538751399 1111281823 /nfs/dbraw/zinc/28/18/23/1111281823.db2.gz KBLRMXVQEREGQV-NRFANRHFSA-N 2 1 365.521 4.490 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)CC1CC1 ZINC000538948638 1111356033 /nfs/dbraw/zinc/35/60/33/1111356033.db2.gz IVQLVHXBCUUVME-UHFFFAOYSA-N 2 1 359.558 4.041 20 0 FIADMP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000539090047 1111426723 /nfs/dbraw/zinc/42/67/23/1111426723.db2.gz YGHGQWVMJZZNRJ-VFNWGFHPSA-N 2 1 353.441 4.358 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000462028646 1111473159 /nfs/dbraw/zinc/47/31/59/1111473159.db2.gz QNAPAWKUCZNKFW-GOSISDBHSA-N 2 1 371.550 4.270 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OCc1ccccc1 ZINC000539252976 1111487123 /nfs/dbraw/zinc/48/71/23/1111487123.db2.gz RWNXNAQFFIPDQY-QGZVFWFLSA-N 2 1 365.477 4.130 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462107779 1111495556 /nfs/dbraw/zinc/49/55/56/1111495556.db2.gz IFMCEBOCAZDVTO-ZTFGCOKTSA-N 2 1 353.348 4.233 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462107779 1111495557 /nfs/dbraw/zinc/49/55/57/1111495557.db2.gz IFMCEBOCAZDVTO-ZTFGCOKTSA-N 2 1 353.348 4.233 20 0 FIADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000462123518 1111505802 /nfs/dbraw/zinc/50/58/02/1111505802.db2.gz QQRQISMXXLZUNL-PMACEKPBSA-N 2 1 366.549 4.484 20 0 FIADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000462124896 1111506868 /nfs/dbraw/zinc/50/68/68/1111506868.db2.gz XITOYBSXUMIWHK-UHFFFAOYSA-N 2 1 370.368 4.032 20 0 FIADMP Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000552056186 1111559822 /nfs/dbraw/zinc/55/98/22/1111559822.db2.gz VWGDNNFWMGWYJE-GMKZXUHWSA-N 2 1 363.549 4.213 20 0 FIADMP Cc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2c1 ZINC000552060360 1111561953 /nfs/dbraw/zinc/56/19/53/1111561953.db2.gz PSGJAXPCIBJRCB-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000552087531 1111569608 /nfs/dbraw/zinc/56/96/08/1111569608.db2.gz KNJGIVWMHCWKAF-GMKZXUHWSA-N 2 1 363.549 4.213 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156932 1111595667 /nfs/dbraw/zinc/59/56/67/1111595667.db2.gz CJWDRZLQARPWLJ-FGZHOGPDSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156932 1111595670 /nfs/dbraw/zinc/59/56/70/1111595670.db2.gz CJWDRZLQARPWLJ-FGZHOGPDSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156932 1111595676 /nfs/dbraw/zinc/59/56/76/1111595676.db2.gz CJWDRZLQARPWLJ-FGZHOGPDSA-N 2 1 354.538 4.076 20 0 FIADMP c1c[nH]c([C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248548 1111628174 /nfs/dbraw/zinc/62/81/74/1111628174.db2.gz KXAAUUQDPLSHSN-IRLDBZIGSA-N 2 1 366.553 4.185 20 0 FIADMP c1c[nH]c([C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248548 1111628178 /nfs/dbraw/zinc/62/81/78/1111628178.db2.gz KXAAUUQDPLSHSN-IRLDBZIGSA-N 2 1 366.553 4.185 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000552246221 1111636859 /nfs/dbraw/zinc/63/68/59/1111636859.db2.gz NDWZYJMZYUOLSB-UXHICEINSA-N 2 1 364.961 4.457 20 0 FIADMP CCC[N@@H+](C)[C@@H](CNC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000552325373 1111670149 /nfs/dbraw/zinc/67/01/49/1111670149.db2.gz UDAWHMOMADYRRQ-FQEVSTJZSA-N 2 1 351.966 4.185 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000552318319 1111676280 /nfs/dbraw/zinc/67/62/80/1111676280.db2.gz WZDUZUWSZCHQGS-RYGJVYDSSA-N 2 1 350.934 4.128 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000552588379 1111754223 /nfs/dbraw/zinc/75/42/23/1111754223.db2.gz XEEQKJDUORHAAR-OTWHNJEPSA-N 2 1 371.352 4.412 20 0 FIADMP Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000097287795 1111935761 /nfs/dbraw/zinc/93/57/61/1111935761.db2.gz HWRCDAXXTNGMMA-GOSISDBHSA-N 2 1 370.924 4.493 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479074950 1111944591 /nfs/dbraw/zinc/94/45/91/1111944591.db2.gz HSTHTNLCSMYBLC-UGSOOPFHSA-N 2 1 362.315 4.257 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479198902 1111964266 /nfs/dbraw/zinc/96/42/66/1111964266.db2.gz YFQVGURSOYKOPY-AOMKIAJQSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479198902 1111964269 /nfs/dbraw/zinc/96/42/69/1111964269.db2.gz YFQVGURSOYKOPY-AOMKIAJQSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479199369 1111964358 /nfs/dbraw/zinc/96/43/58/1111964358.db2.gz YFQVGURSOYKOPY-OPAMFIHVSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479199369 1111964360 /nfs/dbraw/zinc/96/43/60/1111964360.db2.gz YFQVGURSOYKOPY-OPAMFIHVSA-N 2 1 370.924 4.338 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465791 1112034341 /nfs/dbraw/zinc/03/43/41/1112034341.db2.gz PXPNPRJMPSYHFX-WIYYLYMNSA-N 2 1 354.469 4.151 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465791 1112034345 /nfs/dbraw/zinc/03/43/45/1112034345.db2.gz PXPNPRJMPSYHFX-WIYYLYMNSA-N 2 1 354.469 4.151 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000479536167 1112061210 /nfs/dbraw/zinc/06/12/10/1112061210.db2.gz CHSSHRZOPZIDOS-MDMXATFFSA-N 2 1 372.557 4.228 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000479536167 1112061216 /nfs/dbraw/zinc/06/12/16/1112061216.db2.gz CHSSHRZOPZIDOS-MDMXATFFSA-N 2 1 372.557 4.228 20 0 FIADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCc2ccccn2)cc1 ZINC000479793062 1112144561 /nfs/dbraw/zinc/14/45/61/1112144561.db2.gz OYYYTWCLACBRAO-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000479875398 1112173890 /nfs/dbraw/zinc/17/38/90/1112173890.db2.gz QHTBCKWFIUQCRM-GJYPPUQNSA-N 2 1 372.475 4.493 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1OC(F)F ZINC000479920147 1112199348 /nfs/dbraw/zinc/19/93/48/1112199348.db2.gz ABTORPBBBRYAHR-GJZGRUSLSA-N 2 1 356.457 4.212 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1OC(F)F ZINC000479920147 1112199350 /nfs/dbraw/zinc/19/93/50/1112199350.db2.gz ABTORPBBBRYAHR-GJZGRUSLSA-N 2 1 356.457 4.212 20 0 FIADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000480259667 1112348071 /nfs/dbraw/zinc/34/80/71/1112348071.db2.gz IFNCODHMNMIQSU-HOTGVXAUSA-N 2 1 358.448 4.118 20 0 FIADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000480259667 1112348075 /nfs/dbraw/zinc/34/80/75/1112348075.db2.gz IFNCODHMNMIQSU-HOTGVXAUSA-N 2 1 358.448 4.118 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480354176 1112397288 /nfs/dbraw/zinc/39/72/88/1112397288.db2.gz HDEUXGDRNMEFHL-NSHDSACASA-N 2 1 365.768 4.374 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480354176 1112397296 /nfs/dbraw/zinc/39/72/96/1112397296.db2.gz HDEUXGDRNMEFHL-NSHDSACASA-N 2 1 365.768 4.374 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480354174 1112397347 /nfs/dbraw/zinc/39/73/47/1112397347.db2.gz HDEUXGDRNMEFHL-LLVKDONJSA-N 2 1 365.768 4.374 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480354174 1112397353 /nfs/dbraw/zinc/39/73/53/1112397353.db2.gz HDEUXGDRNMEFHL-LLVKDONJSA-N 2 1 365.768 4.374 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000554727669 1112457064 /nfs/dbraw/zinc/45/70/64/1112457064.db2.gz RGUGYQSFHJXLJN-UHFFFAOYSA-N 2 1 353.510 4.232 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000480608967 1112499238 /nfs/dbraw/zinc/49/92/38/1112499238.db2.gz IJQLPHNNTZOJAP-FUPPJEDESA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000480608967 1112499240 /nfs/dbraw/zinc/49/92/40/1112499240.db2.gz IJQLPHNNTZOJAP-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000480608967 1112499242 /nfs/dbraw/zinc/49/92/42/1112499242.db2.gz IJQLPHNNTZOJAP-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000480608967 1112499244 /nfs/dbraw/zinc/49/92/44/1112499244.db2.gz IJQLPHNNTZOJAP-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000480608967 1112499245 /nfs/dbraw/zinc/49/92/45/1112499245.db2.gz IJQLPHNNTZOJAP-FUPPJEDESA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480615030 1112502354 /nfs/dbraw/zinc/50/23/54/1112502354.db2.gz SWDVXKBRPRGKQP-DLBZAZTESA-N 2 1 357.542 4.079 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000480630549 1112510044 /nfs/dbraw/zinc/51/00/44/1112510044.db2.gz JZGFTFADSQPVNL-HOTGVXAUSA-N 2 1 352.494 4.006 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000554857926 1112534128 /nfs/dbraw/zinc/53/41/28/1112534128.db2.gz DGVVRBCTFSRUBB-GOSISDBHSA-N 2 1 371.488 4.276 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000480697010 1112558931 /nfs/dbraw/zinc/55/89/31/1112558931.db2.gz KCYDSKSGQRGTOK-ZYSHUDEJSA-N 2 1 355.551 4.320 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480697010 1112558933 /nfs/dbraw/zinc/55/89/33/1112558933.db2.gz KCYDSKSGQRGTOK-ZYSHUDEJSA-N 2 1 355.551 4.320 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc(C)sc3C)cc2)CC1 ZINC000480735476 1112570023 /nfs/dbraw/zinc/57/00/23/1112570023.db2.gz GEDABCMMYOQMJS-SFHVURJKSA-N 2 1 371.594 4.353 20 0 FIADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000480773860 1112598478 /nfs/dbraw/zinc/59/84/78/1112598478.db2.gz UTURAIFXLMRINR-INIZCTEOSA-N 2 1 361.555 4.046 20 0 FIADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000480773860 1112598479 /nfs/dbraw/zinc/59/84/79/1112598479.db2.gz UTURAIFXLMRINR-INIZCTEOSA-N 2 1 361.555 4.046 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000555418320 1112831346 /nfs/dbraw/zinc/83/13/46/1112831346.db2.gz JHNALEHCFVDKQN-KRWDZBQOSA-N 2 1 362.315 4.127 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000481303882 1112878331 /nfs/dbraw/zinc/87/83/31/1112878331.db2.gz HMWDLGVRMKURLA-QFIPXVFZSA-N 2 1 350.506 4.245 20 0 FIADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000481325652 1112900931 /nfs/dbraw/zinc/90/09/31/1112900931.db2.gz WEZFBHNSCIUCSX-GOSISDBHSA-N 2 1 367.306 4.040 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC3CCCC3)cc2)CC1 ZINC000481410441 1112932095 /nfs/dbraw/zinc/93/20/95/1112932095.db2.gz CBSQDYMDKFNBTL-QGZVFWFLSA-N 2 1 362.583 4.483 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539093 1112973082 /nfs/dbraw/zinc/97/30/82/1112973082.db2.gz XXZHKYKKUYAFAR-AOMKIAJQSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539093 1112973084 /nfs/dbraw/zinc/97/30/84/1112973084.db2.gz XXZHKYKKUYAFAR-AOMKIAJQSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539098 1112973240 /nfs/dbraw/zinc/97/32/40/1112973240.db2.gz XXZHKYKKUYAFAR-ZHRRBRCNSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539098 1112973243 /nfs/dbraw/zinc/97/32/43/1112973243.db2.gz XXZHKYKKUYAFAR-ZHRRBRCNSA-N 2 1 374.475 4.426 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542798 1112973664 /nfs/dbraw/zinc/97/36/64/1112973664.db2.gz DEDGWAJFFYCYLA-CYFREDJKSA-N 2 1 364.533 4.465 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542798 1112973665 /nfs/dbraw/zinc/97/36/65/1112973665.db2.gz DEDGWAJFFYCYLA-CYFREDJKSA-N 2 1 364.533 4.465 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000481557440 1112980886 /nfs/dbraw/zinc/98/08/86/1112980886.db2.gz AOMXJYIUFUWBQO-LJQANCHMSA-N 2 1 351.425 4.106 20 0 FIADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481571363 1112985764 /nfs/dbraw/zinc/98/57/64/1112985764.db2.gz VYXGZVZSMZONMC-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481571363 1112985766 /nfs/dbraw/zinc/98/57/66/1112985766.db2.gz VYXGZVZSMZONMC-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000481580538 1112988630 /nfs/dbraw/zinc/98/86/30/1112988630.db2.gz KFCAJUZYPCFRIG-MOPGFXCFSA-N 2 1 352.522 4.321 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000481580538 1112988632 /nfs/dbraw/zinc/98/86/32/1112988632.db2.gz KFCAJUZYPCFRIG-MOPGFXCFSA-N 2 1 352.522 4.321 20 0 FIADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c3cc(OC(F)(F)F)ccc31)CC2 ZINC000899878850 1113042918 /nfs/dbraw/zinc/04/29/18/1113042918.db2.gz YEVTWALYECAKFE-UHFFFAOYSA-N 2 1 365.399 4.198 20 0 FIADMP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000481724805 1113055227 /nfs/dbraw/zinc/05/52/27/1113055227.db2.gz HYDOTSXJEQLXQG-CQSZACIVSA-N 2 1 350.865 4.270 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943034 1113136156 /nfs/dbraw/zinc/13/61/56/1113136156.db2.gz DYASQBIGVUHUCK-CEMLEFRQSA-N 2 1 369.553 4.163 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851406 1113144607 /nfs/dbraw/zinc/14/46/07/1113144607.db2.gz GQSJXLIVJHLZKP-HSZRJFAPSA-N 3 1 363.549 4.035 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851406 1113144610 /nfs/dbraw/zinc/14/46/10/1113144610.db2.gz GQSJXLIVJHLZKP-HSZRJFAPSA-N 3 1 363.549 4.035 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127664 1113184069 /nfs/dbraw/zinc/18/40/69/1113184069.db2.gz ORJIPHNLNIBYTG-VGSWGCGISA-N 2 1 350.506 4.108 20 0 FIADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000668028090 1113244262 /nfs/dbraw/zinc/24/42/62/1113244262.db2.gz XXTDJLBZRJPAFD-UHFFFAOYSA-N 2 1 355.457 4.073 20 0 FIADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482433514 1113252883 /nfs/dbraw/zinc/25/28/83/1113252883.db2.gz CQVITDHMPOKKQA-CTNGQTDRSA-N 2 1 352.522 4.301 20 0 FIADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482433514 1113252886 /nfs/dbraw/zinc/25/28/86/1113252886.db2.gz CQVITDHMPOKKQA-CTNGQTDRSA-N 2 1 352.522 4.301 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434947 1113253716 /nfs/dbraw/zinc/25/37/16/1113253716.db2.gz HGGDXCWGMARFSB-REWPJTCUSA-N 2 1 352.522 4.301 20 0 FIADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482445207 1113258795 /nfs/dbraw/zinc/25/87/95/1113258795.db2.gz AQDWNMJARJFAAJ-TZIWHRDSSA-N 2 1 352.522 4.301 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447804 1113259341 /nfs/dbraw/zinc/25/93/41/1113259341.db2.gz MVQGCRGVAPIARH-WBVHZDCISA-N 2 1 362.439 4.319 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447804 1113259347 /nfs/dbraw/zinc/25/93/47/1113259347.db2.gz MVQGCRGVAPIARH-WBVHZDCISA-N 2 1 362.439 4.319 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456633 1113260688 /nfs/dbraw/zinc/26/06/88/1113260688.db2.gz IFFUYPRODZXAIA-IEBWSBKVSA-N 2 1 356.485 4.050 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456633 1113260692 /nfs/dbraw/zinc/26/06/92/1113260692.db2.gz IFFUYPRODZXAIA-IEBWSBKVSA-N 2 1 356.485 4.050 20 0 FIADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482448439 1113262265 /nfs/dbraw/zinc/26/22/65/1113262265.db2.gz NWMQQTFPPXUWCS-FPOVZHCZSA-N 2 1 352.522 4.219 20 0 FIADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482448439 1113262271 /nfs/dbraw/zinc/26/22/71/1113262271.db2.gz NWMQQTFPPXUWCS-FPOVZHCZSA-N 2 1 352.522 4.219 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000482541179 1113288550 /nfs/dbraw/zinc/28/85/50/1113288550.db2.gz DZXPGHMBLOFKOT-IEBWSBKVSA-N 2 1 371.594 4.483 20 0 FIADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000482729711 1113341902 /nfs/dbraw/zinc/34/19/02/1113341902.db2.gz CWMMYORMJSRBBG-HKUYNNGSSA-N 2 1 365.443 4.217 20 0 FIADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000482729711 1113341906 /nfs/dbraw/zinc/34/19/06/1113341906.db2.gz CWMMYORMJSRBBG-HKUYNNGSSA-N 2 1 365.443 4.217 20 0 FIADMP Cc1ccc(CCC[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000668713684 1113680932 /nfs/dbraw/zinc/68/09/32/1113680932.db2.gz XXAVZDQBDQEDGB-HSZRJFAPSA-N 2 1 363.549 4.215 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001212142635 1114111417 /nfs/dbraw/zinc/11/14/17/1114111417.db2.gz OXHJLZOLCCQORP-AWEZNQCLSA-N 2 1 374.382 4.063 20 0 FIADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000489887922 1114182677 /nfs/dbraw/zinc/18/26/77/1114182677.db2.gz WIIIOVVRYXNGDL-SFHVURJKSA-N 2 1 367.493 4.011 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168592 1114228756 /nfs/dbraw/zinc/22/87/56/1114228756.db2.gz XROWYGDDJJTBRX-VGOFRKELSA-N 2 1 356.485 4.245 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168592 1114228760 /nfs/dbraw/zinc/22/87/60/1114228760.db2.gz XROWYGDDJJTBRX-VGOFRKELSA-N 2 1 356.485 4.245 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)[C@@H](C)C2 ZINC000490191052 1114234541 /nfs/dbraw/zinc/23/45/41/1114234541.db2.gz PECHFMCTLKEJDG-XLNZFTOWSA-N 2 1 364.533 4.239 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)[C@@H](C)C2 ZINC000490191052 1114234547 /nfs/dbraw/zinc/23/45/47/1114234547.db2.gz PECHFMCTLKEJDG-XLNZFTOWSA-N 2 1 364.533 4.239 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490961373 1114355903 /nfs/dbraw/zinc/35/59/03/1114355903.db2.gz BRHDVZLQKYXIAV-HYBUGGRVSA-N 2 1 369.597 4.192 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000586789360 1114393803 /nfs/dbraw/zinc/39/38/03/1114393803.db2.gz SNLBBHPYUYJCBN-SJLPKXTDSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000586789360 1114393807 /nfs/dbraw/zinc/39/38/07/1114393807.db2.gz SNLBBHPYUYJCBN-SJLPKXTDSA-N 2 1 372.534 4.098 20 0 FIADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000586789360 1114393813 /nfs/dbraw/zinc/39/38/13/1114393813.db2.gz SNLBBHPYUYJCBN-SJLPKXTDSA-N 2 1 372.534 4.098 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000572370810 1114638359 /nfs/dbraw/zinc/63/83/59/1114638359.db2.gz APHQHDBWHPSVPP-ZEQRLZLVSA-N 3 1 363.549 4.208 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000572370810 1114638360 /nfs/dbraw/zinc/63/83/60/1114638360.db2.gz APHQHDBWHPSVPP-ZEQRLZLVSA-N 3 1 363.549 4.208 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000589998756 1114872375 /nfs/dbraw/zinc/87/23/75/1114872375.db2.gz IOPUPAGZSAXPOI-UHFFFAOYSA-N 2 1 356.485 4.049 20 0 FIADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)o2)cc1 ZINC000590787247 1114973990 /nfs/dbraw/zinc/97/39/90/1114973990.db2.gz WIUXBWLLLIZGDT-QGZVFWFLSA-N 2 1 356.514 4.158 20 0 FIADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787056 1114974364 /nfs/dbraw/zinc/97/43/64/1114974364.db2.gz RCUVRNOHGDEYFV-MRXNPFEDSA-N 2 1 365.949 4.028 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000573089944 1115048426 /nfs/dbraw/zinc/04/84/26/1115048426.db2.gz LVZHZPOOIIWQRC-HXUWFJFHSA-N 2 1 367.562 4.480 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000573089944 1115048429 /nfs/dbraw/zinc/04/84/29/1115048429.db2.gz LVZHZPOOIIWQRC-HXUWFJFHSA-N 2 1 367.562 4.480 20 0 FIADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841212 1115102573 /nfs/dbraw/zinc/10/25/73/1115102573.db2.gz LRXNLDSSDVLJLJ-LJQANCHMSA-N 2 1 361.530 4.340 20 0 FIADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841212 1115102576 /nfs/dbraw/zinc/10/25/76/1115102576.db2.gz LRXNLDSSDVLJLJ-LJQANCHMSA-N 2 1 361.530 4.340 20 0 FIADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841212 1115102578 /nfs/dbraw/zinc/10/25/78/1115102578.db2.gz LRXNLDSSDVLJLJ-LJQANCHMSA-N 2 1 361.530 4.340 20 0 FIADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760841212 1115102580 /nfs/dbraw/zinc/10/25/80/1115102580.db2.gz LRXNLDSSDVLJLJ-LJQANCHMSA-N 2 1 361.530 4.340 20 0 FIADMP CSC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000591582304 1115109703 /nfs/dbraw/zinc/10/97/03/1115109703.db2.gz FVILLRLTOXNCEO-CVEARBPZSA-N 2 1 358.473 4.374 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000573863329 1115192376 /nfs/dbraw/zinc/19/23/76/1115192376.db2.gz OLEKCDCUCDVEPO-ILXRZTDVSA-N 2 1 366.347 4.148 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000573863329 1115192379 /nfs/dbraw/zinc/19/23/79/1115192379.db2.gz OLEKCDCUCDVEPO-ILXRZTDVSA-N 2 1 366.347 4.148 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919431 1115196019 /nfs/dbraw/zinc/19/60/19/1115196019.db2.gz LBDAYRPOABVDJV-PMACEKPBSA-N 2 1 356.579 4.307 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919431 1115196023 /nfs/dbraw/zinc/19/60/23/1115196023.db2.gz LBDAYRPOABVDJV-PMACEKPBSA-N 2 1 356.579 4.307 20 0 FIADMP Cc1ccncc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574199152 1115293828 /nfs/dbraw/zinc/29/38/28/1115293828.db2.gz PEWZZYXYLXRUSV-QFIPXVFZSA-N 2 1 351.538 4.213 20 0 FIADMP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574199152 1115293831 /nfs/dbraw/zinc/29/38/31/1115293831.db2.gz PEWZZYXYLXRUSV-QFIPXVFZSA-N 2 1 351.538 4.213 20 0 FIADMP COC1CCC(C)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574451579 1115384007 /nfs/dbraw/zinc/38/40/07/1115384007.db2.gz BRLAMDCBZMFYJP-HWELCPFYSA-N 2 1 356.554 4.369 20 0 FIADMP COC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574451579 1115384032 /nfs/dbraw/zinc/38/40/32/1115384032.db2.gz BRLAMDCBZMFYJP-HWELCPFYSA-N 2 1 356.554 4.369 20 0 FIADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000574624091 1115429520 /nfs/dbraw/zinc/42/95/20/1115429520.db2.gz HOQPEPGMJRQEHT-GMAHTHKFSA-N 2 1 355.570 4.209 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(C)o1 ZINC000594600912 1115463132 /nfs/dbraw/zinc/46/31/32/1115463132.db2.gz OBDZTYSDHTUFNN-INIZCTEOSA-N 2 1 370.493 4.039 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000594784336 1115481854 /nfs/dbraw/zinc/48/18/54/1115481854.db2.gz DIOKFAUJDVPLDB-SFHVURJKSA-N 2 1 358.913 4.350 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OCc2ccccn2)c1 ZINC000574868621 1115514975 /nfs/dbraw/zinc/51/49/75/1115514975.db2.gz JKUFTIAXIRIOSC-FNVCAUGXSA-N 2 1 359.473 4.456 20 0 FIADMP CC(C)(C)[N@H+]1CCCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000601513876 1115644284 /nfs/dbraw/zinc/64/42/84/1115644284.db2.gz MFVWWAOJHXTCPB-UHFFFAOYSA-N 2 1 362.315 4.308 20 0 FIADMP CC(C)(C)[N@@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000601513876 1115644287 /nfs/dbraw/zinc/64/42/87/1115644287.db2.gz MFVWWAOJHXTCPB-UHFFFAOYSA-N 2 1 362.315 4.308 20 0 FIADMP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000601513876 1115644289 /nfs/dbraw/zinc/64/42/89/1115644289.db2.gz MFVWWAOJHXTCPB-UHFFFAOYSA-N 2 1 362.315 4.308 20 0 FIADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614553 1115667922 /nfs/dbraw/zinc/66/79/22/1115667922.db2.gz YLSRVWJVXMPCTO-REWPJTCUSA-N 2 1 364.533 4.227 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000608053572 1116081869 /nfs/dbraw/zinc/08/18/69/1116081869.db2.gz VQCWKFQIDFAMEE-UHFFFAOYSA-N 2 1 360.933 4.233 20 0 FIADMP C[N@@H+](CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Cc1ccccc1 ZINC000534354018 1116188119 /nfs/dbraw/zinc/18/81/19/1116188119.db2.gz XCCIWSHIFYVRDX-GGAORHGYSA-N 2 1 352.522 4.266 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546874248 1116285129 /nfs/dbraw/zinc/28/51/29/1116285129.db2.gz UKBDPOXQGXZEQZ-OAQYLSRUSA-N 2 1 357.929 4.481 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000535416004 1116305713 /nfs/dbraw/zinc/30/57/13/1116305713.db2.gz YASJSIRKQWWTGL-QFIPXVFZSA-N 2 1 365.521 4.050 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000539544897 1116341782 /nfs/dbraw/zinc/34/17/82/1116341782.db2.gz LCEBJNYLDAREGM-UHFFFAOYSA-N 2 1 372.944 4.175 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000539547883 1116342092 /nfs/dbraw/zinc/34/20/92/1116342092.db2.gz WZCIINHMQTUNPU-UHFFFAOYSA-N 2 1 374.887 4.410 20 0 FIADMP Cc1nc2ccccn2c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000539824309 1116383907 /nfs/dbraw/zinc/38/39/07/1116383907.db2.gz DJIGJGRPWJFPIV-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP Cc1cccn2c(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cnc12 ZINC000539825394 1116384040 /nfs/dbraw/zinc/38/40/40/1116384040.db2.gz RIGJBXUSJNORQH-LJQANCHMSA-N 2 1 354.542 4.119 20 0 FIADMP CC[N@@H+](Cc1cccc(OC)c1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861892 1116392388 /nfs/dbraw/zinc/39/23/88/1116392388.db2.gz ABZTWGZJLAQIPB-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@H+](Cc1cccc(OC)c1OC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861892 1116392390 /nfs/dbraw/zinc/39/23/90/1116392390.db2.gz ABZTWGZJLAQIPB-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cccc(OC)c1OC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861892 1116392392 /nfs/dbraw/zinc/39/23/92/1116392392.db2.gz ABZTWGZJLAQIPB-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cccc(OC)c1OC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861892 1116392394 /nfs/dbraw/zinc/39/23/94/1116392394.db2.gz ABZTWGZJLAQIPB-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC(C)(C)C1CCC(O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000462749285 1117751177 /nfs/dbraw/zinc/75/11/77/1117751177.db2.gz IBPWBYVZIWCGDU-UHFFFAOYSA-N 2 1 358.570 4.208 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000462794752 1117777186 /nfs/dbraw/zinc/77/71/86/1117777186.db2.gz WSUXSNOIUHGVFF-UHFFFAOYSA-N 2 1 368.521 4.383 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000462797162 1117778614 /nfs/dbraw/zinc/77/86/14/1117778614.db2.gz BIDSUPHJHMVTOO-SFHVURJKSA-N 2 1 354.542 4.294 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000462810204 1117780200 /nfs/dbraw/zinc/78/02/00/1117780200.db2.gz ZNMIXYFXVAPOTJ-WTNAPCKOSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000462810204 1117780203 /nfs/dbraw/zinc/78/02/03/1117780203.db2.gz ZNMIXYFXVAPOTJ-WTNAPCKOSA-N 2 1 350.506 4.270 20 0 FIADMP CCc1nc2ccccc2n1C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000540056396 1117845895 /nfs/dbraw/zinc/84/58/95/1117845895.db2.gz RMTHCXBXIVDKEV-SFHVURJKSA-N 2 1 354.542 4.110 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000462942322 1117871158 /nfs/dbraw/zinc/87/11/58/1117871158.db2.gz LAUWMCJQWUVIJM-HNNXBMFYSA-N 2 1 363.452 4.313 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095692 1117963996 /nfs/dbraw/zinc/96/39/96/1117963996.db2.gz FRYSAOOWNQBWKB-FQEVSTJZSA-N 2 1 356.558 4.179 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095692 1117963998 /nfs/dbraw/zinc/96/39/98/1117963998.db2.gz FRYSAOOWNQBWKB-FQEVSTJZSA-N 2 1 356.558 4.179 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095692 1117963999 /nfs/dbraw/zinc/96/39/99/1117963999.db2.gz FRYSAOOWNQBWKB-FQEVSTJZSA-N 2 1 356.558 4.179 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C2CC2)cc1 ZINC000540302124 1117975725 /nfs/dbraw/zinc/97/57/25/1117975725.db2.gz QMPVIDGCHGEKDG-DVECYGJZSA-N 2 1 364.533 4.457 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C2CC2)cc1 ZINC000540302124 1117975728 /nfs/dbraw/zinc/97/57/28/1117975728.db2.gz QMPVIDGCHGEKDG-DVECYGJZSA-N 2 1 364.533 4.457 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463135198 1117984741 /nfs/dbraw/zinc/98/47/41/1117984741.db2.gz VNXIZQGOMNUTGP-PUHATCMVSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463135198 1117984743 /nfs/dbraw/zinc/98/47/43/1117984743.db2.gz VNXIZQGOMNUTGP-PUHATCMVSA-N 2 1 363.549 4.298 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137188 1117985814 /nfs/dbraw/zinc/98/58/14/1117985814.db2.gz JHCMIMMOQCVWNX-AUSIDOKSSA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137188 1117985818 /nfs/dbraw/zinc/98/58/18/1117985818.db2.gz JHCMIMMOQCVWNX-AUSIDOKSSA-N 2 1 352.522 4.366 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463138805 1117986556 /nfs/dbraw/zinc/98/65/56/1117986556.db2.gz QNHXXXICBDOJMF-VXKWHMMOSA-N 3 1 371.613 4.041 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463155473 1117994137 /nfs/dbraw/zinc/99/41/37/1117994137.db2.gz IVVARILOIVDNTJ-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463155473 1117994141 /nfs/dbraw/zinc/99/41/41/1117994141.db2.gz IVVARILOIVDNTJ-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCc3cccc(F)c3)CC2)cc1 ZINC000463154716 1117995107 /nfs/dbraw/zinc/99/51/07/1117995107.db2.gz FSAGGFPMIHHPMY-UHFFFAOYSA-N 2 1 358.476 4.194 20 0 FIADMP CCOc1cccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463191712 1118008529 /nfs/dbraw/zinc/00/85/29/1118008529.db2.gz NPTRYMAUYQLWMN-UHFFFAOYSA-N 2 1 370.512 4.064 20 0 FIADMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463277931 1118066544 /nfs/dbraw/zinc/06/65/44/1118066544.db2.gz AHDAKPWHDWPFCK-FQEVSTJZSA-N 2 1 366.549 4.171 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463284167 1118070345 /nfs/dbraw/zinc/07/03/45/1118070345.db2.gz VCTWDTXQTWMXIO-WIYYLYMNSA-N 2 1 365.521 4.156 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463284167 1118070349 /nfs/dbraw/zinc/07/03/49/1118070349.db2.gz VCTWDTXQTWMXIO-WIYYLYMNSA-N 2 1 365.521 4.156 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CCN1Cc1ccccc1 ZINC000540482646 1118081969 /nfs/dbraw/zinc/08/19/69/1118081969.db2.gz AXFIFSDFLDTXFF-WIYYLYMNSA-N 2 1 362.521 4.058 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000540482646 1118081974 /nfs/dbraw/zinc/08/19/74/1118081974.db2.gz AXFIFSDFLDTXFF-WIYYLYMNSA-N 2 1 362.521 4.058 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000540482646 1118081979 /nfs/dbraw/zinc/08/19/79/1118081979.db2.gz AXFIFSDFLDTXFF-WIYYLYMNSA-N 2 1 362.521 4.058 20 0 FIADMP CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552984 1118559954 /nfs/dbraw/zinc/55/99/54/1118559954.db2.gz YLNSQRRLHCLXRB-HXOBKFHXSA-N 2 1 363.480 4.395 20 0 FIADMP C[NH+]1CCN(CCCC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000541849109 1118669794 /nfs/dbraw/zinc/66/97/94/1118669794.db2.gz QPTQKLNCWGCLPY-OAQYLSRUSA-N 2 1 357.542 4.137 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000464781421 1118692672 /nfs/dbraw/zinc/69/26/72/1118692672.db2.gz ZJBCYLOLKUNEKJ-IBGZPJMESA-N 2 1 362.521 4.165 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000464781421 1118692673 /nfs/dbraw/zinc/69/26/73/1118692673.db2.gz ZJBCYLOLKUNEKJ-IBGZPJMESA-N 2 1 362.521 4.165 20 0 FIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000541913874 1118699237 /nfs/dbraw/zinc/69/92/37/1118699237.db2.gz ATIINYFGIMHEOC-RPWUZVMVSA-N 2 1 364.533 4.274 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793200 1118700359 /nfs/dbraw/zinc/70/03/59/1118700359.db2.gz YISJWSYGYMEARL-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793200 1118700363 /nfs/dbraw/zinc/70/03/63/1118700363.db2.gz YISJWSYGYMEARL-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793200 1118700368 /nfs/dbraw/zinc/70/03/68/1118700368.db2.gz YISJWSYGYMEARL-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793200 1118700372 /nfs/dbraw/zinc/70/03/72/1118700372.db2.gz YISJWSYGYMEARL-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(OC)c3)CC2)cs1 ZINC000177324458 1119324632 /nfs/dbraw/zinc/32/46/32/1119324632.db2.gz PYHODBRGWINDGH-INIZCTEOSA-N 2 1 373.566 4.277 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000542464840 1119337964 /nfs/dbraw/zinc/33/79/64/1119337964.db2.gz LYGFYHVOCKXAJJ-BTYIYWSLSA-N 2 1 350.441 4.298 20 0 FIADMP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000311991671 1119397410 /nfs/dbraw/zinc/39/74/10/1119397410.db2.gz ONTYLSHAPOCPJO-MRXNPFEDSA-N 2 1 366.402 4.456 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000178695469 1119403726 /nfs/dbraw/zinc/40/37/26/1119403726.db2.gz FQKDOXJBAQNRIO-CYBMUJFWSA-N 2 1 362.880 4.206 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898527 1119507575 /nfs/dbraw/zinc/50/75/75/1119507575.db2.gz XAKLFNYIGCCHGJ-SIKLNZKXSA-N 2 1 372.940 4.182 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898527 1119507580 /nfs/dbraw/zinc/50/75/80/1119507580.db2.gz XAKLFNYIGCCHGJ-SIKLNZKXSA-N 2 1 372.940 4.182 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc2)cc1 ZINC000494074552 1119537164 /nfs/dbraw/zinc/53/71/64/1119537164.db2.gz GNYYLKNNQKVUFR-RBZQAINGSA-N 2 1 364.533 4.052 20 0 FIADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000186138956 1119708624 /nfs/dbraw/zinc/70/86/24/1119708624.db2.gz MJAZGQJRAYLJLE-CABCVRRESA-N 2 1 350.553 4.381 20 0 FIADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000186138956 1119708629 /nfs/dbraw/zinc/70/86/29/1119708629.db2.gz MJAZGQJRAYLJLE-CABCVRRESA-N 2 1 350.553 4.381 20 0 FIADMP CC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000017313546 1119875750 /nfs/dbraw/zinc/87/57/50/1119875750.db2.gz XJRNFMNGHSMAII-UHFFFAOYSA-N 2 1 371.912 4.166 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191144318 1119962860 /nfs/dbraw/zinc/96/28/60/1119962860.db2.gz JYHSQGOJBIKXCA-QGZVFWFLSA-N 2 1 354.542 4.046 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191144318 1119962863 /nfs/dbraw/zinc/96/28/63/1119962863.db2.gz JYHSQGOJBIKXCA-QGZVFWFLSA-N 2 1 354.542 4.046 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCS2 ZINC000191484251 1119979263 /nfs/dbraw/zinc/97/92/63/1119979263.db2.gz DBVSAMUMHMFSSG-OAQYLSRUSA-N 2 1 368.546 4.486 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc(C)[nH+]3)CC1)CCS2 ZINC000191515712 1119981239 /nfs/dbraw/zinc/98/12/39/1119981239.db2.gz VYDJCEGWTOSKIL-LJQANCHMSA-N 2 1 369.534 4.194 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192178546 1120036865 /nfs/dbraw/zinc/03/68/65/1120036865.db2.gz GABSSESPXXBWMJ-UHFFFAOYSA-N 2 1 356.695 4.177 20 0 FIADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CCCCC2)n1 ZINC000192927356 1120090055 /nfs/dbraw/zinc/09/00/55/1120090055.db2.gz IWRCCWFGKDZMPX-FQEVSTJZSA-N 2 1 366.553 4.080 20 0 FIADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C2CCCCC2)n1 ZINC000192927356 1120090062 /nfs/dbraw/zinc/09/00/62/1120090062.db2.gz IWRCCWFGKDZMPX-FQEVSTJZSA-N 2 1 366.553 4.080 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192929396 1120090395 /nfs/dbraw/zinc/09/03/95/1120090395.db2.gz QMIPIENNOAASIZ-QFIPXVFZSA-N 2 1 374.532 4.101 20 0 FIADMP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192918735 1120090643 /nfs/dbraw/zinc/09/06/43/1120090643.db2.gz LOMIJWLJOGXIHK-AVAKVYKDSA-N 2 1 354.460 4.467 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(Cl)cs3)CC2)oc1C ZINC000193099921 1120099465 /nfs/dbraw/zinc/09/94/65/1120099465.db2.gz XCKMQVSXOHWPBE-UHFFFAOYSA-N 2 1 353.919 4.008 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000195132588 1120119624 /nfs/dbraw/zinc/11/96/24/1120119624.db2.gz TYQIFNHIGDIPTK-ICSRJNTNSA-N 2 1 368.521 4.185 20 0 FIADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139646 1120120557 /nfs/dbraw/zinc/12/05/57/1120120557.db2.gz IXRMNANMJYPRGC-ZWKOTPCHSA-N 2 1 355.551 4.195 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000194056586 1120235078 /nfs/dbraw/zinc/23/50/78/1120235078.db2.gz PQUFWWGVJLYTOD-YKXHTNLXSA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000194056586 1120235087 /nfs/dbraw/zinc/23/50/87/1120235087.db2.gz PQUFWWGVJLYTOD-YKXHTNLXSA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000494989694 1120414666 /nfs/dbraw/zinc/41/46/66/1120414666.db2.gz URIMWSROHWGHSQ-HXUWFJFHSA-N 2 1 371.322 4.390 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000494989694 1120414669 /nfs/dbraw/zinc/41/46/69/1120414669.db2.gz URIMWSROHWGHSQ-HXUWFJFHSA-N 2 1 371.322 4.390 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000494989444 1120414703 /nfs/dbraw/zinc/41/47/03/1120414703.db2.gz SSUSNMGBXGCANO-HXUWFJFHSA-N 2 1 358.432 4.229 20 0 FIADMP C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532759 1120429724 /nfs/dbraw/zinc/42/97/24/1120429724.db2.gz PTCHHTCADZOSSH-JKSUJKDBSA-N 2 1 370.459 4.327 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ncc(Br)cc1F ZINC000250125585 1120477168 /nfs/dbraw/zinc/47/71/68/1120477168.db2.gz WCQOLIVQUUFHNC-ZIAGYGMSSA-N 2 1 372.326 4.146 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495431939 1120817052 /nfs/dbraw/zinc/81/70/52/1120817052.db2.gz GALCVQMOGDVRFX-MIZPHKNDSA-N 2 1 374.532 4.434 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000236792064 1120969747 /nfs/dbraw/zinc/96/97/47/1120969747.db2.gz WMKICCFEMRRQHR-UHFFFAOYSA-N 2 1 374.960 4.353 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000237621956 1120980279 /nfs/dbraw/zinc/98/02/79/1120980279.db2.gz IRVMEVAEDKZYQN-CALCHBBNSA-N 2 1 358.913 4.239 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000237623198 1120980533 /nfs/dbraw/zinc/98/05/33/1120980533.db2.gz QOSPTRDBFVITFY-CALCHBBNSA-N 2 1 358.913 4.239 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000315702659 1120993513 /nfs/dbraw/zinc/99/35/13/1120993513.db2.gz VUNQWAJKUGBOMY-AWEZNQCLSA-N 2 1 369.347 4.373 20 0 FIADMP Cc1c(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000915678475 1121019413 /nfs/dbraw/zinc/01/94/13/1121019413.db2.gz NRVOKYYLPLVFLE-OKILXGFUSA-N 2 1 360.571 4.074 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](c4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000123414161 1121510242 /nfs/dbraw/zinc/51/02/42/1121510242.db2.gz WJGPYBRUPCDHJY-LEWJYISDSA-N 2 1 364.537 4.234 20 0 FIADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000108368965 1121533472 /nfs/dbraw/zinc/53/34/72/1121533472.db2.gz LMULVBSRAZBRBL-UHFFFAOYSA-N 2 1 365.521 4.145 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000108428097 1121541888 /nfs/dbraw/zinc/54/18/88/1121541888.db2.gz HVPHRVZUZFMAKK-QGZVFWFLSA-N 2 1 366.534 4.032 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000671740214 1121642270 /nfs/dbraw/zinc/64/22/70/1121642270.db2.gz TXSPYKUIHGZFPZ-GHRCFYLDSA-N 2 1 372.397 4.358 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000123913165 1121644570 /nfs/dbraw/zinc/64/45/70/1121644570.db2.gz LQMVQLKVMOVEMD-MRXNPFEDSA-N 2 1 365.521 4.219 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744909 1121663294 /nfs/dbraw/zinc/66/32/94/1121663294.db2.gz DWZQZXVSCWHZBB-CABCVRRESA-N 2 1 371.506 4.158 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744909 1121663302 /nfs/dbraw/zinc/66/33/02/1121663302.db2.gz DWZQZXVSCWHZBB-CABCVRRESA-N 2 1 371.506 4.158 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744910 1121663359 /nfs/dbraw/zinc/66/33/59/1121663359.db2.gz DWZQZXVSCWHZBB-GJZGRUSLSA-N 2 1 371.506 4.158 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744910 1121663370 /nfs/dbraw/zinc/66/33/70/1121663370.db2.gz DWZQZXVSCWHZBB-GJZGRUSLSA-N 2 1 371.506 4.158 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1(C)C ZINC001649090726 1121717099 /nfs/dbraw/zinc/71/70/99/1121717099.db2.gz KKKUSNTUEOQRGJ-HSZRJFAPSA-N 3 1 371.613 4.184 20 0 FIADMP CN1CC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1(C)C ZINC001649090726 1121717102 /nfs/dbraw/zinc/71/71/02/1121717102.db2.gz KKKUSNTUEOQRGJ-HSZRJFAPSA-N 2 1 371.613 4.184 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000063917500 1121727664 /nfs/dbraw/zinc/72/76/64/1121727664.db2.gz SPZPNAFJHDEXEQ-GOSISDBHSA-N 2 1 368.521 4.192 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)ccn2)cc1 ZINC000124956622 1121734028 /nfs/dbraw/zinc/73/40/28/1121734028.db2.gz WTXSMVXPNVYEBO-DYESRHJHSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)ccn2)cc1 ZINC000124956622 1121734032 /nfs/dbraw/zinc/73/40/32/1121734032.db2.gz WTXSMVXPNVYEBO-DYESRHJHSA-N 2 1 369.509 4.093 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000125184734 1121754904 /nfs/dbraw/zinc/75/49/04/1121754904.db2.gz DJJKBPLOJDFKOO-LJQANCHMSA-N 2 1 365.525 4.392 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000125184734 1121754911 /nfs/dbraw/zinc/75/49/11/1121754911.db2.gz DJJKBPLOJDFKOO-LJQANCHMSA-N 2 1 365.525 4.392 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671759911 1121785457 /nfs/dbraw/zinc/78/54/57/1121785457.db2.gz UWRGRCYEJTXCID-TXPKVOOTSA-N 2 1 365.477 4.095 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000125852922 1121851733 /nfs/dbraw/zinc/85/17/33/1121851733.db2.gz GZCISMVJAOUFEJ-UHFFFAOYSA-N 2 1 352.457 4.381 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000125852922 1121851748 /nfs/dbraw/zinc/85/17/48/1121851748.db2.gz GZCISMVJAOUFEJ-UHFFFAOYSA-N 2 1 352.457 4.381 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000125872522 1121856924 /nfs/dbraw/zinc/85/69/24/1121856924.db2.gz CBIMCBMPNFGQTO-LJQANCHMSA-N 2 1 363.977 4.014 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000125955006 1121885729 /nfs/dbraw/zinc/88/57/29/1121885729.db2.gz YPCMHCYZHQJFGJ-LSDHHAIUSA-N 2 1 354.922 4.128 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000125955006 1121885744 /nfs/dbraw/zinc/88/57/44/1121885744.db2.gz YPCMHCYZHQJFGJ-LSDHHAIUSA-N 2 1 354.922 4.128 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000765775975 1121971419 /nfs/dbraw/zinc/97/14/19/1121971419.db2.gz OKQXXULIWJQNCG-GOSISDBHSA-N 2 1 362.521 4.483 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126801988 1121997534 /nfs/dbraw/zinc/99/75/34/1121997534.db2.gz MIDPGQJYHZUYSP-CVEARBPZSA-N 2 1 362.514 4.459 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126801988 1121997541 /nfs/dbraw/zinc/99/75/41/1121997541.db2.gz MIDPGQJYHZUYSP-CVEARBPZSA-N 2 1 362.514 4.459 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000917008331 1122000799 /nfs/dbraw/zinc/00/07/99/1122000799.db2.gz JQNNPQFWRIUWJD-IIBYNOLFSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3F)cc2)C1 ZINC000917009120 1122002173 /nfs/dbraw/zinc/00/21/73/1122002173.db2.gz XXUBUMVOUICRDY-ZHRRBRCNSA-N 2 1 374.475 4.020 20 0 FIADMP Fc1cc(F)cc(Oc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000065889321 1122003569 /nfs/dbraw/zinc/00/35/69/1122003569.db2.gz SIZXWSOAOYROJB-UHFFFAOYSA-N 2 1 358.432 4.474 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([N@H+](Cc3ccccc3)C[C@H](C)C[NH3+])CCO2)cc1 ZINC001168615492 1122070048 /nfs/dbraw/zinc/07/00/48/1122070048.db2.gz OFDINLDFYPIIFB-JZWVFAODSA-N 2 1 368.521 4.012 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000765815688 1122123415 /nfs/dbraw/zinc/12/34/15/1122123415.db2.gz KXBQBDZFUCTQQC-WTNAPCKOSA-N 2 1 372.940 4.048 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([N@@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626997 1122187608 /nfs/dbraw/zinc/18/76/08/1122187608.db2.gz ZVRJXQBEBCIYRH-VMBXEPDQSA-N 2 1 360.542 4.143 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CCC2)o1 ZINC000542680639 1122268909 /nfs/dbraw/zinc/26/89/09/1122268909.db2.gz CZSNNGDBWXJHHX-GMAHTHKFSA-N 2 1 368.521 4.176 20 0 FIADMP C[C@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000262640638 1122269454 /nfs/dbraw/zinc/26/94/54/1122269454.db2.gz KASOZLHTUOAVST-MOPGFXCFSA-N 2 1 371.569 4.415 20 0 FIADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC000401088550 1122318421 /nfs/dbraw/zinc/31/84/21/1122318421.db2.gz SVWUFVVOQRXMLJ-QFIPXVFZSA-N 2 1 351.538 4.131 20 0 FIADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC000401088550 1122318428 /nfs/dbraw/zinc/31/84/28/1122318428.db2.gz SVWUFVVOQRXMLJ-QFIPXVFZSA-N 2 1 351.538 4.131 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812463 1122415889 /nfs/dbraw/zinc/41/58/89/1122415889.db2.gz KWVFPLSUOFBSAW-KNQAVFIVSA-N 2 1 355.501 4.072 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812463 1122415892 /nfs/dbraw/zinc/41/58/92/1122415892.db2.gz KWVFPLSUOFBSAW-KNQAVFIVSA-N 2 1 355.501 4.072 20 0 FIADMP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000129307819 1122567618 /nfs/dbraw/zinc/56/76/18/1122567618.db2.gz BOYMVNILFJBRNV-PMACEKPBSA-N 2 1 350.547 4.096 20 0 FIADMP CN(CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556058415 1122627718 /nfs/dbraw/zinc/62/77/18/1122627718.db2.gz IBQLKGUNCKNIKX-GGAORHGYSA-N 2 1 351.538 4.328 20 0 FIADMP CN(CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556058415 1122627722 /nfs/dbraw/zinc/62/77/22/1122627722.db2.gz IBQLKGUNCKNIKX-GGAORHGYSA-N 2 1 351.538 4.328 20 0 FIADMP CN(CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556058417 1122628316 /nfs/dbraw/zinc/62/83/16/1122628316.db2.gz IBQLKGUNCKNIKX-JTHBVZDNSA-N 2 1 351.538 4.328 20 0 FIADMP CN(CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556058417 1122628318 /nfs/dbraw/zinc/62/83/18/1122628318.db2.gz IBQLKGUNCKNIKX-JTHBVZDNSA-N 2 1 351.538 4.328 20 0 FIADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c2ccccc21 ZINC000556077402 1122639807 /nfs/dbraw/zinc/63/98/07/1122639807.db2.gz XOSIZRYEMAOYPE-QGZVFWFLSA-N 2 1 356.485 4.275 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H]1c1ccccc1 ZINC000556094301 1122648284 /nfs/dbraw/zinc/64/82/84/1122648284.db2.gz WNMUSVOIXOZIFD-KNQAVFIVSA-N 2 1 351.469 4.275 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H]1c1ccccc1 ZINC000556094301 1122648288 /nfs/dbraw/zinc/64/82/88/1122648288.db2.gz WNMUSVOIXOZIFD-KNQAVFIVSA-N 2 1 351.469 4.275 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094356 1122649092 /nfs/dbraw/zinc/64/90/92/1122649092.db2.gz SGNFWRTXHHFHHN-NXHRZFHOSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094356 1122649093 /nfs/dbraw/zinc/64/90/93/1122649093.db2.gz SGNFWRTXHHFHHN-NXHRZFHOSA-N 2 1 370.459 4.245 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129892 1122676607 /nfs/dbraw/zinc/67/66/07/1122676607.db2.gz IKGNYQOGTMUNPF-MZTRBVECSA-N 2 1 356.485 4.327 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129892 1122676611 /nfs/dbraw/zinc/67/66/11/1122676611.db2.gz IKGNYQOGTMUNPF-MZTRBVECSA-N 2 1 356.485 4.327 20 0 FIADMP CC[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194909 1122726730 /nfs/dbraw/zinc/72/67/30/1122726730.db2.gz IQIUTQATWIXTPW-QPTUXGOLSA-N 2 1 364.533 4.290 20 0 FIADMP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194909 1122726734 /nfs/dbraw/zinc/72/67/34/1122726734.db2.gz IQIUTQATWIXTPW-QPTUXGOLSA-N 2 1 364.533 4.290 20 0 FIADMP COc1ccccc1CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556233268 1122750670 /nfs/dbraw/zinc/75/06/70/1122750670.db2.gz MELPBFBOPYENFS-UHFFFAOYSA-N 2 1 352.522 4.271 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234333 1122751244 /nfs/dbraw/zinc/75/12/44/1122751244.db2.gz WRGZNKUTMNQGIG-VXKWHMMOSA-N 2 1 368.565 4.228 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000131160841 1122994851 /nfs/dbraw/zinc/99/48/51/1122994851.db2.gz SBFJESJHYGDJFB-INIZCTEOSA-N 2 1 358.917 4.038 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000131160841 1122994853 /nfs/dbraw/zinc/99/48/53/1122994853.db2.gz SBFJESJHYGDJFB-INIZCTEOSA-N 2 1 358.917 4.038 20 0 FIADMP CC(C)(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccccc2o1 ZINC000498942658 1123093747 /nfs/dbraw/zinc/09/37/47/1123093747.db2.gz MWIDGRKIZOCQBH-NQIIRXRSSA-N 2 1 358.526 4.347 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H]2CCC[C@H]21 ZINC000556870152 1123151975 /nfs/dbraw/zinc/15/19/75/1123151975.db2.gz DAOWEFUOAKGFJA-ZSYWTGECSA-N 2 1 350.453 4.128 20 0 FIADMP Cc1cccc2ncc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n21 ZINC000556883622 1123158106 /nfs/dbraw/zinc/15/81/06/1123158106.db2.gz RNMFHEVHGDCDGL-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000499060607 1123173537 /nfs/dbraw/zinc/17/35/37/1123173537.db2.gz WAICPDWTKFSMKF-UHFFFAOYSA-N 2 1 369.488 4.066 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000499060607 1123173539 /nfs/dbraw/zinc/17/35/39/1123173539.db2.gz WAICPDWTKFSMKF-UHFFFAOYSA-N 2 1 369.488 4.066 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)CC[N@H+]1C ZINC000556914520 1123223442 /nfs/dbraw/zinc/22/34/42/1123223442.db2.gz JILBKYHSFUCFQH-QWHCGFSZSA-N 2 1 357.361 4.005 20 0 FIADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000132339489 1123244858 /nfs/dbraw/zinc/24/48/58/1123244858.db2.gz GNWBFUUVTOANQK-GOSISDBHSA-N 2 1 355.551 4.337 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499140168 1123281939 /nfs/dbraw/zinc/28/19/39/1123281939.db2.gz GMVYQAYSNNZQQT-WBDAEOGXSA-N 2 1 364.533 4.413 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499140164 1123282303 /nfs/dbraw/zinc/28/23/03/1123282303.db2.gz GMVYQAYSNNZQQT-NUNAXRQHSA-N 2 1 364.533 4.413 20 0 FIADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)c1ccccc1 ZINC000499141000 1123283853 /nfs/dbraw/zinc/28/38/53/1123283853.db2.gz IYKOJDCQSDIOSP-LPHRJVMESA-N 2 1 363.549 4.297 20 0 FIADMP Fc1ccc(OCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499143829 1123286417 /nfs/dbraw/zinc/28/64/17/1123286417.db2.gz BHSNAPQNHHQWTP-KOUNCHBCSA-N 2 1 368.496 4.380 20 0 FIADMP Fc1cc(F)cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499156469 1123289625 /nfs/dbraw/zinc/28/96/25/1123289625.db2.gz MAHICXZFWGMUIY-KOUNCHBCSA-N 2 1 356.460 4.293 20 0 FIADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152533 1123294704 /nfs/dbraw/zinc/29/47/04/1123294704.db2.gz OWMDJYOIAWOYHL-WMAOBNEYSA-N 2 1 355.570 4.035 20 0 FIADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499214781 1123331129 /nfs/dbraw/zinc/33/11/29/1123331129.db2.gz CUZVSYPRKASBPL-ODAXIHTASA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499214781 1123331132 /nfs/dbraw/zinc/33/11/32/1123331132.db2.gz CUZVSYPRKASBPL-ODAXIHTASA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499214781 1123331136 /nfs/dbraw/zinc/33/11/36/1123331136.db2.gz CUZVSYPRKASBPL-ODAXIHTASA-N 2 1 355.570 4.036 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000499221355 1123335094 /nfs/dbraw/zinc/33/50/94/1123335094.db2.gz YVPPHYQGSVHOBB-QMCAAQAGSA-N 2 1 354.538 4.119 20 0 FIADMP CC(C)[NH+](CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000499237450 1123349610 /nfs/dbraw/zinc/34/96/10/1123349610.db2.gz MZOIJGFTXIAOKN-WBDAEOGXSA-N 2 1 357.586 4.281 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000237076057 1123592960 /nfs/dbraw/zinc/59/29/60/1123592960.db2.gz UJSPUORPKSDQAI-HXUWFJFHSA-N 2 1 374.532 4.279 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1F ZINC000237652601 1124012030 /nfs/dbraw/zinc/01/20/30/1124012030.db2.gz JRLMGOIMJUZDDC-UHFFFAOYSA-N 2 1 365.452 4.323 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ncc(Br)s1 ZINC000245696290 1124205561 /nfs/dbraw/zinc/20/55/61/1124205561.db2.gz VPFAMMABDYGWGD-HZSPNIEDSA-N 2 1 374.392 4.314 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC2CC[NH+](C4CCCC4)CC2)C3)cc1 ZINC000245706068 1124211132 /nfs/dbraw/zinc/21/11/32/1124211132.db2.gz MKZGEVNTEUQMQT-ULPXVVAUSA-N 2 1 367.581 4.179 20 0 FIADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245733519 1124227747 /nfs/dbraw/zinc/22/77/47/1124227747.db2.gz QOBJSBLGUCDSKF-GPJHCHHRSA-N 2 1 350.506 4.159 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245750747 1124239650 /nfs/dbraw/zinc/23/96/50/1124239650.db2.gz TZHHCWDQVWYPKN-CAUSLRQDSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245750747 1124239655 /nfs/dbraw/zinc/23/96/55/1124239655.db2.gz TZHHCWDQVWYPKN-CAUSLRQDSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245750747 1124239658 /nfs/dbraw/zinc/23/96/58/1124239658.db2.gz TZHHCWDQVWYPKN-CAUSLRQDSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750747 1124239662 /nfs/dbraw/zinc/23/96/62/1124239662.db2.gz TZHHCWDQVWYPKN-CAUSLRQDSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245750747 1124239668 /nfs/dbraw/zinc/23/96/68/1124239668.db2.gz TZHHCWDQVWYPKN-CAUSLRQDSA-N 2 1 369.597 4.284 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754494 1124241727 /nfs/dbraw/zinc/24/17/27/1124241727.db2.gz UPDBWZHKOGZTQE-PLACYPQZSA-N 2 1 369.578 4.136 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245991985 1124305361 /nfs/dbraw/zinc/30/53/61/1124305361.db2.gz QVFJOSZFAHPMJQ-OXJNMPFZSA-N 2 1 360.448 4.309 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245991985 1124305366 /nfs/dbraw/zinc/30/53/66/1124305366.db2.gz QVFJOSZFAHPMJQ-OXJNMPFZSA-N 2 1 360.448 4.309 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000108428242 1124317242 /nfs/dbraw/zinc/31/72/42/1124317242.db2.gz JYJRFIURESUACV-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP c1[nH+]c2cc(N[C@H]3CCNc4ccccc43)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168648041 1124325392 /nfs/dbraw/zinc/32/53/92/1124325392.db2.gz ZILDJANJUCMYEL-XLIONFOSSA-N 2 1 361.493 4.320 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1OC(F)F ZINC000246313897 1124442444 /nfs/dbraw/zinc/44/24/44/1124442444.db2.gz DVJCTGBNIQSERQ-HZPDHXFCSA-N 2 1 370.484 4.315 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847241 1124447214 /nfs/dbraw/zinc/44/72/14/1124447214.db2.gz OTESYAQCXDTKQM-IEGUWTFLSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847241 1124447219 /nfs/dbraw/zinc/44/72/19/1124447219.db2.gz OTESYAQCXDTKQM-IEGUWTFLSA-N 2 1 365.521 4.206 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000542848568 1124449237 /nfs/dbraw/zinc/44/92/37/1124449237.db2.gz RWLYHQQSGKKLPQ-AVRDEDQJSA-N 2 1 370.924 4.074 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1F ZINC000246560891 1124533569 /nfs/dbraw/zinc/53/35/69/1124533569.db2.gz KMOANTAJSZZGLZ-FGTMMUONSA-N 2 1 356.485 4.286 20 0 FIADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248403056 1124762270 /nfs/dbraw/zinc/76/22/70/1124762270.db2.gz OBDOUBSSFBSIHD-BJLQDIEVSA-N 2 1 360.542 4.015 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403845 1124762643 /nfs/dbraw/zinc/76/26/43/1124762643.db2.gz PGCFDOKNDJNRLX-SCTDSRPQSA-N 2 1 358.526 4.152 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000248437065 1124767958 /nfs/dbraw/zinc/76/79/58/1124767958.db2.gz GTAHHHLIVBMCPU-KKSFZXQISA-N 2 1 358.913 4.148 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccs1 ZINC000248443177 1124769123 /nfs/dbraw/zinc/76/91/23/1124769123.db2.gz LIGITNKMTSMPKS-WOJBJXKFSA-N 2 1 358.551 4.192 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248462777 1124774120 /nfs/dbraw/zinc/77/41/20/1124774120.db2.gz YMQZQPUCSFKTNP-NHCUHLMSSA-N 2 1 358.913 4.148 20 0 FIADMP Clc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000248961374 1124830845 /nfs/dbraw/zinc/83/08/45/1124830845.db2.gz BEBPRBNURUORCJ-YESZJQIVSA-N 2 1 368.352 4.179 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000249058453 1124839701 /nfs/dbraw/zinc/83/97/01/1124839701.db2.gz ZJAUCQILUYIMDN-MZADTFQBSA-N 2 1 367.562 4.479 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000249058453 1124839717 /nfs/dbraw/zinc/83/97/17/1124839717.db2.gz ZJAUCQILUYIMDN-MZADTFQBSA-N 2 1 367.562 4.479 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249205523 1124850350 /nfs/dbraw/zinc/85/03/50/1124850350.db2.gz VRWZETWYIYLZKB-FCHUYYIVSA-N 2 1 356.485 4.023 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089701445 1124929247 /nfs/dbraw/zinc/92/92/47/1124929247.db2.gz IEEFNQIUNRTAIK-ZBEGNZNMSA-N 2 1 366.278 4.006 20 0 FIADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3nc(C(C)(C)C)co3)cc2)CC1 ZINC000921909063 1124955637 /nfs/dbraw/zinc/95/56/37/1124955637.db2.gz SALPQOTZCGBZMW-UHFFFAOYSA-N 2 1 370.541 4.362 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)c1 ZINC000091310347 1125064624 /nfs/dbraw/zinc/06/46/24/1125064624.db2.gz ZUPWPJJEFASTEQ-KRWDZBQOSA-N 2 1 350.510 4.264 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619407 1125205035 /nfs/dbraw/zinc/20/50/35/1125205035.db2.gz AFBCYNRVSNONKR-KXBFYZLASA-N 2 1 369.896 4.261 20 0 FIADMP CCCCc1noc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821346 1125244630 /nfs/dbraw/zinc/24/46/30/1125244630.db2.gz GNKJZTDJQVFELW-QGZVFWFLSA-N 2 1 371.529 4.107 20 0 FIADMP CCCCc1noc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821346 1125244636 /nfs/dbraw/zinc/24/46/36/1125244636.db2.gz GNKJZTDJQVFELW-QGZVFWFLSA-N 2 1 371.529 4.107 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2ccccc2s1 ZINC000092821343 1125245256 /nfs/dbraw/zinc/24/52/56/1125245256.db2.gz XOFFCFUCYIMPEP-UHFFFAOYSA-N 2 1 366.534 4.430 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000093006877 1125257852 /nfs/dbraw/zinc/25/78/52/1125257852.db2.gz WGMUPLXUMINMCU-UHFFFAOYSA-N 2 1 355.551 4.365 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CCCCC1 ZINC000065889434 1125404031 /nfs/dbraw/zinc/40/40/31/1125404031.db2.gz GMPMXJGQKHJPEM-UHFFFAOYSA-N 2 1 358.448 4.372 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CCCCC1 ZINC000065889434 1125404087 /nfs/dbraw/zinc/40/40/87/1125404087.db2.gz GMPMXJGQKHJPEM-UHFFFAOYSA-N 2 1 358.448 4.372 20 0 FIADMP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376676 1125440358 /nfs/dbraw/zinc/44/03/58/1125440358.db2.gz QSEHEKCIXZMVOZ-UGSOOPFHSA-N 2 1 352.494 4.453 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224820 /nfs/dbraw/zinc/22/48/20/568224820.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224821 /nfs/dbraw/zinc/22/48/21/568224821.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224822 /nfs/dbraw/zinc/22/48/22/568224822.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224823 /nfs/dbraw/zinc/22/48/23/568224823.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 3 1 355.570 4.038 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224824 /nfs/dbraw/zinc/22/48/24/568224824.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 3 1 355.570 4.038 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000604418448 568276309 /nfs/dbraw/zinc/27/63/09/568276309.db2.gz ZNNKSJYPMXSBQL-RDTXWAMCSA-N 2 1 359.341 4.220 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000604418448 568276310 /nfs/dbraw/zinc/27/63/10/568276310.db2.gz ZNNKSJYPMXSBQL-RDTXWAMCSA-N 2 1 359.341 4.220 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000606156675 568676667 /nfs/dbraw/zinc/67/66/67/568676667.db2.gz KZJAHZIIJMOWGX-UHFFFAOYSA-N 2 1 374.326 4.452 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC000606156675 568676668 /nfs/dbraw/zinc/67/66/68/568676668.db2.gz KZJAHZIIJMOWGX-UHFFFAOYSA-N 2 1 374.326 4.452 20 0 FIADMP Cc1cc2ccccc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164955854 722019913 /nfs/dbraw/zinc/01/99/13/722019913.db2.gz POJIFCGYSLALCZ-UHFFFAOYSA-N 2 1 372.516 4.431 20 0 FIADMP Cc1cc2ccccc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164955854 722019916 /nfs/dbraw/zinc/01/99/16/722019916.db2.gz POJIFCGYSLALCZ-UHFFFAOYSA-N 2 1 372.516 4.431 20 0 FIADMP Cc1cc2[nH]ccc2c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164995526 722201909 /nfs/dbraw/zinc/20/19/09/722201909.db2.gz NYCROGQOYDDIRW-QFIPXVFZSA-N 2 1 364.468 4.255 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1Br ZINC000262356724 1125720889 /nfs/dbraw/zinc/72/08/89/1125720889.db2.gz VWGBZRBBQDORFU-JECHBYEQSA-N 2 1 361.283 4.253 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cccc(Cl)c1 ZINC000643546940 1079666656 /nfs/dbraw/zinc/66/66/56/1079666656.db2.gz WYTZBRSJJWRSHQ-YOEHRIQHSA-N 2 1 358.917 4.159 20 0 FIADMP COCc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC ZINC000183187183 1125773108 /nfs/dbraw/zinc/77/31/08/1125773108.db2.gz WYVYEGCWLRLGKD-JENIJYKNSA-N 2 1 360.542 4.145 20 0 FIADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356918 1080156105 /nfs/dbraw/zinc/15/61/05/1080156105.db2.gz CEBPAYKWXZOYPY-SFTDATJTSA-N 2 1 358.913 4.018 20 0 FIADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356918 1080156110 /nfs/dbraw/zinc/15/61/10/1080156110.db2.gz CEBPAYKWXZOYPY-SFTDATJTSA-N 2 1 358.913 4.018 20 0 FIADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000180576936 1080520405 /nfs/dbraw/zinc/52/04/05/1080520405.db2.gz BQURFVWVZFIMEL-RDPSFJRHSA-N 2 1 364.533 4.175 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1 ZINC000180642186 1080532136 /nfs/dbraw/zinc/53/21/36/1080532136.db2.gz VMMHKDSPCDHYHF-UUOWRZLLSA-N 2 1 360.501 4.257 20 0 FIADMP C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683347306 1080700029 /nfs/dbraw/zinc/70/00/29/1080700029.db2.gz OBRMVIJNJREULN-NTYOPAKOSA-N 2 1 358.570 4.470 20 0 FIADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000236938978 1080913405 /nfs/dbraw/zinc/91/34/05/1080913405.db2.gz VBCYJRDJXJKMIB-UHFFFAOYSA-N 2 1 360.542 4.371 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)CC1 ZINC001167255142 1080914074 /nfs/dbraw/zinc/91/40/74/1080914074.db2.gz DVYUJJPTSLZWKM-JBACZVJFSA-N 2 1 362.508 4.479 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826050 1080941264 /nfs/dbraw/zinc/94/12/64/1080941264.db2.gz MVBYCJQOGOUMRR-ZNEWLNCYSA-N 2 1 364.533 4.264 20 0 FIADMP Cc1ccc([C@@H](NC2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)c(C)c1 ZINC000655703819 1081125086 /nfs/dbraw/zinc/12/50/86/1081125086.db2.gz LURRSRRLPPAJLY-UPVQGACJSA-N 2 1 364.533 4.236 20 0 FIADMP Cc1cccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCC2)c1 ZINC000655709007 1081128403 /nfs/dbraw/zinc/12/84/03/1081128403.db2.gz VUTIZXCSHRWGPN-QFIPXVFZSA-N 2 1 356.554 4.040 20 0 FIADMP c1ccc(CC2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655753153 1081171761 /nfs/dbraw/zinc/17/17/61/1081171761.db2.gz WTCOQZYJIFZYJW-JOCHJYFZSA-N 2 1 356.554 4.023 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121414635 1081243663 /nfs/dbraw/zinc/24/36/63/1081243663.db2.gz KIEKLUHLJCMYNI-SJORKVTESA-N 2 1 371.529 4.052 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000655850519 1081258807 /nfs/dbraw/zinc/25/88/07/1081258807.db2.gz KBGOLUFVZYXTJR-POAQFYNOSA-N 2 1 358.526 4.152 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC001648828687 1081265716 /nfs/dbraw/zinc/26/57/16/1081265716.db2.gz PTEQMVHCNYRYRS-OUZREKFBSA-N 2 1 350.506 4.210 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289674 1081393420 /nfs/dbraw/zinc/39/34/20/1081393420.db2.gz SBDICILBKVBWMH-RCBQFDQVSA-N 2 1 363.299 4.473 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289674 1081393421 /nfs/dbraw/zinc/39/34/21/1081393421.db2.gz SBDICILBKVBWMH-RCBQFDQVSA-N 2 1 363.299 4.473 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000312640001 1081500383 /nfs/dbraw/zinc/50/03/83/1081500383.db2.gz IHBTXHZSRPHQLS-GOTSBHOMSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000312640001 1081500388 /nfs/dbraw/zinc/50/03/88/1081500388.db2.gz IHBTXHZSRPHQLS-GOTSBHOMSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000312640001 1081500392 /nfs/dbraw/zinc/50/03/92/1081500392.db2.gz IHBTXHZSRPHQLS-GOTSBHOMSA-N 2 1 357.501 4.189 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000580249899 1081779347 /nfs/dbraw/zinc/77/93/47/1081779347.db2.gz QQMVOXIYHWSYCV-TZIWHRDSSA-N 2 1 354.542 4.417 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000580249899 1081779352 /nfs/dbraw/zinc/77/93/52/1081779352.db2.gz QQMVOXIYHWSYCV-TZIWHRDSSA-N 2 1 354.542 4.417 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000580363660 1081900920 /nfs/dbraw/zinc/90/09/20/1081900920.db2.gz IIIYFFMEPSFBGB-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000580363660 1081900922 /nfs/dbraw/zinc/90/09/22/1081900922.db2.gz IIIYFFMEPSFBGB-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000580363660 1081900926 /nfs/dbraw/zinc/90/09/26/1081900926.db2.gz IIIYFFMEPSFBGB-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000580363660 1081900929 /nfs/dbraw/zinc/90/09/29/1081900929.db2.gz IIIYFFMEPSFBGB-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Cn1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc21 ZINC000471621621 1082166416 /nfs/dbraw/zinc/16/64/16/1082166416.db2.gz WBYSGPNGCZBBES-UHFFFAOYSA-N 2 1 365.496 4.114 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000580897936 1082211528 /nfs/dbraw/zinc/21/15/28/1082211528.db2.gz JJSSYXQLEGCUNG-GOSISDBHSA-N 2 1 366.553 4.438 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000580897942 1082211674 /nfs/dbraw/zinc/21/16/74/1082211674.db2.gz JJSSYXQLEGCUNG-SFHVURJKSA-N 2 1 366.553 4.438 20 0 FIADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548154097 1082296894 /nfs/dbraw/zinc/29/68/94/1082296894.db2.gz ZOCUBVIVUISAQG-JHBZICRXSA-N 2 1 370.512 4.402 20 0 FIADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101571 1082315161 /nfs/dbraw/zinc/31/51/61/1082315161.db2.gz MIZVAHPDPPJFQF-BXXSPATCSA-N 2 1 362.517 4.084 20 0 FIADMP C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157570 1082419719 /nfs/dbraw/zinc/41/97/19/1082419719.db2.gz PBBBBICGJHWWHK-MAUKXSAKSA-N 2 1 362.439 4.147 20 0 FIADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000430571404 1082499363 /nfs/dbraw/zinc/49/93/63/1082499363.db2.gz MEPDNMGDDUFMMF-UHFFFAOYSA-N 2 1 359.558 4.193 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1scnc1C1CC1 ZINC000581429535 1082572477 /nfs/dbraw/zinc/57/24/77/1082572477.db2.gz PQYOHUZEVONNKQ-MOPGFXCFSA-N 2 1 355.551 4.193 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000564456832 1082814526 /nfs/dbraw/zinc/81/45/26/1082814526.db2.gz BRCGSYYROIOQAT-UWJYYQICSA-N 2 1 366.484 4.075 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000564456832 1082814536 /nfs/dbraw/zinc/81/45/36/1082814536.db2.gz BRCGSYYROIOQAT-UWJYYQICSA-N 2 1 366.484 4.075 20 0 FIADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC001167483212 1082898122 /nfs/dbraw/zinc/89/81/22/1082898122.db2.gz LNUUGGIJRROCTQ-WMLDXEAASA-N 2 1 353.445 4.058 20 0 FIADMP Cc1ccncc1CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000581970795 1083116371 /nfs/dbraw/zinc/11/63/71/1083116371.db2.gz SXNOOEAXZVCTQA-UHFFFAOYSA-N 2 1 351.538 4.167 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000430815313 1083188526 /nfs/dbraw/zinc/18/85/26/1083188526.db2.gz PGOQBBQKIAADSL-AUSIDOKSSA-N 2 1 364.533 4.149 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000430815313 1083188529 /nfs/dbraw/zinc/18/85/29/1083188529.db2.gz PGOQBBQKIAADSL-AUSIDOKSSA-N 2 1 364.533 4.149 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815313 1083188533 /nfs/dbraw/zinc/18/85/33/1083188533.db2.gz PGOQBBQKIAADSL-AUSIDOKSSA-N 2 1 364.533 4.149 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815313 1083188540 /nfs/dbraw/zinc/18/85/40/1083188540.db2.gz PGOQBBQKIAADSL-AUSIDOKSSA-N 2 1 364.533 4.149 20 0 FIADMP Brc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000426325187 1083210258 /nfs/dbraw/zinc/21/02/58/1083210258.db2.gz UMODVYFKWBLHCM-JKSUJKDBSA-N 2 1 363.343 4.087 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000430950837 1083250735 /nfs/dbraw/zinc/25/07/35/1083250735.db2.gz JDQKSCBCRUAIJX-DEOSSOPVSA-N 2 1 369.597 4.192 20 0 FIADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCc2ccccc21 ZINC000430950837 1083250738 /nfs/dbraw/zinc/25/07/38/1083250738.db2.gz JDQKSCBCRUAIJX-DEOSSOPVSA-N 3 1 369.597 4.192 20 0 FIADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCc2ccccc21 ZINC000430950837 1083250741 /nfs/dbraw/zinc/25/07/41/1083250741.db2.gz JDQKSCBCRUAIJX-DEOSSOPVSA-N 3 1 369.597 4.192 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510754588 1083292083 /nfs/dbraw/zinc/29/20/83/1083292083.db2.gz ULFYJZKXKRRMJY-RDTXWAMCSA-N 2 1 351.332 4.146 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658319912 1083406200 /nfs/dbraw/zinc/40/62/00/1083406200.db2.gz JSEDNDRBDVPYFL-FGZHOGPDSA-N 2 1 356.554 4.084 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCCO[C@H]21 ZINC000658320203 1083406314 /nfs/dbraw/zinc/40/63/14/1083406314.db2.gz RDLCAJRDBZVETR-GXRSIYKFSA-N 2 1 368.565 4.082 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(C)n1 ZINC000658319529 1083406346 /nfs/dbraw/zinc/40/63/46/1083406346.db2.gz FIZIQTSLLZKOMY-UWJYYQICSA-N 2 1 364.537 4.046 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCOCC1 ZINC000658319914 1083406875 /nfs/dbraw/zinc/40/68/75/1083406875.db2.gz JSEDNDRBDVPYFL-YADHBBJMSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320352 1083408245 /nfs/dbraw/zinc/40/82/45/1083408245.db2.gz SPAGBBHRCUASOG-XXBNENTESA-N 2 1 364.533 4.132 20 0 FIADMP C[C@H](O)[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000658358939 1083429528 /nfs/dbraw/zinc/42/95/28/1083429528.db2.gz BBEDRGGYTHCJFC-DVVHHAQGSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@@H]([NH2+]CCc1ccc2ccccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483247 1083460099 /nfs/dbraw/zinc/46/00/99/1083460099.db2.gz LDZMCXSEAWMRSX-DENIHFKCSA-N 2 1 359.517 4.278 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1C ZINC000510932054 1083506326 /nfs/dbraw/zinc/50/63/26/1083506326.db2.gz UQWCELSWQSCAGS-GOSISDBHSA-N 2 1 364.331 4.345 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000510958425 1083536390 /nfs/dbraw/zinc/53/63/90/1083536390.db2.gz CDEDDXBMBYBPJI-SFHVURJKSA-N 2 1 374.282 4.316 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2)s1 ZINC000535807968 1083693753 /nfs/dbraw/zinc/69/37/53/1083693753.db2.gz KKAUJRGCUBGBLF-YZGWKJHDSA-N 2 1 374.525 4.238 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(F)cc2)s1 ZINC000535809146 1083697214 /nfs/dbraw/zinc/69/72/14/1083697214.db2.gz IPALIYXZJKTHTM-MISYRCLQSA-N 2 1 374.525 4.238 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000510985440 1083699481 /nfs/dbraw/zinc/69/94/81/1083699481.db2.gz MBXVHJSSMCOPOU-PERKRYKHSA-N 2 1 368.496 4.464 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000510985440 1083699489 /nfs/dbraw/zinc/69/94/89/1083699489.db2.gz MBXVHJSSMCOPOU-PERKRYKHSA-N 2 1 368.496 4.464 20 0 FIADMP Cc1cn2c(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)c(C)nc2s1 ZINC000236667693 1083900631 /nfs/dbraw/zinc/90/06/31/1083900631.db2.gz YWUSPMIONOWVAB-UHFFFAOYSA-N 2 1 356.539 4.143 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)CC1(C)C ZINC001648924661 1083931811 /nfs/dbraw/zinc/93/18/11/1083931811.db2.gz MAVIIYYKFCHCBL-GOSISDBHSA-N 2 1 358.526 4.080 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000511376067 1084055998 /nfs/dbraw/zinc/05/59/98/1084055998.db2.gz FQVIYLVNXYKDRF-FQEVSTJZSA-N 2 1 354.885 4.204 20 0 FIADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511020377 1084205521 /nfs/dbraw/zinc/20/55/21/1084205521.db2.gz XOBAAASKWNGHEQ-PKOBYXMFSA-N 2 1 358.476 4.398 20 0 FIADMP CCn1nc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000472080839 1084265141 /nfs/dbraw/zinc/26/51/41/1084265141.db2.gz UJUJCMSKYXSPBX-SEJPIABJSA-N 2 1 374.532 4.341 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000511038154 1084308653 /nfs/dbraw/zinc/30/86/53/1084308653.db2.gz NVPPVOLTAXCSGU-BVYCBKJFSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000511038154 1084308667 /nfs/dbraw/zinc/30/86/67/1084308667.db2.gz NVPPVOLTAXCSGU-BVYCBKJFSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cc2n(n1)CCC2 ZINC000414080499 1084464626 /nfs/dbraw/zinc/46/46/26/1084464626.db2.gz TWNFRVDKVDTGQS-SFHVURJKSA-N 2 1 352.526 4.056 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1 ZINC000511058723 1084515326 /nfs/dbraw/zinc/51/53/26/1084515326.db2.gz ZFSQOCSHZJSDQP-UHFFFAOYSA-N 2 1 373.585 4.111 20 0 FIADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)cc3OC(F)(F)F)C2)CC1 ZINC001143435597 1084605832 /nfs/dbraw/zinc/60/58/32/1084605832.db2.gz GGZGFLSDLQZDTK-UHFFFAOYSA-N 2 1 362.823 4.156 20 0 FIADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)cc3OC(F)(F)F)C2)CC1 ZINC001143435597 1084605838 /nfs/dbraw/zinc/60/58/38/1084605838.db2.gz GGZGFLSDLQZDTK-UHFFFAOYSA-N 2 1 362.823 4.156 20 0 FIADMP Cc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000613421248 1084712108 /nfs/dbraw/zinc/71/21/08/1084712108.db2.gz PWTCIESMIJRAJJ-UHFFFAOYSA-N 2 1 368.525 4.133 20 0 FIADMP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414167112 1084727451 /nfs/dbraw/zinc/72/74/51/1084727451.db2.gz FXESSFSJADIMPK-GGQGVQAJSA-N 2 1 350.481 4.467 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000414184557 1084762158 /nfs/dbraw/zinc/76/21/58/1084762158.db2.gz NZDMNHRDGNXDMQ-UWJYYQICSA-N 2 1 357.929 4.340 20 0 FIADMP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191421 1084775816 /nfs/dbraw/zinc/77/58/16/1084775816.db2.gz RWYKEDIKKRPDBM-HTAPYJJXSA-N 2 1 356.485 4.245 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558353 1084798242 /nfs/dbraw/zinc/79/82/42/1084798242.db2.gz MIMGUDWVEKPXQQ-HNAYVOBHSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558353 1084798248 /nfs/dbraw/zinc/79/82/48/1084798248.db2.gz MIMGUDWVEKPXQQ-HNAYVOBHSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558353 1084798254 /nfs/dbraw/zinc/79/82/54/1084798254.db2.gz MIMGUDWVEKPXQQ-HNAYVOBHSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558353 1084798264 /nfs/dbraw/zinc/79/82/64/1084798264.db2.gz MIMGUDWVEKPXQQ-HNAYVOBHSA-N 2 1 365.359 4.490 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(Cc2csc(Nc3ccccc3)n2)CC1 ZINC000613491641 1084823496 /nfs/dbraw/zinc/82/34/96/1084823496.db2.gz ZSUOPTBYQVTBGE-UHFFFAOYSA-N 2 1 372.582 4.253 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000613491641 1084823503 /nfs/dbraw/zinc/82/35/03/1084823503.db2.gz ZSUOPTBYQVTBGE-UHFFFAOYSA-N 2 1 372.582 4.253 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000613491641 1084823514 /nfs/dbraw/zinc/82/35/14/1084823514.db2.gz ZSUOPTBYQVTBGE-UHFFFAOYSA-N 2 1 372.582 4.253 20 0 FIADMP CCC(CC)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001167695531 1084943827 /nfs/dbraw/zinc/94/38/27/1084943827.db2.gz HDJNTLWDDOICPZ-UHFFFAOYSA-N 2 1 373.585 4.013 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167572893 1084985251 /nfs/dbraw/zinc/98/52/51/1084985251.db2.gz RBXYNYQPXKJPCL-URXFXBBRSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167572893 1084985253 /nfs/dbraw/zinc/98/52/53/1084985253.db2.gz RBXYNYQPXKJPCL-URXFXBBRSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572893 1084985257 /nfs/dbraw/zinc/98/52/57/1084985257.db2.gz RBXYNYQPXKJPCL-URXFXBBRSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572893 1084985262 /nfs/dbraw/zinc/98/52/62/1084985262.db2.gz RBXYNYQPXKJPCL-URXFXBBRSA-N 2 1 365.565 4.498 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000539821442 1085045719 /nfs/dbraw/zinc/04/57/19/1085045719.db2.gz UKZVOTMMSLJZBD-MPGHIAIKSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000539821442 1085045726 /nfs/dbraw/zinc/04/57/26/1085045726.db2.gz UKZVOTMMSLJZBD-MPGHIAIKSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000539821442 1085045730 /nfs/dbraw/zinc/04/57/30/1085045730.db2.gz UKZVOTMMSLJZBD-MPGHIAIKSA-N 2 1 353.348 4.357 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237167052 1085097331 /nfs/dbraw/zinc/09/73/31/1085097331.db2.gz JSJAHWJTQCCTFW-NRFANRHFSA-N 2 1 365.521 4.480 20 0 FIADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657462084 1085123145 /nfs/dbraw/zinc/12/31/45/1085123145.db2.gz CKHFXPKFQKGDLR-GGWAWNLDSA-N 2 1 362.945 4.411 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C4CCCC4)c3)cc2)C1 ZINC000657594577 1085659243 /nfs/dbraw/zinc/65/92/43/1085659243.db2.gz BVDMVLYVOVKIHK-DEOSSOPVSA-N 2 1 364.533 4.201 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)n1 ZINC000164501633 1085797802 /nfs/dbraw/zinc/79/78/02/1085797802.db2.gz GPOSJPJAGNEDMH-INIZCTEOSA-N 2 1 364.493 4.169 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C4CCCCC4)cc3)C2)C1 ZINC000652348695 1085924030 /nfs/dbraw/zinc/92/40/30/1085924030.db2.gz NVZVQCSMMNRVLT-YTFSRNRJSA-N 2 1 356.554 4.453 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000162150297 1085996010 /nfs/dbraw/zinc/99/60/10/1085996010.db2.gz QICLGOLIHFXVIH-DWXRJYCRSA-N 2 1 370.562 4.048 20 0 FIADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000153683985 1086048695 /nfs/dbraw/zinc/04/86/95/1086048695.db2.gz PVBNOOHNDYZMOU-CQSZACIVSA-N 2 1 366.440 4.129 20 0 FIADMP COc1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000583038618 1086062125 /nfs/dbraw/zinc/06/21/25/1086062125.db2.gz FDHSLQQMYJBNET-UHFFFAOYSA-N 2 1 358.913 4.145 20 0 FIADMP c1ccc(C(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000150762565 1086245873 /nfs/dbraw/zinc/24/58/73/1086245873.db2.gz ZCNZBOCWEMNTRM-NRFANRHFSA-N 2 1 364.533 4.210 20 0 FIADMP c1ccc(C(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC000150762565 1086245886 /nfs/dbraw/zinc/24/58/86/1086245886.db2.gz ZCNZBOCWEMNTRM-NRFANRHFSA-N 2 1 364.533 4.210 20 0 FIADMP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001167658180 1086375148 /nfs/dbraw/zinc/37/51/48/1086375148.db2.gz CIRPTGXYDUSHSU-HKUYNNGSSA-N 2 1 352.563 4.083 20 0 FIADMP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001167658180 1086375159 /nfs/dbraw/zinc/37/51/59/1086375159.db2.gz CIRPTGXYDUSHSU-HKUYNNGSSA-N 2 1 352.563 4.083 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001167658709 1086387341 /nfs/dbraw/zinc/38/73/41/1086387341.db2.gz KOWORSNPDQJQNL-XLIONFOSSA-N 2 1 364.574 4.083 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000511234445 1086392839 /nfs/dbraw/zinc/39/28/39/1086392839.db2.gz LWLKRVFTNXQOHE-GOSISDBHSA-N 2 1 364.489 4.338 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662389020 1086428887 /nfs/dbraw/zinc/42/88/87/1086428887.db2.gz WRCHBDFNNRWMCD-HNNXBMFYSA-N 2 1 369.534 4.021 20 0 FIADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)c1 ZINC000662399572 1086429111 /nfs/dbraw/zinc/42/91/11/1086429111.db2.gz WFTRICUEBUEVEK-QGZVFWFLSA-N 2 1 366.292 4.002 20 0 FIADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663344258 1086443298 /nfs/dbraw/zinc/44/32/98/1086443298.db2.gz QJLWNXWXZHIAEI-NRFANRHFSA-N 2 1 364.537 4.061 20 0 FIADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663344258 1086443306 /nfs/dbraw/zinc/44/33/06/1086443306.db2.gz QJLWNXWXZHIAEI-NRFANRHFSA-N 2 1 364.537 4.061 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000052210049 1086456909 /nfs/dbraw/zinc/45/69/09/1086456909.db2.gz MOEGMZDKJFENQF-IBGZPJMESA-N 2 1 372.475 4.183 20 0 FIADMP COC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467922 1086566956 /nfs/dbraw/zinc/56/69/56/1086566956.db2.gz IMPXYFNTQUSDCV-QFBILLFUSA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467922 1086566964 /nfs/dbraw/zinc/56/69/64/1086566964.db2.gz IMPXYFNTQUSDCV-QFBILLFUSA-N 2 1 370.459 4.105 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000663467922 1086566973 /nfs/dbraw/zinc/56/69/73/1086566973.db2.gz IMPXYFNTQUSDCV-QFBILLFUSA-N 2 1 370.459 4.105 20 0 FIADMP C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989782 1086583516 /nfs/dbraw/zinc/58/35/16/1086583516.db2.gz MEOUPPNUBBRVBC-OWQUAZCHSA-N 2 1 356.460 4.478 20 0 FIADMP C[NH+](C)Cc1cnc(CNC2(c3cccc(C(F)(F)F)c3)CCC2)s1 ZINC000512005340 1086633256 /nfs/dbraw/zinc/63/32/56/1086633256.db2.gz DCOVBBFEVTZASC-UHFFFAOYSA-N 2 1 369.456 4.393 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CCCO1 ZINC000432355964 1086655150 /nfs/dbraw/zinc/65/51/50/1086655150.db2.gz AMYOTLIXTKZROU-INIZCTEOSA-N 2 1 362.514 4.145 20 0 FIADMP CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512050374 1086708805 /nfs/dbraw/zinc/70/88/05/1086708805.db2.gz BYPQJUGCCZIQGS-INIZCTEOSA-N 2 1 363.596 4.482 20 0 FIADMP Cc1ccc([C@H]([NH2+]CCCN2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432409656 1086730887 /nfs/dbraw/zinc/73/08/87/1086730887.db2.gz HUFKTFOPZPZIEB-NZQKXSOJSA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432409656 1086730897 /nfs/dbraw/zinc/73/08/97/1086730897.db2.gz HUFKTFOPZPZIEB-NZQKXSOJSA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432409656 1086730900 /nfs/dbraw/zinc/73/09/00/1086730900.db2.gz HUFKTFOPZPZIEB-NZQKXSOJSA-N 2 1 352.522 4.175 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432418033 1086744376 /nfs/dbraw/zinc/74/43/76/1086744376.db2.gz YCRXEVQBDMFSSX-MXWWQKGMSA-N 2 1 351.332 4.017 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000432426090 1086754350 /nfs/dbraw/zinc/75/43/50/1086754350.db2.gz YACSNAJLEVTGSM-RXVVDRJESA-N 2 1 360.542 4.114 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)sc1Br ZINC000512098565 1086765913 /nfs/dbraw/zinc/76/59/13/1086765913.db2.gz ICUGBWSOECPCEN-GFCCVEGCSA-N 2 1 357.361 4.487 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC001167845200 1086772443 /nfs/dbraw/zinc/77/24/43/1086772443.db2.gz SGGXTPFNTASTRT-XZOQPEGZSA-N 2 1 352.522 4.000 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC001167845200 1086772447 /nfs/dbraw/zinc/77/24/47/1086772447.db2.gz SGGXTPFNTASTRT-XZOQPEGZSA-N 2 1 352.522 4.000 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)C1 ZINC000650722084 1086827312 /nfs/dbraw/zinc/82/73/12/1086827312.db2.gz KJIWZUBCGMBAHX-UEVCKROQSA-N 2 1 366.505 4.340 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773405 1086833164 /nfs/dbraw/zinc/83/31/64/1086833164.db2.gz RIDPVZYOPUJODQ-YLJYHZDGSA-N 2 1 353.485 4.174 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CSC(C)(C)C)CC2)cs1 ZINC000161782777 1086833551 /nfs/dbraw/zinc/83/35/51/1086833551.db2.gz UTMKEQKCPJPDKR-HNNXBMFYSA-N 2 1 369.644 4.427 20 0 FIADMP CC1CC[NH+](CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc(F)cc2)CC1 ZINC000583879549 1087008979 /nfs/dbraw/zinc/00/89/79/1087008979.db2.gz LHFYNMLCGNFYRQ-HSZRJFAPSA-N 3 1 373.560 4.230 20 0 FIADMP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000089621918 1087388555 /nfs/dbraw/zinc/38/85/55/1087388555.db2.gz ALQPVLZGGJZUOR-GOSISDBHSA-N 2 1 370.512 4.062 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1COc2ccccc21 ZINC000090845484 1087414692 /nfs/dbraw/zinc/41/46/92/1087414692.db2.gz LZTKUVGBBRCYFT-MXKPZRPRSA-N 2 1 350.506 4.194 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1COc2ccccc21 ZINC000090845484 1087414695 /nfs/dbraw/zinc/41/46/95/1087414695.db2.gz LZTKUVGBBRCYFT-MXKPZRPRSA-N 2 1 350.506 4.194 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000093079888 1087451801 /nfs/dbraw/zinc/45/18/01/1087451801.db2.gz CTPITWUSQKEGMP-CVDCTZTESA-N 2 1 374.532 4.230 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000093079888 1087451805 /nfs/dbraw/zinc/45/18/05/1087451805.db2.gz CTPITWUSQKEGMP-CVDCTZTESA-N 2 1 374.532 4.230 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CCOCC1 ZINC000657883216 1087527204 /nfs/dbraw/zinc/52/72/04/1087527204.db2.gz QXCZWBNDGABPAR-HKUYNNGSSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000685424210 1087564800 /nfs/dbraw/zinc/56/48/00/1087564800.db2.gz GAZKFGQRGVYXNV-BEFAXECRSA-N 2 1 370.459 4.042 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000685462790 1087575754 /nfs/dbraw/zinc/57/57/54/1087575754.db2.gz CZTBEVCPFXEGQK-UHFFFAOYSA-N 2 1 351.441 4.268 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000685462790 1087575759 /nfs/dbraw/zinc/57/57/59/1087575759.db2.gz CZTBEVCPFXEGQK-UHFFFAOYSA-N 2 1 351.441 4.268 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc4ccncc4s3)CC2)nc(C)[nH+]1 ZINC000657899356 1087593750 /nfs/dbraw/zinc/59/37/50/1087593750.db2.gz ACQKXDXEXCJMOU-AWEZNQCLSA-N 2 1 367.522 4.023 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685632434 1087649820 /nfs/dbraw/zinc/64/98/20/1087649820.db2.gz RPDJCFQRRXVXNE-IBGZPJMESA-N 2 1 354.542 4.099 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632434 1087649824 /nfs/dbraw/zinc/64/98/24/1087649824.db2.gz RPDJCFQRRXVXNE-IBGZPJMESA-N 2 1 354.542 4.099 20 0 FIADMP CC(C)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657936534 1087663291 /nfs/dbraw/zinc/66/32/91/1087663291.db2.gz FSECQCUQVLROKZ-QGZVFWFLSA-N 2 1 355.295 4.137 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658144496 1087736404 /nfs/dbraw/zinc/73/64/04/1087736404.db2.gz MHNLDRQTEAYSBZ-LEWJYISDSA-N 2 1 358.913 4.148 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)[C@H](C)C1 ZINC000658186758 1087774308 /nfs/dbraw/zinc/77/43/08/1087774308.db2.gz CQPRGSSPLIHKML-DQYPLSBCSA-N 2 1 369.372 4.057 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)[C@H](C)C1 ZINC000658186758 1087774315 /nfs/dbraw/zinc/77/43/15/1087774315.db2.gz CQPRGSSPLIHKML-DQYPLSBCSA-N 2 1 369.372 4.057 20 0 FIADMP CC[C@H]1C[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@@H]1[NH3+] ZINC000647934498 1087788594 /nfs/dbraw/zinc/78/85/94/1087788594.db2.gz HEFORBIVQXWKOL-KXBFYZLASA-N 2 1 365.477 4.063 20 0 FIADMP CC[C@H]1C[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@@H]1[NH3+] ZINC000647934498 1087788610 /nfs/dbraw/zinc/78/86/10/1087788610.db2.gz HEFORBIVQXWKOL-KXBFYZLASA-N 2 1 365.477 4.063 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)c(Cl)c1 ZINC000424318747 1087916245 /nfs/dbraw/zinc/91/62/45/1087916245.db2.gz RSDWCYFJOHLWRR-HNNXBMFYSA-N 2 1 359.901 4.372 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000424317915 1087917646 /nfs/dbraw/zinc/91/76/46/1087917646.db2.gz RGSRURMKEYTDFJ-QINHECLXSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000424317915 1087917650 /nfs/dbraw/zinc/91/76/50/1087917650.db2.gz RGSRURMKEYTDFJ-QINHECLXSA-N 2 1 368.949 4.136 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424373451 1087962557 /nfs/dbraw/zinc/96/25/57/1087962557.db2.gz GXCHFHZDOMNSHZ-SFHVURJKSA-N 2 1 350.506 4.326 20 0 FIADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000423233538 1088077154 /nfs/dbraw/zinc/07/71/54/1088077154.db2.gz DQCXVFRYTRLTEQ-DNVJHFABSA-N 2 1 351.538 4.235 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@H]1c1ccccc1 ZINC000423443168 1088240505 /nfs/dbraw/zinc/24/05/05/1088240505.db2.gz QHEDCPQYFDJWCR-TYPHKJRUSA-N 2 1 365.521 4.296 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@H]1c1ccccc1 ZINC000423443168 1088240523 /nfs/dbraw/zinc/24/05/23/1088240523.db2.gz QHEDCPQYFDJWCR-TYPHKJRUSA-N 2 1 365.521 4.296 20 0 FIADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC000414818978 1088284277 /nfs/dbraw/zinc/28/42/77/1088284277.db2.gz XKBQXYCKSWFXSY-JTQLQIEISA-N 2 1 355.226 4.037 20 0 FIADMP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000513897368 1088508710 /nfs/dbraw/zinc/50/87/10/1088508710.db2.gz POGJCGBPDAIPNZ-CQSZACIVSA-N 2 1 362.518 4.069 20 0 FIADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504043 1088685899 /nfs/dbraw/zinc/68/58/99/1088685899.db2.gz RTALGWKULMKDBV-UWJYYQICSA-N 2 1 355.913 4.176 20 0 FIADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504043 1088685910 /nfs/dbraw/zinc/68/59/10/1088685910.db2.gz RTALGWKULMKDBV-UWJYYQICSA-N 2 1 355.913 4.176 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000514082569 1088722737 /nfs/dbraw/zinc/72/27/37/1088722737.db2.gz HSRFRUJKJLFKIV-UHFFFAOYSA-N 2 1 354.542 4.051 20 0 FIADMP COCc1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000514093340 1088742985 /nfs/dbraw/zinc/74/29/85/1088742985.db2.gz JAJRGIYZKPRTPY-UHFFFAOYSA-N 2 1 352.522 4.366 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434544861 1088769823 /nfs/dbraw/zinc/76/98/23/1088769823.db2.gz PKMNJNTXAQVXOM-UHFFFAOYSA-N 2 1 352.309 4.224 20 0 FIADMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc2n1 ZINC000434661677 1088924518 /nfs/dbraw/zinc/92/45/18/1088924518.db2.gz JMIHZMACBMFWEF-UHFFFAOYSA-N 2 1 360.505 4.456 20 0 FIADMP CC(C)(C)Oc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000434667283 1088933140 /nfs/dbraw/zinc/93/31/40/1088933140.db2.gz UWUWYHLVPBGFPR-UHFFFAOYSA-N 2 1 368.525 4.171 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514243610 1088938112 /nfs/dbraw/zinc/93/81/12/1088938112.db2.gz VMNVBXXQXYFPQI-UHFFFAOYSA-N 2 1 350.384 4.317 20 0 FIADMP C[N@H+]1CC[C@]2(CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117393 1089005402 /nfs/dbraw/zinc/00/54/02/1089005402.db2.gz CPOPSKWHBYDQPI-QFIPXVFZSA-N 2 1 356.460 4.124 20 0 FIADMP C[NH+]1CC[C@]2(CC[N@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117393 1089005409 /nfs/dbraw/zinc/00/54/09/1089005409.db2.gz CPOPSKWHBYDQPI-QFIPXVFZSA-N 2 1 356.460 4.124 20 0 FIADMP C[NH+]1CC[C@]2(CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117393 1089005424 /nfs/dbraw/zinc/00/54/24/1089005424.db2.gz CPOPSKWHBYDQPI-QFIPXVFZSA-N 2 1 356.460 4.124 20 0 FIADMP [NH3+]CCC[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1ccccc1 ZINC000415060018 1089095357 /nfs/dbraw/zinc/09/53/57/1089095357.db2.gz VVOHDULUGWWOFH-HXUWFJFHSA-N 2 1 367.518 4.292 20 0 FIADMP Brc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000415090975 1089155643 /nfs/dbraw/zinc/15/56/43/1089155643.db2.gz YHLPJDJVOJMYCE-DZGCQCFKSA-N 2 1 351.313 4.094 20 0 FIADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415111538 1089166450 /nfs/dbraw/zinc/16/64/50/1089166450.db2.gz CGQYOKCWZTYRGB-ZTNFWEORSA-N 2 1 373.338 4.463 20 0 FIADMP c1[nH+]c(C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)n2c1CCCC2 ZINC000435062039 1089251771 /nfs/dbraw/zinc/25/17/71/1089251771.db2.gz WJPNAAYDUCEGLK-UHFFFAOYSA-N 2 1 365.521 4.388 20 0 FIADMP CCOC[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235837 1089313795 /nfs/dbraw/zinc/31/37/95/1089313795.db2.gz OYWGTUJRHNWNGU-SIOWJKJVSA-N 2 1 350.934 4.269 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(-c2ccnn2C)c1 ZINC000549250700 1089417113 /nfs/dbraw/zinc/41/71/13/1089417113.db2.gz HKSBWHPAMPILAZ-LJQANCHMSA-N 2 1 354.542 4.140 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCC3CCOCC3)C2)s1 ZINC000514865069 1089555229 /nfs/dbraw/zinc/55/52/29/1089555229.db2.gz FKWPVLIWYXJXTQ-LJQANCHMSA-N 2 1 350.572 4.017 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCC3CCOCC3)C2)s1 ZINC000514865069 1089555241 /nfs/dbraw/zinc/55/52/41/1089555241.db2.gz FKWPVLIWYXJXTQ-LJQANCHMSA-N 2 1 350.572 4.017 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCC3CCOCC3)C2)s1 ZINC000514865069 1089555252 /nfs/dbraw/zinc/55/52/52/1089555252.db2.gz FKWPVLIWYXJXTQ-LJQANCHMSA-N 2 1 350.572 4.017 20 0 FIADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435388569 1089595602 /nfs/dbraw/zinc/59/56/02/1089595602.db2.gz GNRKNYBHRZAORW-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435388569 1089595613 /nfs/dbraw/zinc/59/56/13/1089595613.db2.gz GNRKNYBHRZAORW-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980292 1089726839 /nfs/dbraw/zinc/72/68/39/1089726839.db2.gz MQDDGMXLLGFDIG-JPYJTQIMSA-N 2 1 350.506 4.184 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001625891500 1089768620 /nfs/dbraw/zinc/76/86/20/1089768620.db2.gz KMCYONFIJLDWLX-SFHVURJKSA-N 2 1 357.542 4.264 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000236806946 1089965157 /nfs/dbraw/zinc/96/51/57/1089965157.db2.gz AXRWWUJUPPKNLF-ZDUSSCGKSA-N 2 1 355.309 4.091 20 0 FIADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000584552518 1090085547 /nfs/dbraw/zinc/08/55/47/1090085547.db2.gz GIFGFTSBNFSMCH-HXUWFJFHSA-N 2 1 356.485 4.452 20 0 FIADMP CCC[N@H+]1CC[C@@H](CNCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000236817112 1090265039 /nfs/dbraw/zinc/26/50/39/1090265039.db2.gz RVGMKBHMPIOAMS-HNNXBMFYSA-N 2 1 355.507 4.378 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000236817112 1090265045 /nfs/dbraw/zinc/26/50/45/1090265045.db2.gz RVGMKBHMPIOAMS-HNNXBMFYSA-N 2 1 355.507 4.378 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000236817112 1090265055 /nfs/dbraw/zinc/26/50/55/1090265055.db2.gz RVGMKBHMPIOAMS-HNNXBMFYSA-N 2 1 355.507 4.378 20 0 FIADMP CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000312148360 1090320393 /nfs/dbraw/zinc/32/03/93/1090320393.db2.gz DCBKYDQGTJQECS-GGPKGHCWSA-N 2 1 371.525 4.237 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2c(C)noc2C)cc1C[NH+]1CCCCC1 ZINC000182605059 1090363951 /nfs/dbraw/zinc/36/39/51/1090363951.db2.gz URNJSXWXQKTSHH-HNNXBMFYSA-N 2 1 357.498 4.137 20 0 FIADMP CC[C@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000511555975 1090396521 /nfs/dbraw/zinc/39/65/21/1090396521.db2.gz DUQUFJAXEHABQP-JOCHJYFZSA-N 2 1 373.585 4.085 20 0 FIADMP Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185752739 1090571934 /nfs/dbraw/zinc/57/19/34/1090571934.db2.gz GTPAKUZUSRZCSJ-ZWKOTPCHSA-N 2 1 368.521 4.152 20 0 FIADMP Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000185752739 1090571941 /nfs/dbraw/zinc/57/19/41/1090571941.db2.gz GTPAKUZUSRZCSJ-ZWKOTPCHSA-N 2 1 368.521 4.152 20 0 FIADMP c1c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)onc1C1CC1 ZINC000660151421 1090658308 /nfs/dbraw/zinc/65/83/08/1090658308.db2.gz ZTIBYAWRKIODPI-UHFFFAOYSA-N 2 1 351.494 4.040 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312429935 1090718640 /nfs/dbraw/zinc/71/86/40/1090718640.db2.gz IBQRLTRSVLGVAN-FDDCHVKYSA-N 2 1 365.521 4.208 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc2O1 ZINC000236691890 1090725311 /nfs/dbraw/zinc/72/53/11/1090725311.db2.gz XPHOWNALHVJJIX-UHFFFAOYSA-N 2 1 350.506 4.154 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914874 1090992888 /nfs/dbraw/zinc/99/28/88/1090992888.db2.gz BIDGKZCZPIZSFK-BPQIPLTHSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417914874 1090992891 /nfs/dbraw/zinc/99/28/91/1090992891.db2.gz BIDGKZCZPIZSFK-BPQIPLTHSA-N 2 1 370.459 4.245 20 0 FIADMP Cc1csc([C@@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121853 1091268530 /nfs/dbraw/zinc/26/85/30/1091268530.db2.gz MICSLDLWLNYRGA-QFBILLFUSA-N 2 1 355.551 4.342 20 0 FIADMP Cc1csc([C@@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121853 1091268534 /nfs/dbraw/zinc/26/85/34/1091268534.db2.gz MICSLDLWLNYRGA-QFBILLFUSA-N 2 1 355.551 4.342 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511766246 1091651543 /nfs/dbraw/zinc/65/15/43/1091651543.db2.gz DGSYISHTLVXBEG-CEXWTWQISA-N 2 1 357.542 4.262 20 0 FIADMP Clc1sc(C[NH2+]CCC[NH+]2CCCCC2)cc1Br ZINC000227774394 1091863863 /nfs/dbraw/zinc/86/38/63/1091863863.db2.gz AEHBMXKODQTNKN-UHFFFAOYSA-N 2 1 351.741 4.130 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000467850532 1091978390 /nfs/dbraw/zinc/97/83/90/1091978390.db2.gz JJWVRGJORIOIJO-MDZRGWNJSA-N 2 1 372.475 4.493 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000512266746 1091984683 /nfs/dbraw/zinc/98/46/83/1091984683.db2.gz FNEPSJVNZFUBDX-UHFFFAOYSA-N 2 1 360.521 4.139 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000512266746 1091984690 /nfs/dbraw/zinc/98/46/90/1091984690.db2.gz FNEPSJVNZFUBDX-UHFFFAOYSA-N 2 1 360.521 4.139 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512317912 1092028887 /nfs/dbraw/zinc/02/88/87/1092028887.db2.gz HDSVJUKWNIPNKW-NLWGTHIKSA-N 2 1 352.526 4.176 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432790970 1092371724 /nfs/dbraw/zinc/37/17/24/1092371724.db2.gz DXLOYLAOPOOCAB-SFHVURJKSA-N 2 1 360.933 4.059 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432790970 1092371734 /nfs/dbraw/zinc/37/17/34/1092371734.db2.gz DXLOYLAOPOOCAB-SFHVURJKSA-N 2 1 360.933 4.059 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168012813 1092377258 /nfs/dbraw/zinc/37/72/58/1092377258.db2.gz FLXSPRXOSAYNJJ-RMFSNUHRSA-N 2 1 353.510 4.012 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168012813 1092377284 /nfs/dbraw/zinc/37/72/84/1092377284.db2.gz FLXSPRXOSAYNJJ-RMFSNUHRSA-N 2 1 353.510 4.012 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000665271998 1092407907 /nfs/dbraw/zinc/40/79/07/1092407907.db2.gz WHUDIIQLKRQAQH-QPXUXIHVSA-N 2 1 361.533 4.289 20 0 FIADMP COCCC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Cl)cc1 ZINC000512495691 1092585536 /nfs/dbraw/zinc/58/55/36/1092585536.db2.gz CTMUIUASURVBED-KRWDZBQOSA-N 2 1 361.917 4.101 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000521312891 1092635959 /nfs/dbraw/zinc/63/59/59/1092635959.db2.gz JAFJTTOFWLCFTG-LAUBAEHRSA-N 2 1 364.518 4.254 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000521312888 1092635996 /nfs/dbraw/zinc/63/59/96/1092635996.db2.gz JAFJTTOFWLCFTG-DYESRHJHSA-N 2 1 364.518 4.254 20 0 FIADMP CN(Cc1c(-c2ccccc2)nc2ccccn21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512542185 1092690341 /nfs/dbraw/zinc/69/03/41/1092690341.db2.gz LWFNMLGEWJFZKX-YOFSQIOKSA-N 2 1 360.505 4.058 20 0 FIADMP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542185 1092690348 /nfs/dbraw/zinc/69/03/48/1092690348.db2.gz LWFNMLGEWJFZKX-YOFSQIOKSA-N 2 1 360.505 4.058 20 0 FIADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542185 1092690351 /nfs/dbraw/zinc/69/03/51/1092690351.db2.gz LWFNMLGEWJFZKX-YOFSQIOKSA-N 2 1 360.505 4.058 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000549711148 1092711071 /nfs/dbraw/zinc/71/10/71/1092711071.db2.gz JSNDUFCGBSOKLZ-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP COCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000549733400 1092731099 /nfs/dbraw/zinc/73/10/99/1092731099.db2.gz GGFASNTYVPNQJQ-UHFFFAOYSA-N 2 1 364.533 4.321 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C(F)F)CC3)CC2)cs1 ZINC000442782175 1092759720 /nfs/dbraw/zinc/75/97/20/1092759720.db2.gz NWVSDAZQOPZXFG-UHFFFAOYSA-N 2 1 371.541 4.331 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1F ZINC000442791398 1092769019 /nfs/dbraw/zinc/76/90/19/1092769019.db2.gz JLMDJXLKTQNMTD-MRXNPFEDSA-N 2 1 360.436 4.058 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000521820859 1092939525 /nfs/dbraw/zinc/93/95/25/1092939525.db2.gz JQMAIFWZPDFJHP-LJQANCHMSA-N 2 1 353.510 4.015 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000521820859 1092939528 /nfs/dbraw/zinc/93/95/28/1092939528.db2.gz JQMAIFWZPDFJHP-LJQANCHMSA-N 2 1 353.510 4.015 20 0 FIADMP CCN(CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)CCC(F)(F)F ZINC000521941903 1092990252 /nfs/dbraw/zinc/99/02/52/1092990252.db2.gz OVTWYESVUSBXQV-OAHLLOKOSA-N 2 1 368.447 4.106 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205260 1092990854 /nfs/dbraw/zinc/99/08/54/1092990854.db2.gz SAQKVCYNIGHMTD-NDXORKPFSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205260 1092990859 /nfs/dbraw/zinc/99/08/59/1092990859.db2.gz SAQKVCYNIGHMTD-NDXORKPFSA-N 2 1 354.469 4.150 20 0 FIADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168016354 1093085832 /nfs/dbraw/zinc/08/58/32/1093085832.db2.gz VMASDTDKAGLVSB-OPMZPASUSA-N 2 1 366.505 4.004 20 0 FIADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168016354 1093085842 /nfs/dbraw/zinc/08/58/42/1093085842.db2.gz VMASDTDKAGLVSB-OPMZPASUSA-N 2 1 366.505 4.004 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000433041360 1093143526 /nfs/dbraw/zinc/14/35/26/1093143526.db2.gz WCDYOOZJHPOPLF-UHFFFAOYSA-N 2 1 367.884 4.004 20 0 FIADMP CC(C)(C)c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000433055086 1093166913 /nfs/dbraw/zinc/16/69/13/1093166913.db2.gz DFEQGUZLYFGRLZ-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP CC(C)(C)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000433055086 1093166918 /nfs/dbraw/zinc/16/69/18/1093166918.db2.gz DFEQGUZLYFGRLZ-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000474064655 1093177160 /nfs/dbraw/zinc/17/71/60/1093177160.db2.gz JQBXJZZURVAXPW-OKKOYFSCSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000474064655 1093177163 /nfs/dbraw/zinc/17/71/63/1093177163.db2.gz JQBXJZZURVAXPW-OKKOYFSCSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000474073799 1093188467 /nfs/dbraw/zinc/18/84/67/1093188467.db2.gz PDXVQXKOHHFRJK-QGZVFWFLSA-N 2 1 350.497 4.497 20 0 FIADMP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168020122 1093198454 /nfs/dbraw/zinc/19/84/54/1093198454.db2.gz KQKCFZOIYVEUAJ-JHDGKUDLSA-N 2 1 351.538 4.354 20 0 FIADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443599403 1093308399 /nfs/dbraw/zinc/30/83/99/1093308399.db2.gz JXVHUVPYBKYVGH-MRXNPFEDSA-N 2 1 374.554 4.447 20 0 FIADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512772583 1093315685 /nfs/dbraw/zinc/31/56/85/1093315685.db2.gz CDJPORCYRWCUKK-JXFKEZNVSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512772583 1093315690 /nfs/dbraw/zinc/31/56/90/1093315690.db2.gz CDJPORCYRWCUKK-JXFKEZNVSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000512772583 1093315699 /nfs/dbraw/zinc/31/56/99/1093315699.db2.gz CDJPORCYRWCUKK-JXFKEZNVSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000512772583 1093315704 /nfs/dbraw/zinc/31/57/04/1093315704.db2.gz CDJPORCYRWCUKK-JXFKEZNVSA-N 2 1 355.913 4.337 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469789833 1093344843 /nfs/dbraw/zinc/34/48/43/1093344843.db2.gz ZXBVJITWILYULD-LPHOPBHVSA-N 2 1 370.990 4.159 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000191469647 1093395506 /nfs/dbraw/zinc/39/55/06/1093395506.db2.gz NKDAUSIIJDEGHG-UHFFFAOYSA-N 2 1 365.525 4.160 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000191469647 1093395513 /nfs/dbraw/zinc/39/55/13/1093395513.db2.gz NKDAUSIIJDEGHG-UHFFFAOYSA-N 2 1 365.525 4.160 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000512847163 1093446591 /nfs/dbraw/zinc/44/65/91/1093446591.db2.gz UBRAOZIGCJMOQP-IBGZPJMESA-N 2 1 354.542 4.350 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000512847163 1093446596 /nfs/dbraw/zinc/44/65/96/1093446596.db2.gz UBRAOZIGCJMOQP-IBGZPJMESA-N 2 1 354.542 4.350 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000512847164 1093446811 /nfs/dbraw/zinc/44/68/11/1093446811.db2.gz UBRAOZIGCJMOQP-LJQANCHMSA-N 2 1 354.542 4.350 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000512847164 1093446817 /nfs/dbraw/zinc/44/68/17/1093446817.db2.gz UBRAOZIGCJMOQP-LJQANCHMSA-N 2 1 354.542 4.350 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000389160270 1093479370 /nfs/dbraw/zinc/47/93/70/1093479370.db2.gz YNNLUGBLTUQPNA-XZOQPEGZSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000389160270 1093479374 /nfs/dbraw/zinc/47/93/74/1093479374.db2.gz YNNLUGBLTUQPNA-XZOQPEGZSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCCCC4CCOCC4)C[C@@H]3C2)cc1 ZINC000389160270 1093479378 /nfs/dbraw/zinc/47/93/78/1093479378.db2.gz YNNLUGBLTUQPNA-XZOQPEGZSA-N 2 1 356.554 4.037 20 0 FIADMP COc1ccc(Oc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2)cc1 ZINC000544183380 1093511871 /nfs/dbraw/zinc/51/18/71/1093511871.db2.gz FDUVRURZVFMUFQ-SFHVURJKSA-N 2 1 352.478 4.061 20 0 FIADMP COc1cc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC001168028639 1093539258 /nfs/dbraw/zinc/53/92/58/1093539258.db2.gz POOWSMOBZIQGFB-IRXDYDNUSA-N 2 1 356.485 4.366 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031738 1093654764 /nfs/dbraw/zinc/65/47/64/1093654764.db2.gz DSOXRJBOHYDKNL-HATOLVCRSA-N 2 1 351.538 4.434 20 0 FIADMP C[C@@H]1C[C@@H](NCc2ccc3oc(=O)[nH]c3c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033133 1093703856 /nfs/dbraw/zinc/70/38/56/1093703856.db2.gz JWWSWNRCRLNMSX-HGKCTWBKSA-N 2 1 365.477 4.065 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033133 1093703869 /nfs/dbraw/zinc/70/38/69/1093703869.db2.gz JWWSWNRCRLNMSX-HGKCTWBKSA-N 2 1 365.477 4.065 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2(CC3CC3)CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033384 1093714787 /nfs/dbraw/zinc/71/47/87/1093714787.db2.gz KZFUCQKWWILEJX-HATOLVCRSA-N 2 1 356.554 4.367 20 0 FIADMP CCC[N@H+]1CC[C@@H](CNCc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000067222807 1093719038 /nfs/dbraw/zinc/71/90/38/1093719038.db2.gz ZVICVJOSTLCHSE-SFHVURJKSA-N 2 1 374.960 4.023 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000067222807 1093719042 /nfs/dbraw/zinc/71/90/42/1093719042.db2.gz ZVICVJOSTLCHSE-SFHVURJKSA-N 2 1 374.960 4.023 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000067222807 1093719049 /nfs/dbraw/zinc/71/90/49/1093719049.db2.gz ZVICVJOSTLCHSE-SFHVURJKSA-N 2 1 374.960 4.023 20 0 FIADMP CCc1cccc(Cl)c1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000474366165 1093720404 /nfs/dbraw/zinc/72/04/04/1093720404.db2.gz AEQDNGPRBISMNS-UHFFFAOYSA-N 2 1 358.917 4.068 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000052209860 1093768437 /nfs/dbraw/zinc/76/84/37/1093768437.db2.gz YWKCGAWPQZFXOU-UHFFFAOYSA-N 2 1 364.484 4.375 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000052209860 1093768445 /nfs/dbraw/zinc/76/84/45/1093768445.db2.gz YWKCGAWPQZFXOU-UHFFFAOYSA-N 2 1 364.484 4.375 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(F)cc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035088 1093792898 /nfs/dbraw/zinc/79/28/98/1093792898.db2.gz SNTIUPQRAOWIGE-TXKCWOHGSA-N 2 1 352.497 4.324 20 0 FIADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000614387773 1093805293 /nfs/dbraw/zinc/80/52/93/1093805293.db2.gz LTGOXWFCXFKBNU-UHFFFAOYSA-N 2 1 360.505 4.152 20 0 FIADMP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)cn1 ZINC000474468934 1093806031 /nfs/dbraw/zinc/80/60/31/1093806031.db2.gz FRQJFSCPWAICBZ-HXUWFJFHSA-N 2 1 351.538 4.487 20 0 FIADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000474466925 1093813298 /nfs/dbraw/zinc/81/32/98/1093813298.db2.gz BKXVWPBLHUPFNT-IWQHBPENSA-N 2 1 372.553 4.128 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000513665161 1094272586 /nfs/dbraw/zinc/27/25/86/1094272586.db2.gz BWTYDDJTDISBBN-UHFFFAOYSA-N 3 1 357.586 4.282 20 0 FIADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000513665161 1094272589 /nfs/dbraw/zinc/27/25/89/1094272589.db2.gz BWTYDDJTDISBBN-UHFFFAOYSA-N 2 1 357.586 4.282 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000513665161 1094272592 /nfs/dbraw/zinc/27/25/92/1094272592.db2.gz BWTYDDJTDISBBN-UHFFFAOYSA-N 2 1 357.586 4.282 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3O2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036729 1094296427 /nfs/dbraw/zinc/29/64/27/1094296427.db2.gz WSGFMFAQRJFOAW-IYRWYFENSA-N 2 1 364.533 4.411 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)o1 ZINC000513696856 1094362658 /nfs/dbraw/zinc/36/26/58/1094362658.db2.gz FIFPJRSCQCZEAF-MQSCRBSSSA-N 2 1 367.537 4.114 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c1 ZINC000474623391 1094454367 /nfs/dbraw/zinc/45/43/67/1094454367.db2.gz PISPAFHXPKGYJR-UHFFFAOYSA-N 2 1 366.484 4.141 20 0 FIADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396323 1094481238 /nfs/dbraw/zinc/48/12/38/1094481238.db2.gz NEGUIXPVNRZKHO-APWZRJJASA-N 2 1 361.574 4.094 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397400 1094481585 /nfs/dbraw/zinc/48/15/85/1094481585.db2.gz OUONXUJLUGOKOV-PKOBYXMFSA-N 2 1 361.574 4.401 20 0 FIADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000501075981 1094493869 /nfs/dbraw/zinc/49/38/69/1094493869.db2.gz IXVSOLURMMSURX-UHFFFAOYSA-N 2 1 372.384 4.231 20 0 FIADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000467295216 1094569753 /nfs/dbraw/zinc/56/97/53/1094569753.db2.gz KNHNSYNGASRXCU-OAQYLSRUSA-N 2 1 356.485 4.452 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000453405421 1094575560 /nfs/dbraw/zinc/57/55/60/1094575560.db2.gz SLMZJBPADPCBGG-SAWYMBPVSA-N 2 1 356.485 4.190 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000453405421 1094575567 /nfs/dbraw/zinc/57/55/67/1094575567.db2.gz SLMZJBPADPCBGG-SAWYMBPVSA-N 2 1 356.485 4.190 20 0 FIADMP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000474815322 1094661175 /nfs/dbraw/zinc/66/11/75/1094661175.db2.gz FHJAKBYWFABVLU-IFMALSPDSA-N 2 1 356.510 4.206 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000474894846 1094864467 /nfs/dbraw/zinc/86/44/67/1094864467.db2.gz JVBTVIHNDRNZFG-UHFFFAOYSA-N 2 1 360.542 4.128 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420321413 1094881653 /nfs/dbraw/zinc/88/16/53/1094881653.db2.gz RFVRABUNELJADC-MOPGFXCFSA-N 2 1 354.542 4.186 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420366064 1094901579 /nfs/dbraw/zinc/90/15/79/1094901579.db2.gz JFCOOHGCLKYMAQ-MBSDFSHPSA-N 2 1 363.505 4.075 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420366064 1094901583 /nfs/dbraw/zinc/90/15/83/1094901583.db2.gz JFCOOHGCLKYMAQ-MBSDFSHPSA-N 2 1 363.505 4.075 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000501817300 1094934386 /nfs/dbraw/zinc/93/43/86/1094934386.db2.gz SJCPKLUNSCIYAX-INIZCTEOSA-N 2 1 354.485 4.096 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474943874 1094939046 /nfs/dbraw/zinc/93/90/46/1094939046.db2.gz OEHLVGQEIDGUOR-HYFFOGBASA-N 2 1 372.940 4.188 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420958752 1095199762 /nfs/dbraw/zinc/19/97/62/1095199762.db2.gz FFJQWSZGZDTYMM-KRWDZBQOSA-N 2 1 356.535 4.092 20 0 FIADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001205009540 1095256625 /nfs/dbraw/zinc/25/66/25/1095256625.db2.gz WJGQBHQGBVSCGZ-GFCCVEGCSA-N 2 1 353.329 4.095 20 0 FIADMP C[N@H+](Cc1cccc(OCc2ccc(F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000513742448 1095329649 /nfs/dbraw/zinc/32/96/49/1095329649.db2.gz XOYOYPPMSUWAOL-UHFFFAOYSA-N 2 1 356.485 4.178 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000280953141 1095462895 /nfs/dbraw/zinc/46/28/95/1095462895.db2.gz IWLADRHVKYSOJF-JYAXOCDNSA-N 2 1 374.594 4.074 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000428327489 1095720508 /nfs/dbraw/zinc/72/05/08/1095720508.db2.gz TZCVDFQCPMPJQK-JKSUJKDBSA-N 2 1 352.469 4.339 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000428327489 1095720519 /nfs/dbraw/zinc/72/05/19/1095720519.db2.gz TZCVDFQCPMPJQK-JKSUJKDBSA-N 2 1 352.469 4.339 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709340 1095747640 /nfs/dbraw/zinc/74/76/40/1095747640.db2.gz WQSFRXCGLWHSJF-CTNGQTDRSA-N 2 1 366.553 4.213 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709340 1095747656 /nfs/dbraw/zinc/74/76/56/1095747656.db2.gz WQSFRXCGLWHSJF-CTNGQTDRSA-N 2 1 366.553 4.213 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168051036 1095769198 /nfs/dbraw/zinc/76/91/98/1095769198.db2.gz FNWXLIYUFFVCMZ-NHCUHLMSSA-N 3 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[N@H+](C)C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168051036 1095769206 /nfs/dbraw/zinc/76/92/06/1095769206.db2.gz FNWXLIYUFFVCMZ-NHCUHLMSSA-N 2 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168051036 1095769211 /nfs/dbraw/zinc/76/92/11/1095769211.db2.gz FNWXLIYUFFVCMZ-NHCUHLMSSA-N 2 1 371.613 4.480 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000502880427 1095917320 /nfs/dbraw/zinc/91/73/20/1095917320.db2.gz ISBCPRXSUYPSRL-JOCHJYFZSA-N 2 1 355.526 4.004 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000502880427 1095917321 /nfs/dbraw/zinc/91/73/21/1095917321.db2.gz ISBCPRXSUYPSRL-JOCHJYFZSA-N 2 1 355.526 4.004 20 0 FIADMP C[C@@H]1C[C@@H](N2CC[NH+](CC3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053024 1095921613 /nfs/dbraw/zinc/92/16/13/1095921613.db2.gz LXDCLIPMIGPARO-RUMRUAAYSA-N 2 1 369.597 4.236 20 0 FIADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000421825793 1095938718 /nfs/dbraw/zinc/93/87/18/1095938718.db2.gz PHYBDBCTVXUAIA-HNNXBMFYSA-N 2 1 362.901 4.140 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](c1ccccc1)C2 ZINC000503073702 1096049349 /nfs/dbraw/zinc/04/93/49/1096049349.db2.gz OSKLHWAYBDCTLQ-GMAHTHKFSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](c1ccccc1)C2 ZINC000503073702 1096049360 /nfs/dbraw/zinc/04/93/60/1096049360.db2.gz OSKLHWAYBDCTLQ-GMAHTHKFSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](c1ccccc1)C2 ZINC000503073702 1096049373 /nfs/dbraw/zinc/04/93/73/1096049373.db2.gz OSKLHWAYBDCTLQ-GMAHTHKFSA-N 2 1 350.506 4.279 20 0 FIADMP COc1ccc2c(c1)C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](c1ccccc1)C2 ZINC000503073702 1096049386 /nfs/dbraw/zinc/04/93/86/1096049386.db2.gz OSKLHWAYBDCTLQ-GMAHTHKFSA-N 2 1 350.506 4.279 20 0 FIADMP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000503560713 1096463988 /nfs/dbraw/zinc/46/39/88/1096463988.db2.gz ZKOYQNOJTSBWAR-QFIPXVFZSA-N 2 1 367.537 4.139 20 0 FIADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000503560713 1096463992 /nfs/dbraw/zinc/46/39/92/1096463992.db2.gz ZKOYQNOJTSBWAR-QFIPXVFZSA-N 2 1 367.537 4.139 20 0 FIADMP CCc1cc(OC)ccc1C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000503560713 1096463996 /nfs/dbraw/zinc/46/39/96/1096463996.db2.gz ZKOYQNOJTSBWAR-QFIPXVFZSA-N 2 1 367.537 4.139 20 0 FIADMP CCc1cc(OC)ccc1C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000503560713 1096464003 /nfs/dbraw/zinc/46/40/03/1096464003.db2.gz ZKOYQNOJTSBWAR-QFIPXVFZSA-N 2 1 367.537 4.139 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000422760731 1096476230 /nfs/dbraw/zinc/47/62/30/1096476230.db2.gz LFLUPUXOKWAHJG-QZTJIDSGSA-N 2 1 366.553 4.163 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000503597845 1096490971 /nfs/dbraw/zinc/49/09/71/1096490971.db2.gz LJLLZHXVTDSZHU-UHFFFAOYSA-N 2 1 369.372 4.301 20 0 FIADMP CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1nc(C(F)(F)F)cs1 ZINC000422807190 1096496304 /nfs/dbraw/zinc/49/63/04/1096496304.db2.gz JGMADQIFPMYPMZ-ZWNOBZJWSA-N 2 1 358.433 4.126 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NC(C)(C)CCC[NH3+])C1CCCCC1 ZINC000414701609 1096512298 /nfs/dbraw/zinc/51/22/98/1096512298.db2.gz AKOCEALXAPXQAZ-UHFFFAOYSA-N 2 1 360.546 4.090 20 0 FIADMP CCOCCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422892060 1096515885 /nfs/dbraw/zinc/51/58/85/1096515885.db2.gz XKYSUKHFENYHOI-SFTDATJTSA-N 2 1 360.542 4.065 20 0 FIADMP FC(F)n1c(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc2ccccc21 ZINC000422913931 1096522392 /nfs/dbraw/zinc/52/23/92/1096522392.db2.gz RFXUGBIOFLVQHH-FUHWJXTLSA-N 2 1 370.447 4.057 20 0 FIADMP Brc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422938658 1096530695 /nfs/dbraw/zinc/53/06/95/1096530695.db2.gz DVDXMJLKLAUVMU-JIRNRHONSA-N 2 1 371.322 4.411 20 0 FIADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1C(F)(F)F ZINC000422920806 1096532570 /nfs/dbraw/zinc/53/25/70/1096532570.db2.gz NWNQJOQXIDLGAU-QWHCGFSZSA-N 2 1 353.388 4.021 20 0 FIADMP Clc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)s1 ZINC000422999008 1096547185 /nfs/dbraw/zinc/54/71/85/1096547185.db2.gz XKZPGAGOINAEAZ-GUYCJALGSA-N 2 1 369.317 4.400 20 0 FIADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423035778 1096556160 /nfs/dbraw/zinc/55/61/60/1096556160.db2.gz KEULWUJUNOUEQR-CWSCBRNRSA-N 2 1 353.226 4.158 20 0 FIADMP COc1ccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423039603 1096557535 /nfs/dbraw/zinc/55/75/35/1096557535.db2.gz FRGWNEQPOOKNAM-YJYMSZOUSA-N 2 1 364.411 4.001 20 0 FIADMP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000423060772 1096560448 /nfs/dbraw/zinc/56/04/48/1096560448.db2.gz IWKSTLCEKACMIJ-JKOKRWQUSA-N 2 1 354.338 4.287 20 0 FIADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423106074 1096583313 /nfs/dbraw/zinc/58/33/13/1096583313.db2.gz OEUDJTHNNIOJMK-WQTXXOFMSA-N 2 1 372.940 4.356 20 0 FIADMP Brc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423207094 1096607762 /nfs/dbraw/zinc/60/77/62/1096607762.db2.gz GPILHNLNWTZJJR-DNVCBOLYSA-N 2 1 359.311 4.128 20 0 FIADMP CC[C@@H](C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000414723838 1096615268 /nfs/dbraw/zinc/61/52/68/1096615268.db2.gz QNLWZIAEXPSEMJ-PKOBYXMFSA-N 2 1 355.551 4.281 20 0 FIADMP c1csc(C[N@H+](Cc2ccc(C3CC3)cc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000414722440 1096617315 /nfs/dbraw/zinc/61/73/15/1096617315.db2.gz MHKZTWNRYYKUPV-IBGZPJMESA-N 2 1 353.535 4.165 20 0 FIADMP c1csc(C[N@@H+](Cc2ccc(C3CC3)cc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000414722440 1096617320 /nfs/dbraw/zinc/61/73/20/1096617320.db2.gz MHKZTWNRYYKUPV-IBGZPJMESA-N 2 1 353.535 4.165 20 0 FIADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000423289714 1096635198 /nfs/dbraw/zinc/63/51/98/1096635198.db2.gz BQDUETIMCGDFDO-NWLLBJEDSA-N 3 1 351.538 4.239 20 0 FIADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1cccc(Cl)c1 ZINC000423296142 1096644259 /nfs/dbraw/zinc/64/42/59/1096644259.db2.gz YIPGHFSCIHEOQV-UONOGXRCSA-N 2 1 369.900 4.100 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423369537 1096658430 /nfs/dbraw/zinc/65/84/30/1096658430.db2.gz FBBLETRNLDIKTF-ZOCZFRKYSA-N 2 1 374.912 4.306 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000423385212 1096662887 /nfs/dbraw/zinc/66/28/87/1096662887.db2.gz GOLSOUMQMUFVGX-MDASCCDHSA-N 2 1 359.311 4.126 20 0 FIADMP CC1CC[NH+](CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c2ccc(F)cc2)CC1 ZINC000423392992 1096665357 /nfs/dbraw/zinc/66/53/57/1096665357.db2.gz XZGCYOQZVXGOTK-BWAGFHJFSA-N 3 1 361.549 4.109 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423405211 1096673642 /nfs/dbraw/zinc/67/36/42/1096673642.db2.gz ZRMINWXMMVJXDL-SLEUVZQESA-N 2 1 367.324 4.279 20 0 FIADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423445661 1096677825 /nfs/dbraw/zinc/67/78/25/1096677825.db2.gz MYXFZKCTPGCSKH-DCAQKATOSA-N 2 1 368.344 4.267 20 0 FIADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000423540677 1096716754 /nfs/dbraw/zinc/71/67/54/1096716754.db2.gz ABVALXZRAIULTC-SFHVURJKSA-N 2 1 363.505 4.077 20 0 FIADMP Cc1ccc(Nc2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)cs2)cc1 ZINC000532927110 1098598774 /nfs/dbraw/zinc/59/87/74/1098598774.db2.gz JIGDZVHBWMFSKK-UHFFFAOYSA-N 2 1 358.555 4.359 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)CCC2 ZINC000533166936 1098837714 /nfs/dbraw/zinc/83/77/14/1098837714.db2.gz JOEUKIJTKBQGHJ-DVECYGJZSA-N 2 1 364.533 4.383 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)CCC2 ZINC000533166936 1098837726 /nfs/dbraw/zinc/83/77/26/1098837726.db2.gz JOEUKIJTKBQGHJ-DVECYGJZSA-N 2 1 364.533 4.383 20 0 FIADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000436275775 1098902442 /nfs/dbraw/zinc/90/24/42/1098902442.db2.gz QMBCKOOSTHAUNU-UHFFFAOYSA-N 2 1 353.510 4.145 20 0 FIADMP FC(F)(F)c1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)ccc1Cl ZINC000414884004 1098987891 /nfs/dbraw/zinc/98/78/91/1098987891.db2.gz UEYNBPYSAVNBRW-UHFFFAOYSA-N 2 1 357.807 4.023 20 0 FIADMP Fc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCC2)cc1 ZINC000420934638 1099068557 /nfs/dbraw/zinc/06/85/57/1099068557.db2.gz KJLBBENFDZQAJM-HSZRJFAPSA-N 2 1 368.496 4.289 20 0 FIADMP CCC1(C[NH2+]Cc2ccc3nc[nH]c3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000533583753 1099198282 /nfs/dbraw/zinc/19/82/82/1099198282.db2.gz JEXJRYDESVKAKP-UHFFFAOYSA-N 2 1 362.521 4.345 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)[C@@H]2CCC[C@@H]21 ZINC000516324644 1099371179 /nfs/dbraw/zinc/37/11/79/1099371179.db2.gz XWBHALNZIDQFTM-FUDKSRODSA-N 2 1 374.532 4.047 20 0 FIADMP c1nc(-c2ccccc2)sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961456 1099452242 /nfs/dbraw/zinc/45/22/42/1099452242.db2.gz LDQZAENQNJIGCJ-YQQQUEKLSA-N 2 1 353.535 4.305 20 0 FIADMP c1nc(-c2ccccc2)sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961456 1099452248 /nfs/dbraw/zinc/45/22/48/1099452248.db2.gz LDQZAENQNJIGCJ-YQQQUEKLSA-N 2 1 353.535 4.305 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000162243879 1099668618 /nfs/dbraw/zinc/66/86/18/1099668618.db2.gz UJWOJAFWDTZTMR-INIZCTEOSA-N 2 1 359.477 4.190 20 0 FIADMP C[C@@H]([NH2+]CCc1nc2ccccc2s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691804 1099824408 /nfs/dbraw/zinc/82/44/08/1099824408.db2.gz QEPKUATUQSQHRB-IEBWSBKVSA-N 2 1 365.546 4.339 20 0 FIADMP C[C@H]([NH2+]CCc1cccc2cccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700786 1099853958 /nfs/dbraw/zinc/85/39/58/1099853958.db2.gz RJNFXKMFCMUMDV-WMZHIEFXSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702513 1099855443 /nfs/dbraw/zinc/85/54/43/1099855443.db2.gz ZILSBGHWGDQPLV-ZIFCJYIRSA-N 2 1 374.475 4.232 20 0 FIADMP C[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714128 1099882239 /nfs/dbraw/zinc/88/22/39/1099882239.db2.gz URYPLNOZYSXPLR-NQIIRXRSSA-N 2 1 365.521 4.013 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708936 1099887687 /nfs/dbraw/zinc/88/76/87/1099887687.db2.gz FCXQGUBSRIBUKA-BAGYTPMASA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708936 1099887699 /nfs/dbraw/zinc/88/76/99/1099887699.db2.gz FCXQGUBSRIBUKA-BAGYTPMASA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708936 1099887708 /nfs/dbraw/zinc/88/77/08/1099887708.db2.gz FCXQGUBSRIBUKA-BAGYTPMASA-N 2 1 369.553 4.163 20 0 FIADMP CC(C)c1[nH+]c(CNC2CC[NH+](C3CCCCC3)CC2)c2ccccn21 ZINC000516871867 1099900627 /nfs/dbraw/zinc/90/06/27/1099900627.db2.gz UXQLKDRJYFIJFZ-UHFFFAOYSA-N 2 1 354.542 4.344 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508713221 1099903881 /nfs/dbraw/zinc/90/38/81/1099903881.db2.gz SNXXPCITWGCKPE-DENIHFKCSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721443 1099937256 /nfs/dbraw/zinc/93/72/56/1099937256.db2.gz USOMYRFZJVVIBK-RBBKRZOGSA-N 2 1 351.538 4.013 20 0 FIADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000508720921 1099939337 /nfs/dbraw/zinc/93/93/37/1099939337.db2.gz NWSOJSNYWGPJPN-AWRGLXIESA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720921 1099939343 /nfs/dbraw/zinc/93/93/43/1099939343.db2.gz NWSOJSNYWGPJPN-AWRGLXIESA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720921 1099939347 /nfs/dbraw/zinc/93/93/47/1099939347.db2.gz NWSOJSNYWGPJPN-AWRGLXIESA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000508720921 1099939348 /nfs/dbraw/zinc/93/93/48/1099939348.db2.gz NWSOJSNYWGPJPN-AWRGLXIESA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000508720921 1099939350 /nfs/dbraw/zinc/93/93/50/1099939350.db2.gz NWSOJSNYWGPJPN-AWRGLXIESA-N 2 1 365.565 4.007 20 0 FIADMP C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722672 1099942352 /nfs/dbraw/zinc/94/23/52/1099942352.db2.gz YJVDMFLEUXLQJB-XLIONFOSSA-N 2 1 365.496 4.350 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4ccccc4C[C@@H]3C)CC2)oc1C ZINC000162744162 1099980599 /nfs/dbraw/zinc/98/05/99/1099980599.db2.gz LQRKXWDPPGQELL-NYHFZMIOSA-N 2 1 353.510 4.027 20 0 FIADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000437760388 1100151958 /nfs/dbraw/zinc/15/19/58/1100151958.db2.gz DUCAHKKUHBVXSQ-FGZHOGPDSA-N 2 1 356.554 4.122 20 0 FIADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000437760390 1100152620 /nfs/dbraw/zinc/15/26/20/1100152620.db2.gz DUCAHKKUHBVXSQ-YADHBBJMSA-N 2 1 356.554 4.122 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]1Sc1ccccc1 ZINC000459439947 1100174812 /nfs/dbraw/zinc/17/48/12/1100174812.db2.gz NHGOUVLASAZCAJ-YPAWHYETSA-N 2 1 374.594 4.321 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000536695428 1100197597 /nfs/dbraw/zinc/19/75/97/1100197597.db2.gz BDJOJENUHJIZMC-OAQYLSRUSA-N 2 1 374.532 4.189 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000536695428 1100197611 /nfs/dbraw/zinc/19/76/11/1100197611.db2.gz BDJOJENUHJIZMC-OAQYLSRUSA-N 2 1 374.532 4.189 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000536695428 1100197623 /nfs/dbraw/zinc/19/76/23/1100197623.db2.gz BDJOJENUHJIZMC-OAQYLSRUSA-N 2 1 374.532 4.189 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000379625508 1100223534 /nfs/dbraw/zinc/22/35/34/1100223534.db2.gz FTKGDRYMPCTUHC-QZTJIDSGSA-N 2 1 356.510 4.265 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(Br)c1 ZINC000191474217 1100242221 /nfs/dbraw/zinc/24/22/21/1100242221.db2.gz HLQOHKKCBFQCES-UHFFFAOYSA-N 2 1 356.333 4.182 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(Br)c1 ZINC000191474217 1100242230 /nfs/dbraw/zinc/24/22/30/1100242230.db2.gz HLQOHKKCBFQCES-UHFFFAOYSA-N 2 1 356.333 4.182 20 0 FIADMP c1ccc(C[NH+]2CCC([C@@H]3CCCCC[N@@H+]3C[C@H]3CCOC3)CC2)cc1 ZINC000459517864 1100256995 /nfs/dbraw/zinc/25/69/95/1100256995.db2.gz GDGSFNVTLKZODY-GGAORHGYSA-N 2 1 356.554 4.180 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1)CC1CC1 ZINC000536736258 1100261977 /nfs/dbraw/zinc/26/19/77/1100261977.db2.gz FMBBKNRSFOJURR-UHFFFAOYSA-N 2 1 368.525 4.071 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459589243 1100330767 /nfs/dbraw/zinc/33/07/67/1100330767.db2.gz XYGFOMUQMWDAAY-QFIPXVFZSA-N 2 1 355.570 4.020 20 0 FIADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000536824406 1100340091 /nfs/dbraw/zinc/34/00/91/1100340091.db2.gz BIZCMEUPTOKEJU-WMZHIEFXSA-N 2 1 368.569 4.382 20 0 FIADMP CCCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000536824406 1100340099 /nfs/dbraw/zinc/34/00/99/1100340099.db2.gz BIZCMEUPTOKEJU-WMZHIEFXSA-N 2 1 368.569 4.382 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000536824709 1100340854 /nfs/dbraw/zinc/34/08/54/1100340854.db2.gz DMHIWWIVNWJHHZ-KCLXPQBDSA-N 2 1 362.583 4.118 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834946 1100346974 /nfs/dbraw/zinc/34/69/74/1100346974.db2.gz YUAWAHMAUFSGAA-ICSRJNTNSA-N 2 1 354.542 4.199 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000536847765 1100359884 /nfs/dbraw/zinc/35/98/84/1100359884.db2.gz WSZGXAUKEDUZDY-XXBNENTESA-N 2 1 374.532 4.181 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425939192 1100362013 /nfs/dbraw/zinc/36/20/13/1100362013.db2.gz ZDZXFOUBSIDOLJ-NQIIRXRSSA-N 2 1 357.929 4.340 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000425942826 1100379291 /nfs/dbraw/zinc/37/92/91/1100379291.db2.gz GVOAAJMHIHASFF-MJGOQNOKSA-N 2 1 370.562 4.116 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000425942826 1100379301 /nfs/dbraw/zinc/37/93/01/1100379301.db2.gz GVOAAJMHIHASFF-MJGOQNOKSA-N 2 1 370.562 4.116 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1 ZINC000536878351 1100399697 /nfs/dbraw/zinc/39/96/97/1100399697.db2.gz ONZPALXRBAXIDW-HOIFWPIMSA-N 2 1 374.488 4.025 20 0 FIADMP FC(F)(F)Oc1cccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000438058004 1100401533 /nfs/dbraw/zinc/40/15/33/1100401533.db2.gz LEKUOXGMPFTXLO-KRWDZBQOSA-N 2 1 356.432 4.078 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)sc2C1 ZINC000438357765 1100626814 /nfs/dbraw/zinc/62/68/14/1100626814.db2.gz NQSRBNBCXBVNOH-RBUKOAKNSA-N 2 1 369.578 4.411 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)sc2C1 ZINC000438357765 1100626817 /nfs/dbraw/zinc/62/68/17/1100626817.db2.gz NQSRBNBCXBVNOH-RBUKOAKNSA-N 2 1 369.578 4.411 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000517936818 1100803737 /nfs/dbraw/zinc/80/37/37/1100803737.db2.gz ZLVATJAOEJHQSI-MAUKXSAKSA-N 2 1 371.912 4.152 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414944911 1100885485 /nfs/dbraw/zinc/88/54/85/1100885485.db2.gz HPOKXHWLGXAIJB-WFASDCNBSA-N 2 1 357.361 4.180 20 0 FIADMP CCOc1ncccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438831750 1100950706 /nfs/dbraw/zinc/95/07/06/1100950706.db2.gz ZQBITWZWMVKJPM-UHFFFAOYSA-N 2 1 353.510 4.013 20 0 FIADMP CN(C)c1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000438842595 1100951602 /nfs/dbraw/zinc/95/16/02/1100951602.db2.gz PACFAZCEWYIJOH-UHFFFAOYSA-N 2 1 351.538 4.285 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475312 1101123820 /nfs/dbraw/zinc/12/38/20/1101123820.db2.gz VGQGPQQUTLKLIB-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475312 1101123823 /nfs/dbraw/zinc/12/38/23/1101123823.db2.gz VGQGPQQUTLKLIB-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475312 1101123825 /nfs/dbraw/zinc/12/38/25/1101123825.db2.gz VGQGPQQUTLKLIB-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000506475312 1101123827 /nfs/dbraw/zinc/12/38/27/1101123827.db2.gz VGQGPQQUTLKLIB-SJLPKXTDSA-N 2 1 352.469 4.374 20 0 FIADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000261979150 1101247931 /nfs/dbraw/zinc/24/79/31/1101247931.db2.gz HFWFIOJLRGWNHV-UHFFFAOYSA-N 2 1 359.558 4.193 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322397 1101266440 /nfs/dbraw/zinc/26/64/40/1101266440.db2.gz IQWAKACILAODOG-PBFPGSCMSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322397 1101266446 /nfs/dbraw/zinc/26/64/46/1101266446.db2.gz IQWAKACILAODOG-PBFPGSCMSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426327990 1101281522 /nfs/dbraw/zinc/28/15/22/1101281522.db2.gz WQRFKOFZJQXRDI-IIDMSEBBSA-N 2 1 365.359 4.189 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724450 1101345889 /nfs/dbraw/zinc/34/58/89/1101345889.db2.gz DRXCZCWQGTXSBA-SFHVURJKSA-N 2 1 374.960 4.023 20 0 FIADMP CSc1cc(Br)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000518619474 1101361452 /nfs/dbraw/zinc/36/14/52/1101361452.db2.gz WRMRFIUTWGXXIL-XYPWUTKMSA-N 2 1 369.372 4.228 20 0 FIADMP CSc1cc(Br)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000518619474 1101361468 /nfs/dbraw/zinc/36/14/68/1101361468.db2.gz WRMRFIUTWGXXIL-XYPWUTKMSA-N 2 1 369.372 4.228 20 0 FIADMP CSc1cc(Br)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000518619474 1101361482 /nfs/dbraw/zinc/36/14/82/1101361482.db2.gz WRMRFIUTWGXXIL-XYPWUTKMSA-N 2 1 369.372 4.228 20 0 FIADMP CSc1cc(Br)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000518619474 1101361497 /nfs/dbraw/zinc/36/14/97/1101361497.db2.gz WRMRFIUTWGXXIL-XYPWUTKMSA-N 2 1 369.372 4.228 20 0 FIADMP O[C@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000537014269 1101396947 /nfs/dbraw/zinc/39/69/47/1101396947.db2.gz ILZOFEFYHORCQK-VXKWHMMOSA-N 2 1 370.924 4.018 20 0 FIADMP O[C@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000537014269 1101396960 /nfs/dbraw/zinc/39/69/60/1101396960.db2.gz ILZOFEFYHORCQK-VXKWHMMOSA-N 2 1 370.924 4.018 20 0 FIADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024564 1101403157 /nfs/dbraw/zinc/40/31/57/1101403157.db2.gz PVUUPHVVHNLJAW-RXVVDRJESA-N 2 1 353.510 4.186 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000178323798 1101529899 /nfs/dbraw/zinc/52/98/99/1101529899.db2.gz WNUFYYPFMNQJBE-SJORKVTESA-N 2 1 372.476 4.173 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000537290039 1101608420 /nfs/dbraw/zinc/60/84/20/1101608420.db2.gz ZYHNAPXZQGMURR-CQSZACIVSA-N 2 1 365.880 4.065 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3nc2C)cc1 ZINC000183685856 1101630939 /nfs/dbraw/zinc/63/09/39/1101630939.db2.gz JEQJXBWNAXTXBT-OAHLLOKOSA-N 2 1 357.461 4.283 20 0 FIADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(N2CCCCC2)c1 ZINC001167964869 1101639839 /nfs/dbraw/zinc/63/98/39/1101639839.db2.gz ZCJMSAFYDLQQCR-BRTIRZTQSA-N 2 1 353.554 4.172 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000537359306 1101713707 /nfs/dbraw/zinc/71/37/07/1101713707.db2.gz YFMVUXHAANEQRD-DXIQSLLYSA-N 2 1 356.510 4.097 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000519058663 1101879720 /nfs/dbraw/zinc/87/97/20/1101879720.db2.gz WNSUBAYFRIAANU-VAMGGRTRSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000519058663 1101879732 /nfs/dbraw/zinc/87/97/32/1101879732.db2.gz WNSUBAYFRIAANU-VAMGGRTRSA-N 2 1 355.551 4.232 20 0 FIADMP COCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000519076377 1101900083 /nfs/dbraw/zinc/90/00/83/1101900083.db2.gz STRJBMSBDMUGHK-LJQANCHMSA-N 2 1 370.459 4.247 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000398038989 1101961381 /nfs/dbraw/zinc/96/13/81/1101961381.db2.gz RAWNZRFTVGDECX-GBXCKJPGSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000398038989 1101961384 /nfs/dbraw/zinc/96/13/84/1101961384.db2.gz RAWNZRFTVGDECX-GBXCKJPGSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000398112642 1101966623 /nfs/dbraw/zinc/96/66/23/1101966623.db2.gz DPJCSKUMTCUBIW-BAGYTPMASA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000398112642 1101966630 /nfs/dbraw/zinc/96/66/30/1101966630.db2.gz DPJCSKUMTCUBIW-BAGYTPMASA-N 2 1 356.554 4.369 20 0 FIADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000061051975 1102238259 /nfs/dbraw/zinc/23/82/59/1102238259.db2.gz PYAGTSNJXJVWPP-UHFFFAOYSA-N 2 1 364.892 4.490 20 0 FIADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C(=O)OC)cc1 ZINC000550782929 1102281544 /nfs/dbraw/zinc/28/15/44/1102281544.db2.gz BSDWOKIBEAJXAY-SCWSEQNSSA-N 2 1 358.526 4.167 20 0 FIADMP CC[NH+]1CCC([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000532441439 1102329926 /nfs/dbraw/zinc/32/99/26/1102329926.db2.gz MUNXAKFKKFYEIW-UHFFFAOYSA-N 2 1 358.476 4.193 20 0 FIADMP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000532441725 1102330811 /nfs/dbraw/zinc/33/08/11/1102330811.db2.gz FHAKPWRZKLRPMI-FCEUIQTBSA-N 2 1 367.537 4.059 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000550822210 1102406722 /nfs/dbraw/zinc/40/67/22/1102406722.db2.gz HFYPKWKOOZGFOR-RWCSOYMTSA-N 2 1 356.535 4.176 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000550822210 1102406730 /nfs/dbraw/zinc/40/67/30/1102406730.db2.gz HFYPKWKOOZGFOR-RWCSOYMTSA-N 2 1 356.535 4.176 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000532500928 1102431995 /nfs/dbraw/zinc/43/19/95/1102431995.db2.gz RMOATJYQPLOLOK-MDZRGWNJSA-N 2 1 368.949 4.136 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4[nH]ccc43)CC2)cs1 ZINC000111397461 1102535337 /nfs/dbraw/zinc/53/53/37/1102535337.db2.gz BVBDMQPIEQINRR-UHFFFAOYSA-N 2 1 368.550 4.189 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000122214222 1102535784 /nfs/dbraw/zinc/53/57/84/1102535784.db2.gz WGZMTWLPEAWBTE-NRFANRHFSA-N 2 1 360.542 4.114 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)[C@H](C)C1 ZINC000122319515 1102566097 /nfs/dbraw/zinc/56/60/97/1102566097.db2.gz MGCRAZDFUQKPPQ-RYRKJORJSA-N 2 1 361.555 4.084 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000537647475 1102648272 /nfs/dbraw/zinc/64/82/72/1102648272.db2.gz HDSQYWXMPVHSAA-FQEVSTJZSA-N 2 1 353.510 4.346 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000537647475 1102648277 /nfs/dbraw/zinc/64/82/77/1102648277.db2.gz HDSQYWXMPVHSAA-FQEVSTJZSA-N 2 1 353.510 4.346 20 0 FIADMP Cc1nnc([C@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835591 1102648872 /nfs/dbraw/zinc/64/88/72/1102648872.db2.gz DIIMKLCQIXXSLW-OXJNMPFZSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1nnc([C@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835591 1102648877 /nfs/dbraw/zinc/64/88/77/1102648877.db2.gz DIIMKLCQIXXSLW-OXJNMPFZSA-N 2 1 368.525 4.062 20 0 FIADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550881907 1102653165 /nfs/dbraw/zinc/65/31/65/1102653165.db2.gz FVONANQCVCXADB-BHDDXSALSA-N 2 1 370.581 4.330 20 0 FIADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550881909 1102653206 /nfs/dbraw/zinc/65/32/06/1102653206.db2.gz FVONANQCVCXADB-YPAWHYETSA-N 2 1 370.581 4.330 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000550885010 1102657124 /nfs/dbraw/zinc/65/71/24/1102657124.db2.gz AYYAALWJYQFOAH-UVKLAMSESA-N 2 1 357.586 4.140 20 0 FIADMP CC(C)[NH+]1CCC[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000550885010 1102657130 /nfs/dbraw/zinc/65/71/30/1102657130.db2.gz AYYAALWJYQFOAH-UVKLAMSESA-N 2 1 357.586 4.140 20 0 FIADMP CC(C)[NH+]1CCC[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000550885010 1102657136 /nfs/dbraw/zinc/65/71/36/1102657136.db2.gz AYYAALWJYQFOAH-UVKLAMSESA-N 3 1 357.586 4.140 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC000550886297 1102658427 /nfs/dbraw/zinc/65/84/27/1102658427.db2.gz GUSWWWNTEQTLHE-QZTJIDSGSA-N 2 1 353.510 4.173 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000550889755 1102661744 /nfs/dbraw/zinc/66/17/44/1102661744.db2.gz CZSLAWDJDWZNAK-OTWHNJEPSA-N 2 1 367.537 4.419 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168253020 1102661772 /nfs/dbraw/zinc/66/17/72/1102661772.db2.gz VFBOTMRJDWCHLC-FKBYEOEOSA-N 2 1 368.496 4.074 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000550907644 1102666484 /nfs/dbraw/zinc/66/64/84/1102666484.db2.gz UPQGOPQUIIMXDB-VHYCJAOWSA-N 2 1 366.549 4.013 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000550920880 1102693101 /nfs/dbraw/zinc/69/31/01/1102693101.db2.gz KNXFAHPULJPWOS-JTPDYBDNSA-N 2 1 368.565 4.367 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664838598 1102706101 /nfs/dbraw/zinc/70/61/01/1102706101.db2.gz VDXLRFJHMJHLLI-QFIPXVFZSA-N 2 1 367.537 4.414 20 0 FIADMP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC(F)(F)CC1 ZINC001167977813 1102733197 /nfs/dbraw/zinc/73/31/97/1102733197.db2.gz FPVMHZNMHGXUNE-YQQQUEKLSA-N 2 1 370.528 4.214 20 0 FIADMP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388266717 1102759723 /nfs/dbraw/zinc/75/97/23/1102759723.db2.gz CKHASMDEQKVABT-QFIPXVFZSA-N 2 1 352.522 4.477 20 0 FIADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CC2=Cc4ccccc4OC2)CC3)cc1 ZINC000537659576 1102762117 /nfs/dbraw/zinc/76/21/17/1102762117.db2.gz LXJLEAVFTDKAHF-UHFFFAOYSA-N 2 1 374.528 4.451 20 0 FIADMP CC[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660326 1102783332 /nfs/dbraw/zinc/78/33/32/1102783332.db2.gz CNCSFDFPLCPDBX-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660326 1102783340 /nfs/dbraw/zinc/78/33/40/1102783340.db2.gz CNCSFDFPLCPDBX-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660326 1102783351 /nfs/dbraw/zinc/78/33/51/1102783351.db2.gz CNCSFDFPLCPDBX-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429356525 1102824438 /nfs/dbraw/zinc/82/44/38/1102824438.db2.gz VPLZJSMATHMPMF-KRWDZBQOSA-N 2 1 362.315 4.257 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)cc1OC ZINC000551051130 1102864341 /nfs/dbraw/zinc/86/43/41/1102864341.db2.gz NSDBUMCRBQJDGP-VPWXQRGCSA-N 2 1 372.484 4.329 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459366258 1102931248 /nfs/dbraw/zinc/93/12/48/1102931248.db2.gz BMYLXJRPHJHOGU-QGZVFWFLSA-N 2 1 350.510 4.018 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000551174519 1102948947 /nfs/dbraw/zinc/94/89/47/1102948947.db2.gz CXTJJYSDAPWWDG-WZYRSQIMSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000551174519 1102948951 /nfs/dbraw/zinc/94/89/51/1102948951.db2.gz CXTJJYSDAPWWDG-WZYRSQIMSA-N 2 1 350.506 4.189 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000506949185 1102977631 /nfs/dbraw/zinc/97/76/31/1102977631.db2.gz ZZALSDGLHGWURC-UHFFFAOYSA-N 2 1 354.542 4.125 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476977264 1102989716 /nfs/dbraw/zinc/98/97/16/1102989716.db2.gz ADJLRLLHXOXGOR-IBGZPJMESA-N 2 1 371.569 4.164 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476977264 1102989719 /nfs/dbraw/zinc/98/97/19/1102989719.db2.gz ADJLRLLHXOXGOR-IBGZPJMESA-N 2 1 371.569 4.164 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459382037 1103114954 /nfs/dbraw/zinc/11/49/54/1103114954.db2.gz WHACABIEAWFWJP-KRWDZBQOSA-N 2 1 363.505 4.216 20 0 FIADMP Cc1cccc(N2CCC([NH2+]CCCCCOc3ccccc3)CC2)[nH+]1 ZINC000187932120 1103239596 /nfs/dbraw/zinc/23/95/96/1103239596.db2.gz QOGOMWUZFSMSAL-UHFFFAOYSA-N 2 1 353.510 4.198 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(C)o1 ZINC000507452914 1103399687 /nfs/dbraw/zinc/39/96/87/1103399687.db2.gz YPDGBRPHSZQEMA-KJJMTIBFSA-N 2 1 368.521 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(C)o1 ZINC000507452914 1103399702 /nfs/dbraw/zinc/39/97/02/1103399702.db2.gz YPDGBRPHSZQEMA-KJJMTIBFSA-N 2 1 368.521 4.166 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC000507519401 1103443744 /nfs/dbraw/zinc/44/37/44/1103443744.db2.gz IEXYWXKDJFBEKV-WWPVKYPJSA-N 2 1 362.517 4.185 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ncccc3CC)CC2)cs1 ZINC000507514000 1103455372 /nfs/dbraw/zinc/45/53/72/1103455372.db2.gz SMCZQJFNIVQXSA-MRXNPFEDSA-N 2 1 372.582 4.226 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1CCCOC1 ZINC000507530887 1103473930 /nfs/dbraw/zinc/47/39/30/1103473930.db2.gz QOTQJQAKXIYRHC-URXFXBBRSA-N 2 1 366.549 4.484 20 0 FIADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000551778468 1103624078 /nfs/dbraw/zinc/62/40/78/1103624078.db2.gz ITGDRIZJWDDVMX-DLBZAZTESA-N 2 1 368.949 4.279 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519816566 1103880716 /nfs/dbraw/zinc/88/07/16/1103880716.db2.gz OSNZGBJQDLKMQI-CTNGQTDRSA-N 2 1 351.538 4.168 20 0 FIADMP CCN(C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CCCCC1 ZINC000538267203 1104072909 /nfs/dbraw/zinc/07/29/09/1104072909.db2.gz APUJZDZGLAAWPB-KRWDZBQOSA-N 2 1 368.525 4.013 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000441180995 1104187960 /nfs/dbraw/zinc/18/79/60/1104187960.db2.gz WZOGKIQAEDDMGP-HXUWFJFHSA-N 2 1 371.569 4.016 20 0 FIADMP OCCC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228531 1104189195 /nfs/dbraw/zinc/18/91/95/1104189195.db2.gz TYTGNEPSIHOGTF-XZOQPEGZSA-N 2 1 364.533 4.287 20 0 FIADMP OCCC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228531 1104189202 /nfs/dbraw/zinc/18/92/02/1104189202.db2.gz TYTGNEPSIHOGTF-XZOQPEGZSA-N 2 1 364.533 4.287 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCSc1ccccc1Cl ZINC000441201926 1104195423 /nfs/dbraw/zinc/19/54/23/1104195423.db2.gz FRZMIDHCFUCRDJ-NXHRZFHOSA-N 2 1 368.974 4.006 20 0 FIADMP c1cc(S[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)ccn1 ZINC001167995521 1104517362 /nfs/dbraw/zinc/51/73/62/1104517362.db2.gz IQCXEKRJFJFUQM-VHRCFOOQSA-N 2 1 357.567 4.044 20 0 FIADMP c1cc(S[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995521 1104517371 /nfs/dbraw/zinc/51/73/71/1104517371.db2.gz IQCXEKRJFJFUQM-VHRCFOOQSA-N 2 1 357.567 4.044 20 0 FIADMP c1cc(S[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995521 1104517379 /nfs/dbraw/zinc/51/73/79/1104517379.db2.gz IQCXEKRJFJFUQM-VHRCFOOQSA-N 2 1 357.567 4.044 20 0 FIADMP Brc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582868 1104934194 /nfs/dbraw/zinc/93/41/94/1104934194.db2.gz XLJZIAMMGFUNAK-BZNIZROVSA-N 2 1 355.345 4.036 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190616781 1104951774 /nfs/dbraw/zinc/95/17/74/1104951774.db2.gz IDZGLGSLZQHVNP-MRXNPFEDSA-N 2 1 357.361 4.424 20 0 FIADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168002183 1104971315 /nfs/dbraw/zinc/97/13/15/1104971315.db2.gz PQAJXIHYALOVSH-PJEZACDQSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001168002183 1104971320 /nfs/dbraw/zinc/97/13/20/1104971320.db2.gz PQAJXIHYALOVSH-PJEZACDQSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1cccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001168002183 1104971325 /nfs/dbraw/zinc/97/13/25/1104971325.db2.gz PQAJXIHYALOVSH-PJEZACDQSA-N 2 1 368.521 4.016 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000507791506 1105077655 /nfs/dbraw/zinc/07/76/55/1105077655.db2.gz CPOXWEOKAOHXCE-ZLNRFVROSA-N 2 1 356.554 4.180 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000507791506 1105077661 /nfs/dbraw/zinc/07/76/61/1105077661.db2.gz CPOXWEOKAOHXCE-ZLNRFVROSA-N 2 1 356.554 4.180 20 0 FIADMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000093066487 1105089890 /nfs/dbraw/zinc/08/98/90/1105089890.db2.gz JWQRYSBWNCBKPF-UHFFFAOYSA-N 2 1 355.551 4.298 20 0 FIADMP Cc1cccn2c(C[NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC001168007422 1105130313 /nfs/dbraw/zinc/13/03/13/1105130313.db2.gz AQPHGOBIFBJRPS-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP Cc1cccn2c(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC001168007422 1105130318 /nfs/dbraw/zinc/13/03/18/1105130318.db2.gz AQPHGOBIFBJRPS-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834403 1105241106 /nfs/dbraw/zinc/24/11/06/1105241106.db2.gz UPTNRNGDGHWFCB-WOJBJXKFSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834403 1105241111 /nfs/dbraw/zinc/24/11/11/1105241111.db2.gz UPTNRNGDGHWFCB-WOJBJXKFSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000507834403 1105241113 /nfs/dbraw/zinc/24/11/13/1105241113.db2.gz UPTNRNGDGHWFCB-WOJBJXKFSA-N 2 1 366.553 4.174 20 0 FIADMP Cc1ccc([C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C2CCC2)cc1 ZINC000427721590 1105258016 /nfs/dbraw/zinc/25/80/16/1105258016.db2.gz IOFQWIAXCUMMSA-JOCHJYFZSA-N 2 1 356.554 4.461 20 0 FIADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000427866886 1105304166 /nfs/dbraw/zinc/30/41/66/1105304166.db2.gz NEDQLHBMZRDUQK-QGZVFWFLSA-N 2 1 355.448 4.189 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000390719036 1106753099 /nfs/dbraw/zinc/75/30/99/1106753099.db2.gz YVPPHYQGSVHOBB-RFQIGKHKSA-N 2 1 354.538 4.119 20 0 FIADMP CCc1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000450940444 1106827833 /nfs/dbraw/zinc/82/78/33/1106827833.db2.gz NNKPASDCCHJINV-OAQYLSRUSA-N 2 1 355.526 4.060 20 0 FIADMP CCc1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000450940444 1106827853 /nfs/dbraw/zinc/82/78/53/1106827853.db2.gz NNKPASDCCHJINV-OAQYLSRUSA-N 2 1 355.526 4.060 20 0 FIADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1Cl ZINC000530513400 1107105956 /nfs/dbraw/zinc/10/59/56/1107105956.db2.gz VRIBOEHVKMVRLI-OAHLLOKOSA-N 2 1 356.695 4.119 20 0 FIADMP CCCCOC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168067981 1107522539 /nfs/dbraw/zinc/52/25/39/1107522539.db2.gz VZBLKZLPMWBVPP-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP CCCCOC(=O)[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168067981 1107522546 /nfs/dbraw/zinc/52/25/46/1107522546.db2.gz VZBLKZLPMWBVPP-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP CCCCOC(=O)[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168067981 1107522551 /nfs/dbraw/zinc/52/25/51/1107522551.db2.gz VZBLKZLPMWBVPP-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP c1csc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCCCC2)c1 ZINC000655727726 1107694838 /nfs/dbraw/zinc/69/48/38/1107694838.db2.gz URGBGEKYTPBOGX-IBGZPJMESA-N 2 1 362.583 4.183 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](c4cccc(F)c4)C3)sc2C1 ZINC000475555703 1107724803 /nfs/dbraw/zinc/72/48/03/1107724803.db2.gz NCYYTPABGNJFPX-WMZOPIPTSA-N 2 1 373.541 4.475 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000655719948 1107788259 /nfs/dbraw/zinc/78/82/59/1107788259.db2.gz XSXVFXLYSCYSCE-MBSDFSHPSA-N 2 1 365.521 4.043 20 0 FIADMP CC[N@H+]1CC[C@@H](NCc2ccc(Oc3cc(C)ccc3C)nc2)[C@@H](C)C1 ZINC000531683152 1108070696 /nfs/dbraw/zinc/07/06/96/1108070696.db2.gz XHNADAZFYWOTJY-AZUAARDMSA-N 2 1 353.510 4.311 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@@H](C)C1 ZINC000531683152 1108070712 /nfs/dbraw/zinc/07/07/12/1108070712.db2.gz XHNADAZFYWOTJY-AZUAARDMSA-N 2 1 353.510 4.311 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000531695130 1108072942 /nfs/dbraw/zinc/07/29/42/1108072942.db2.gz FRRYXWUPARQIOZ-HNNXBMFYSA-N 2 1 353.441 4.488 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCOCC1 ZINC000531724325 1108115939 /nfs/dbraw/zinc/11/59/39/1108115939.db2.gz XZZYDZIFRCMVKE-QFIPXVFZSA-N 2 1 356.510 4.206 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccsc1 ZINC000453070939 1108122278 /nfs/dbraw/zinc/12/22/78/1108122278.db2.gz WANRJKMMESTHHP-OAQYLSRUSA-N 2 1 357.567 4.127 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054023 1108131380 /nfs/dbraw/zinc/13/13/80/1108131380.db2.gz BLJJHOCZKGFGSK-YLJYHZDGSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054023 1108131388 /nfs/dbraw/zinc/13/13/88/1108131388.db2.gz BLJJHOCZKGFGSK-YLJYHZDGSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057857 1108135286 /nfs/dbraw/zinc/13/52/86/1108135286.db2.gz FRQZKPYMDQLKIW-IIMDRIAPSA-N 2 1 352.526 4.157 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057857 1108135305 /nfs/dbraw/zinc/13/53/05/1108135305.db2.gz FRQZKPYMDQLKIW-IIMDRIAPSA-N 2 1 352.526 4.157 20 0 FIADMP CC1CC[NH+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000453063248 1108140555 /nfs/dbraw/zinc/14/05/55/1108140555.db2.gz RRPYDZRJNWGMLX-FQEVSTJZSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000453097625 1108144434 /nfs/dbraw/zinc/14/44/34/1108144434.db2.gz XBHPBHZVEGGXTI-QUCCMNQESA-N 2 1 357.567 4.356 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000453097625 1108144441 /nfs/dbraw/zinc/14/44/41/1108144441.db2.gz XBHPBHZVEGGXTI-QUCCMNQESA-N 2 1 357.567 4.356 20 0 FIADMP CC[C@@H](COCC(F)(F)F)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453249751 1108324864 /nfs/dbraw/zinc/32/48/64/1108324864.db2.gz DDADPVVIIXNTAG-VIQWUECVSA-N 2 1 372.475 4.377 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOCCc2ccccc2)cc1 ZINC000531939406 1108416494 /nfs/dbraw/zinc/41/64/94/1108416494.db2.gz GEVUCNVEUGEGQM-IBGZPJMESA-N 2 1 363.505 4.481 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000531945042 1108424419 /nfs/dbraw/zinc/42/44/19/1108424419.db2.gz GRYPFSFUBXYHOL-DENIHFKCSA-N 2 1 352.522 4.046 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000531945042 1108424428 /nfs/dbraw/zinc/42/44/28/1108424428.db2.gz GRYPFSFUBXYHOL-DENIHFKCSA-N 2 1 352.522 4.046 20 0 FIADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988753 1108472176 /nfs/dbraw/zinc/47/21/76/1108472176.db2.gz GFLRZDFXOZDTRF-WOJBJXKFSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988753 1108472182 /nfs/dbraw/zinc/47/21/82/1108472182.db2.gz GFLRZDFXOZDTRF-WOJBJXKFSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000531988753 1108472196 /nfs/dbraw/zinc/47/21/96/1108472196.db2.gz GFLRZDFXOZDTRF-WOJBJXKFSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000531988753 1108472212 /nfs/dbraw/zinc/47/22/12/1108472212.db2.gz GFLRZDFXOZDTRF-WOJBJXKFSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000531973153 1108484638 /nfs/dbraw/zinc/48/46/38/1108484638.db2.gz WYEDFUKCTBSEMP-IBGZPJMESA-N 3 1 354.542 4.488 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cc1 ZINC000531982893 1108501189 /nfs/dbraw/zinc/50/11/89/1108501189.db2.gz AZGHZESPCGIERX-HZPDHXFCSA-N 2 1 353.441 4.438 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000531990047 1108519482 /nfs/dbraw/zinc/51/94/82/1108519482.db2.gz NERUZNKGLFMYDT-SFHVURJKSA-N 2 1 356.432 4.283 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453394104 1108524512 /nfs/dbraw/zinc/52/45/12/1108524512.db2.gz SAOCYKZUERRACG-AYWYSENESA-N 2 1 370.562 4.468 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453394104 1108524524 /nfs/dbraw/zinc/52/45/24/1108524524.db2.gz SAOCYKZUERRACG-AYWYSENESA-N 2 1 370.562 4.468 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C1CC1 ZINC000453420454 1108544662 /nfs/dbraw/zinc/54/46/62/1108544662.db2.gz ZOHMIRVJPJLFSN-MRXNPFEDSA-N 2 1 357.361 4.426 20 0 FIADMP c1nc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000453593222 1108649689 /nfs/dbraw/zinc/64/96/89/1108649689.db2.gz BNPGVGRMVLELMR-JOCHJYFZSA-N 2 1 353.510 4.331 20 0 FIADMP C[N@@H+](CCCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1CC1 ZINC000453600249 1108651790 /nfs/dbraw/zinc/65/17/90/1108651790.db2.gz SBNRNKAJGPBJEB-UHFFFAOYSA-N 2 1 355.309 4.233 20 0 FIADMP Cc1ccc(-n2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c(C(C)(C)C)n2)cc1 ZINC000532094240 1108653526 /nfs/dbraw/zinc/65/35/26/1108653526.db2.gz MQAFIHRJMGJKMV-SFHVURJKSA-N 2 1 366.553 4.052 20 0 FIADMP Cc1ccc(-n2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c(C(C)(C)C)n2)cc1 ZINC000532094240 1108653527 /nfs/dbraw/zinc/65/35/27/1108653527.db2.gz MQAFIHRJMGJKMV-SFHVURJKSA-N 2 1 366.553 4.052 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207229 1108695069 /nfs/dbraw/zinc/69/50/69/1108695069.db2.gz UZUWLWGAYDECAZ-OPAMFIHVSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207229 1108695079 /nfs/dbraw/zinc/69/50/79/1108695079.db2.gz UZUWLWGAYDECAZ-OPAMFIHVSA-N 2 1 370.924 4.338 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn2)c1 ZINC000532202840 1108708139 /nfs/dbraw/zinc/70/81/39/1108708139.db2.gz SCPLPBZUYLKPKN-CMKODMSKSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn2)c1 ZINC000532202840 1108708143 /nfs/dbraw/zinc/70/81/43/1108708143.db2.gz SCPLPBZUYLKPKN-CMKODMSKSA-N 2 1 353.510 4.309 20 0 FIADMP CSc1cc(Br)ccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000532296636 1108748622 /nfs/dbraw/zinc/74/86/22/1108748622.db2.gz MRYZSZWHSDNGNC-GFCCVEGCSA-N 2 1 368.344 4.102 20 0 FIADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Br)cc1Cl ZINC000446832925 1109355038 /nfs/dbraw/zinc/35/50/38/1109355038.db2.gz QVCJHLXTFIBVBP-OAHLLOKOSA-N 2 1 356.695 4.348 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000525709060 1109488457 /nfs/dbraw/zinc/48/84/57/1109488457.db2.gz IXZBSGZXAIPMRD-WIYYLYMNSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccccc1 ZINC000525709060 1109488460 /nfs/dbraw/zinc/48/84/60/1109488460.db2.gz IXZBSGZXAIPMRD-WIYYLYMNSA-N 2 1 368.521 4.237 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000447532985 1109568715 /nfs/dbraw/zinc/56/87/15/1109568715.db2.gz WEELYXBKZVNACW-SJORKVTESA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000447532985 1109568719 /nfs/dbraw/zinc/56/87/19/1109568719.db2.gz WEELYXBKZVNACW-SJORKVTESA-N 2 1 370.493 4.291 20 0 FIADMP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000447577580 1109593740 /nfs/dbraw/zinc/59/37/40/1109593740.db2.gz IIYLVXGPLIGTLE-WWPVKYPJSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422445 1109792029 /nfs/dbraw/zinc/79/20/29/1109792029.db2.gz XXIIEMIBPMVVNK-SJORKVTESA-N 2 1 350.934 4.352 20 0 FIADMP Fc1ccccc1-c1ncc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051029 1109968505 /nfs/dbraw/zinc/96/85/05/1109968505.db2.gz WLVIAJMRSKFMEG-QRWLVFNGSA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000449051029 1109968511 /nfs/dbraw/zinc/96/85/11/1109968511.db2.gz WLVIAJMRSKFMEG-QRWLVFNGSA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051029 1109968513 /nfs/dbraw/zinc/96/85/13/1109968513.db2.gz WLVIAJMRSKFMEG-QRWLVFNGSA-N 2 1 371.525 4.398 20 0 FIADMP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000449119067 1109979702 /nfs/dbraw/zinc/97/97/02/1109979702.db2.gz WBVCLQLISODLPX-GOSISDBHSA-N 2 1 362.558 4.091 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000449118875 1109980238 /nfs/dbraw/zinc/98/02/38/1109980238.db2.gz ZRLJBMSWLGWVRC-ZWKOTPCHSA-N 2 1 365.606 4.045 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CCC(OC4CCCC4)CC3)C2)cc1 ZINC000449123547 1109980635 /nfs/dbraw/zinc/98/06/35/1109980635.db2.gz NODYKDZIUJKRSN-YNEXMFEJSA-N 2 1 370.581 4.411 20 0 FIADMP CCOCCC[N@H+]1CC[C@H](NCc2cc3ccccc3cc2OC)[C@@H](C)C1 ZINC000449139404 1109984044 /nfs/dbraw/zinc/98/40/44/1109984044.db2.gz KYPIRVMERINKIL-AVRDEDQJSA-N 2 1 370.537 4.075 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@@H](C)C1 ZINC000449139404 1109984047 /nfs/dbraw/zinc/98/40/47/1109984047.db2.gz KYPIRVMERINKIL-AVRDEDQJSA-N 2 1 370.537 4.075 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000449153944 1109986580 /nfs/dbraw/zinc/98/65/80/1109986580.db2.gz GNMOJBLVZCLFOX-MHEOJOEOSA-N 2 1 370.459 4.244 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000449153944 1109986582 /nfs/dbraw/zinc/98/65/82/1109986582.db2.gz GNMOJBLVZCLFOX-MHEOJOEOSA-N 2 1 370.459 4.244 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449169372 1109987609 /nfs/dbraw/zinc/98/76/09/1109987609.db2.gz GRWLWIIIAJYELL-CHWSQXEVSA-N 2 1 351.466 4.051 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449164271 1109990388 /nfs/dbraw/zinc/99/03/88/1109990388.db2.gz PCTFJDGXZPWYJY-CYBMUJFWSA-N 2 1 356.297 4.336 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449402594 1110058715 /nfs/dbraw/zinc/05/87/15/1110058715.db2.gz RUEYPHOOSNMRFA-RDJZCZTQSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449402594 1110058721 /nfs/dbraw/zinc/05/87/21/1110058721.db2.gz RUEYPHOOSNMRFA-RDJZCZTQSA-N 2 1 363.427 4.101 20 0 FIADMP Cc1n[nH]c(C)c1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449412494 1110062619 /nfs/dbraw/zinc/06/26/19/1110062619.db2.gz FSTLJDUOJXAUGU-JOCHJYFZSA-N 2 1 366.553 4.149 20 0 FIADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+]([C@H]4CCO[C@@H](C)C4)CC3)C2)cc1 ZINC001168114904 1110238954 /nfs/dbraw/zinc/23/89/54/1110238954.db2.gz FLAZJRONNWRNIU-UNMCSNQZSA-N 2 1 356.554 4.241 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000538407792 1111129093 /nfs/dbraw/zinc/12/90/93/1111129093.db2.gz KUSCVWRJMRZQJO-WHCFWRGISA-N 2 1 356.554 4.080 20 0 FIADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000538408897 1111129689 /nfs/dbraw/zinc/12/96/89/1111129689.db2.gz XBDXSLSXAYSVTI-SFHVURJKSA-N 2 1 351.332 4.012 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538719284 1111260051 /nfs/dbraw/zinc/26/00/51/1111260051.db2.gz ZEENXFBADUDTOF-SFHVURJKSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538719284 1111260055 /nfs/dbraw/zinc/26/00/55/1111260055.db2.gz ZEENXFBADUDTOF-SFHVURJKSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1cccn2c(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cnc12 ZINC000538725474 1111275893 /nfs/dbraw/zinc/27/58/93/1111275893.db2.gz XVURCERHMOYHIN-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746666 1111278811 /nfs/dbraw/zinc/27/88/11/1111278811.db2.gz RCVVIQFBZDPNJC-IPJJNNNSSA-N 2 1 351.538 4.314 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746666 1111278816 /nfs/dbraw/zinc/27/88/16/1111278816.db2.gz RCVVIQFBZDPNJC-IPJJNNNSSA-N 2 1 351.538 4.314 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000538751138 1111281600 /nfs/dbraw/zinc/28/16/00/1111281600.db2.gz RNKSZLWTGQPCTL-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000539041604 1111395013 /nfs/dbraw/zinc/39/50/13/1111395013.db2.gz LQUNITVZDOPVOM-FPOVZHCZSA-N 3 1 357.586 4.140 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000539068000 1111416843 /nfs/dbraw/zinc/41/68/43/1111416843.db2.gz ZLLGRLDQCWAQCK-QGZVFWFLSA-N 2 1 356.485 4.254 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462036585 1111468776 /nfs/dbraw/zinc/46/87/76/1111468776.db2.gz FIWQYZZGMUFCSH-OAQYLSRUSA-N 2 1 368.521 4.062 20 0 FIADMP C[NH+](C)Cc1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552040618 1111554057 /nfs/dbraw/zinc/55/40/57/1111554057.db2.gz BBIUVJIUDBVDEA-UHFFFAOYSA-N 3 1 365.565 4.281 20 0 FIADMP Cc1nc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)nc2ccccc12 ZINC000552044734 1111555486 /nfs/dbraw/zinc/55/54/86/1111555486.db2.gz LJJVJFHCESVLRT-UHFFFAOYSA-N 2 1 374.532 4.471 20 0 FIADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c2)cc1 ZINC000552047581 1111556964 /nfs/dbraw/zinc/55/69/64/1111556964.db2.gz RFENYWWNEVJWJT-HBMCJLEFSA-N 2 1 356.535 4.386 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552110669 1111580596 /nfs/dbraw/zinc/58/05/96/1111580596.db2.gz ZAPFDWHKJMQKNQ-WNJRYGEDSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552110669 1111580599 /nfs/dbraw/zinc/58/05/99/1111580599.db2.gz ZAPFDWHKJMQKNQ-WNJRYGEDSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552110669 1111580601 /nfs/dbraw/zinc/58/06/01/1111580601.db2.gz ZAPFDWHKJMQKNQ-WNJRYGEDSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552110669 1111580604 /nfs/dbraw/zinc/58/06/04/1111580604.db2.gz ZAPFDWHKJMQKNQ-WNJRYGEDSA-N 2 1 350.453 4.109 20 0 FIADMP CC(C)(C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCC1 ZINC000477917387 1111608833 /nfs/dbraw/zinc/60/88/33/1111608833.db2.gz NXHMFUOOMUJDKY-KRWDZBQOSA-N 2 1 355.448 4.189 20 0 FIADMP COc1ccccc1OCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552227530 1111625524 /nfs/dbraw/zinc/62/55/24/1111625524.db2.gz DYPNOPGNJXDBRK-UHFFFAOYSA-N 2 1 368.521 4.107 20 0 FIADMP Cc1ccccc1[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552249730 1111628668 /nfs/dbraw/zinc/62/86/68/1111628668.db2.gz IPQPXEWDYHXIDO-YDPRHXJPSA-N 2 1 352.522 4.061 20 0 FIADMP CC[NH+]1CCC(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552245353 1111636020 /nfs/dbraw/zinc/63/60/20/1111636020.db2.gz XNAPZBPQZZKDMS-UHFFFAOYSA-N 3 1 357.586 4.141 20 0 FIADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000552273557 1111655278 /nfs/dbraw/zinc/65/52/78/1111655278.db2.gz MBKXJYAKXAKPJL-UHFFFAOYSA-N 2 1 368.496 4.322 20 0 FIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000552832231 1111818851 /nfs/dbraw/zinc/81/88/51/1111818851.db2.gz XWXSYIVHVGODFQ-UHFFFAOYSA-N 2 1 371.569 4.119 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479332033 1111994349 /nfs/dbraw/zinc/99/43/49/1111994349.db2.gz SFMRNBJMCPLHRW-KNQAVFIVSA-N 2 1 366.553 4.494 20 0 FIADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(Br)ccc21 ZINC000479352911 1111996670 /nfs/dbraw/zinc/99/66/70/1111996670.db2.gz RLOVTMXCBKMFKX-GOSISDBHSA-N 2 1 363.343 4.388 20 0 FIADMP C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000479356136 1111997746 /nfs/dbraw/zinc/99/77/46/1111997746.db2.gz WCQPHQKXTKQBLA-SCLBCKFNSA-N 2 1 351.332 4.146 20 0 FIADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367205 1112001855 /nfs/dbraw/zinc/00/18/55/1112001855.db2.gz WEEBUOHCQHLBOQ-SCLBCKFNSA-N 2 1 363.343 4.245 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000479396245 1112012687 /nfs/dbraw/zinc/01/26/87/1112012687.db2.gz VBGADQANYJCDLY-HKBOAZHASA-N 2 1 366.496 4.019 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480162459 1112309054 /nfs/dbraw/zinc/30/90/54/1112309054.db2.gz BRJDGEWZYXAQGN-BBWFWOEESA-N 2 1 373.928 4.195 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2nccn2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000480306437 1112379467 /nfs/dbraw/zinc/37/94/67/1112379467.db2.gz HYIYWLDHEZHDID-IFMALSPDSA-N 2 1 374.532 4.263 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667671071 1112423746 /nfs/dbraw/zinc/42/37/46/1112423746.db2.gz GSBIPVRXJVCUIN-LJQANCHMSA-N 2 1 355.551 4.426 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000480604877 1112504936 /nfs/dbraw/zinc/50/49/36/1112504936.db2.gz GCOFDOOYFDFTKW-HOTGVXAUSA-N 2 1 352.494 4.148 20 0 FIADMP CCOCCOCc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000480604243 1112505813 /nfs/dbraw/zinc/50/58/13/1112505813.db2.gz FAUUYMHWDJRPHR-UHFFFAOYSA-N 2 1 374.569 4.126 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000480643853 1112518700 /nfs/dbraw/zinc/51/87/00/1112518700.db2.gz SYHKYGRDOOUQCB-QZTJIDSGSA-N 2 1 372.532 4.483 20 0 FIADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000554880640 1112549731 /nfs/dbraw/zinc/54/97/31/1112549731.db2.gz MTCZWZPGIVBCGU-UHFFFAOYSA-N 2 1 354.523 4.481 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000554880640 1112549734 /nfs/dbraw/zinc/54/97/34/1112549734.db2.gz MTCZWZPGIVBCGU-UHFFFAOYSA-N 2 1 354.523 4.481 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000554880640 1112549737 /nfs/dbraw/zinc/54/97/37/1112549737.db2.gz MTCZWZPGIVBCGU-UHFFFAOYSA-N 2 1 354.523 4.481 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745814 1112582877 /nfs/dbraw/zinc/58/28/77/1112582877.db2.gz OWNJKWRUYOTLID-DFQSSKMNSA-N 2 1 352.526 4.075 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745814 1112582879 /nfs/dbraw/zinc/58/28/79/1112582879.db2.gz OWNJKWRUYOTLID-DFQSSKMNSA-N 2 1 352.526 4.075 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000481241243 1112823574 /nfs/dbraw/zinc/82/35/74/1112823574.db2.gz JZRKZDHLFZPZDN-DNVCBOLYSA-N 2 1 373.368 4.263 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542805 1112973791 /nfs/dbraw/zinc/97/37/91/1112973791.db2.gz DEDGWAJFFYCYLA-YADARESESA-N 2 1 364.533 4.465 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542805 1112973794 /nfs/dbraw/zinc/97/37/94/1112973794.db2.gz DEDGWAJFFYCYLA-YADARESESA-N 2 1 364.533 4.465 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554045 1112976245 /nfs/dbraw/zinc/97/62/45/1112976245.db2.gz WVOUNFVULUGPNK-MBSDFSHPSA-N 2 1 364.533 4.420 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554045 1112976250 /nfs/dbraw/zinc/97/62/50/1112976250.db2.gz WVOUNFVULUGPNK-MBSDFSHPSA-N 2 1 364.533 4.420 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000065931974 1112987620 /nfs/dbraw/zinc/98/76/20/1112987620.db2.gz SBCFFXULRJIEEU-IYBDPMFKSA-N 2 1 358.448 4.085 20 0 FIADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000481651076 1113012305 /nfs/dbraw/zinc/01/23/05/1113012305.db2.gz CUUKVQZVYMEAGN-YESZJQIVSA-N 2 1 372.475 4.115 20 0 FIADMP FC(F)(F)Oc1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c2c1 ZINC000899874704 1113037830 /nfs/dbraw/zinc/03/78/30/1113037830.db2.gz JFZQEDPRACKMBC-OLZOCXBDSA-N 2 1 351.372 4.172 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556050758 1113126788 /nfs/dbraw/zinc/12/67/88/1113126788.db2.gz KKPTVVSFSHBPND-USCONSEESA-N 2 1 351.494 4.131 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556050758 1113126791 /nfs/dbraw/zinc/12/67/91/1113126791.db2.gz KKPTVVSFSHBPND-USCONSEESA-N 2 1 351.494 4.131 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482117622 1113174507 /nfs/dbraw/zinc/17/45/07/1113174507.db2.gz AIJLJPXTNFNWGG-DENIHFKCSA-N 2 1 364.533 4.227 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2cccc3ccccc32)[C@@H](C)C1 ZINC000482137651 1113179654 /nfs/dbraw/zinc/17/96/54/1113179654.db2.gz MZJZHNIEVFQSDI-GBXCKJPGSA-N 2 1 368.565 4.499 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000482121234 1113181321 /nfs/dbraw/zinc/18/13/21/1113181321.db2.gz MYAFVYRWYWVLGK-MRXNPFEDSA-N 2 1 356.470 4.121 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1Cl ZINC000482161281 1113188010 /nfs/dbraw/zinc/18/80/10/1113188010.db2.gz DNVKSHOHSHZDHD-RYRKJORJSA-N 2 1 365.949 4.157 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000482236558 1113206258 /nfs/dbraw/zinc/20/62/58/1113206258.db2.gz AGVCTHUZYULKNS-YLJYHZDGSA-N 2 1 364.961 4.098 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244269 1113208389 /nfs/dbraw/zinc/20/83/89/1113208389.db2.gz XANXPFAUKKAMLY-CVDCTZTESA-N 2 1 364.533 4.054 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482244269 1113208390 /nfs/dbraw/zinc/20/83/90/1113208390.db2.gz XANXPFAUKKAMLY-CVDCTZTESA-N 2 1 364.533 4.054 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000482334313 1113228096 /nfs/dbraw/zinc/22/80/96/1113228096.db2.gz NSAZRZFUJIJXDC-HTAPYJJXSA-N 2 1 371.569 4.320 20 0 FIADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2cccs2)cc1 ZINC000482361521 1113232914 /nfs/dbraw/zinc/23/29/14/1113232914.db2.gz UTZVNPDCPVMBNC-GOSISDBHSA-N 2 1 371.594 4.339 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453352 1113264641 /nfs/dbraw/zinc/26/46/41/1113264641.db2.gz VFFMNLQTNAKZRZ-GOTSBHOMSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCc2ccc(C)cc21)c1ccccc1 ZINC000482453352 1113264643 /nfs/dbraw/zinc/26/46/43/1113264643.db2.gz VFFMNLQTNAKZRZ-GOTSBHOMSA-N 2 1 352.522 4.282 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000668063606 1113282322 /nfs/dbraw/zinc/28/23/22/1113282322.db2.gz PQBJIOINIUAXAN-OAHLLOKOSA-N 2 1 351.288 4.111 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000668063606 1113282326 /nfs/dbraw/zinc/28/23/26/1113282326.db2.gz PQBJIOINIUAXAN-OAHLLOKOSA-N 2 1 351.288 4.111 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4ccccc4C[C@@H]3C)CC2)cs1 ZINC000482866977 1113381427 /nfs/dbraw/zinc/38/14/27/1113381427.db2.gz MZTBCIUGPJFSQR-AOMKIAJQSA-N 2 1 369.578 4.441 20 0 FIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000668169271 1113404974 /nfs/dbraw/zinc/40/49/74/1113404974.db2.gz MDVPRPNXSDZOLB-IBGZPJMESA-N 2 1 369.484 4.177 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)c(F)c(C)c2)[C@H](C)C1 ZINC000483151708 1113455865 /nfs/dbraw/zinc/45/58/65/1113455865.db2.gz HHCVUOXTHHWUBR-GGPKGHCWSA-N 2 1 350.522 4.230 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176224 1113458011 /nfs/dbraw/zinc/45/80/11/1113458011.db2.gz NCKTUSXZLUZQHI-NZSAHSFTSA-N 2 1 372.475 4.349 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176224 1113458013 /nfs/dbraw/zinc/45/80/13/1113458013.db2.gz NCKTUSXZLUZQHI-NZSAHSFTSA-N 2 1 372.475 4.349 20 0 FIADMP CCC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccc(OC)cc1 ZINC000483168555 1113460087 /nfs/dbraw/zinc/46/00/87/1113460087.db2.gz MICUXTIYXBAOBU-OAQYLSRUSA-N 2 1 353.510 4.498 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)c2C1 ZINC000483208074 1113465611 /nfs/dbraw/zinc/46/56/11/1113465611.db2.gz YCSKLXDMKFFARC-SFHVURJKSA-N 2 1 355.526 4.005 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)c2C1 ZINC000483208074 1113465613 /nfs/dbraw/zinc/46/56/13/1113465613.db2.gz YCSKLXDMKFFARC-SFHVURJKSA-N 2 1 355.526 4.005 20 0 FIADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2C1 ZINC000483208074 1113465617 /nfs/dbraw/zinc/46/56/17/1113465617.db2.gz YCSKLXDMKFFARC-SFHVURJKSA-N 2 1 355.526 4.005 20 0 FIADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c2C1 ZINC000483208074 1113465620 /nfs/dbraw/zinc/46/56/20/1113465620.db2.gz YCSKLXDMKFFARC-SFHVURJKSA-N 2 1 355.526 4.005 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccsc3Cl)CC2)CC1 ZINC000483271476 1113477427 /nfs/dbraw/zinc/47/74/27/1113477427.db2.gz YFTIXVBFNHGCBM-UHFFFAOYSA-N 3 1 370.006 4.030 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccsc3Cl)CC2)CC1 ZINC000483271476 1113477431 /nfs/dbraw/zinc/47/74/31/1113477431.db2.gz YFTIXVBFNHGCBM-UHFFFAOYSA-N 3 1 370.006 4.030 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000486532976 1113589652 /nfs/dbraw/zinc/58/96/52/1113589652.db2.gz GZAUMMNTMSSFNW-IEBWSBKVSA-N 2 1 357.567 4.342 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000486532976 1113589654 /nfs/dbraw/zinc/58/96/54/1113589654.db2.gz GZAUMMNTMSSFNW-IEBWSBKVSA-N 2 1 357.567 4.342 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(Br)ccc2OC)CC1 ZINC000488269317 1113894655 /nfs/dbraw/zinc/89/46/55/1113894655.db2.gz QBWDTQRMPAATBJ-UHFFFAOYSA-N 2 1 369.347 4.012 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)C[C@H](C)O1 ZINC000488349224 1113913294 /nfs/dbraw/zinc/91/32/94/1113913294.db2.gz BXHRHWCMKXUNHX-CALCHBBNSA-N 2 1 373.516 4.018 20 0 FIADMP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488342743 1113915092 /nfs/dbraw/zinc/91/50/92/1113915092.db2.gz IVELUCSTNBBHQJ-OAHLLOKOSA-N 2 1 374.916 4.259 20 0 FIADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488524936 1113946328 /nfs/dbraw/zinc/94/63/28/1113946328.db2.gz CZEGEYHODRUMIO-UHFFFAOYSA-N 2 1 352.457 4.050 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489524339 1114124366 /nfs/dbraw/zinc/12/43/66/1114124366.db2.gz VCLGGPAQBCGLGD-KGLIPLIRSA-N 2 1 357.311 4.359 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168593 1114228350 /nfs/dbraw/zinc/22/83/50/1114228350.db2.gz XROWYGDDJJTBRX-VGSWGCGISA-N 2 1 356.485 4.245 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000490168593 1114228353 /nfs/dbraw/zinc/22/83/53/1114228353.db2.gz XROWYGDDJJTBRX-VGSWGCGISA-N 2 1 356.485 4.245 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)[C@H](C)C2 ZINC000490191053 1114234819 /nfs/dbraw/zinc/23/48/19/1114234819.db2.gz PECHFMCTLKEJDG-YDIMBITNSA-N 2 1 364.533 4.239 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)[C@H](C)C2 ZINC000490191053 1114234824 /nfs/dbraw/zinc/23/48/24/1114234824.db2.gz PECHFMCTLKEJDG-YDIMBITNSA-N 2 1 364.533 4.239 20 0 FIADMP c1cn(-c2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000570964241 1114418711 /nfs/dbraw/zinc/41/87/11/1114418711.db2.gz JKIACURFNFTYKX-JOCHJYFZSA-N 2 1 372.516 4.159 20 0 FIADMP c1cn(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000570964241 1114418714 /nfs/dbraw/zinc/41/87/14/1114418714.db2.gz JKIACURFNFTYKX-JOCHJYFZSA-N 2 1 372.516 4.159 20 0 FIADMP CCCCOc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1 ZINC001212144937 1114418811 /nfs/dbraw/zinc/41/88/11/1114418811.db2.gz HOHLQXMZLRNVOJ-SFHVURJKSA-N 2 1 360.502 4.084 20 0 FIADMP CC[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)OCCc2ccccc21 ZINC000571485032 1114468145 /nfs/dbraw/zinc/46/81/45/1114468145.db2.gz CPZIFPVGNHNGNQ-DEOSSOPVSA-N 2 1 364.533 4.119 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000571575059 1114478480 /nfs/dbraw/zinc/47/84/80/1114478480.db2.gz KPRLZIBUZOYWKM-UHFFFAOYSA-N 2 1 354.473 4.472 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000572053377 1114596122 /nfs/dbraw/zinc/59/61/22/1114596122.db2.gz PGQVNHOUHZNDTF-SIKLNZKXSA-N 2 1 364.533 4.370 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000572053377 1114596125 /nfs/dbraw/zinc/59/61/25/1114596125.db2.gz PGQVNHOUHZNDTF-SIKLNZKXSA-N 2 1 364.533 4.370 20 0 FIADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709501 1114601905 /nfs/dbraw/zinc/60/19/05/1114601905.db2.gz BZTILJMRGZXTHX-OWCLPIDISA-N 2 1 368.924 4.361 20 0 FIADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709501 1114601908 /nfs/dbraw/zinc/60/19/08/1114601908.db2.gz BZTILJMRGZXTHX-OWCLPIDISA-N 2 1 368.924 4.361 20 0 FIADMP COc1ccc(Br)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000589836153 1114846933 /nfs/dbraw/zinc/84/69/33/1114846933.db2.gz HLERECGZZDPKQJ-OAHLLOKOSA-N 2 1 369.347 4.059 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001168400289 1115036799 /nfs/dbraw/zinc/03/67/99/1115036799.db2.gz LOBYWYBKIJHKFM-AYVPJYCDSA-N 2 1 364.508 4.183 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841884 1115108265 /nfs/dbraw/zinc/10/82/65/1115108265.db2.gz BJGSFYBEOLHHCO-VQIMIIECSA-N 2 1 361.530 4.338 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841884 1115108268 /nfs/dbraw/zinc/10/82/68/1115108268.db2.gz BJGSFYBEOLHHCO-VQIMIIECSA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841884 1115108274 /nfs/dbraw/zinc/10/82/74/1115108274.db2.gz BJGSFYBEOLHHCO-VQIMIIECSA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841884 1115108278 /nfs/dbraw/zinc/10/82/78/1115108278.db2.gz BJGSFYBEOLHHCO-VQIMIIECSA-N 2 1 361.530 4.338 20 0 FIADMP CSC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000591582306 1115109408 /nfs/dbraw/zinc/10/94/08/1115109408.db2.gz FVILLRLTOXNCEO-HZPDHXFCSA-N 2 1 358.473 4.374 20 0 FIADMP CC(C)C(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000573587969 1115144080 /nfs/dbraw/zinc/14/40/80/1115144080.db2.gz DARPMCDXBOKOFB-UHFFFAOYSA-N 2 1 357.542 4.168 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168402752 1115341076 /nfs/dbraw/zinc/34/10/76/1115341076.db2.gz GTPQLMDLBXBKMO-MQNAVGNWSA-N 2 1 352.497 4.326 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001168402752 1115341080 /nfs/dbraw/zinc/34/10/80/1115341080.db2.gz GTPQLMDLBXBKMO-MQNAVGNWSA-N 2 1 352.497 4.326 20 0 FIADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCCC2)cc1 ZINC000594502257 1115451560 /nfs/dbraw/zinc/45/15/60/1115451560.db2.gz XDQCJGUMVNXJLR-JOCHJYFZSA-N 2 1 356.554 4.023 20 0 FIADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000595016049 1115504021 /nfs/dbraw/zinc/50/40/21/1115504021.db2.gz GPDIXFTZMWZYRW-LBFURVHYSA-N 2 1 372.553 4.140 20 0 FIADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000595008626 1115508075 /nfs/dbraw/zinc/50/80/75/1115508075.db2.gz PBCPSDNLRVZELH-QZTJIDSGSA-N 2 1 360.542 4.170 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000574916268 1115514040 /nfs/dbraw/zinc/51/40/40/1115514040.db2.gz IGDLZGFKQRXLQV-FQEVSTJZSA-N 2 1 368.496 4.164 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000574916268 1115514046 /nfs/dbraw/zinc/51/40/46/1115514046.db2.gz IGDLZGFKQRXLQV-FQEVSTJZSA-N 2 1 368.496 4.164 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OCc2ccccn2)c1 ZINC000574868624 1115515281 /nfs/dbraw/zinc/51/52/81/1115515281.db2.gz JKUFTIAXIRIOSC-PBNUPURSSA-N 2 1 359.473 4.456 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1C ZINC000597051035 1115638219 /nfs/dbraw/zinc/63/82/19/1115638219.db2.gz FPRDEQAOQFHLIF-UHFFFAOYSA-N 2 1 370.493 4.040 20 0 FIADMP CC(C)(C)[N@H+]1CCCN(c2ccnc3c(Br)cccc23)CC1 ZINC000601513492 1115643555 /nfs/dbraw/zinc/64/35/55/1115643555.db2.gz AKFZVEXZYVPTPY-UHFFFAOYSA-N 2 1 362.315 4.308 20 0 FIADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669703970 1115831368 /nfs/dbraw/zinc/83/13/68/1115831368.db2.gz ZUTIUHNIKAXKHO-USWKJHDZSA-N 2 1 356.554 4.082 20 0 FIADMP Oc1ccc([C@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000607151092 1116003628 /nfs/dbraw/zinc/00/36/28/1116003628.db2.gz WRPCOOIFTQVOEI-DHIUTWEWSA-N 2 1 366.505 4.462 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000608061244 1116079662 /nfs/dbraw/zinc/07/96/62/1116079662.db2.gz JBWNQVXVKUBLBM-SIKLNZKXSA-N 2 1 374.532 4.420 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000608061628 1116079738 /nfs/dbraw/zinc/07/97/38/1116079738.db2.gz UQPMIINDMOBWFG-GDBMZVCRSA-N 2 1 354.922 4.100 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000608061628 1116079740 /nfs/dbraw/zinc/07/97/40/1116079740.db2.gz UQPMIINDMOBWFG-GDBMZVCRSA-N 2 1 354.922 4.100 20 0 FIADMP COCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000534219672 1116172459 /nfs/dbraw/zinc/17/24/59/1116172459.db2.gz AGOCOYYJZXUPQU-HNNXBMFYSA-N 2 1 369.431 4.310 20 0 FIADMP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000534219672 1116172460 /nfs/dbraw/zinc/17/24/60/1116172460.db2.gz AGOCOYYJZXUPQU-HNNXBMFYSA-N 2 1 369.431 4.310 20 0 FIADMP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000534452302 1116200279 /nfs/dbraw/zinc/20/02/79/1116200279.db2.gz JKUFZCPOBWGPKI-QYBDOPJKSA-N 2 1 372.578 4.233 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4ccc(Cl)cc43)CC2)nc(C)[nH+]1 ZINC000534973654 1116256889 /nfs/dbraw/zinc/25/68/89/1116256889.db2.gz PKDRIJUCNIBKJQ-HXUWFJFHSA-N 2 1 370.928 4.383 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509438 1116313819 /nfs/dbraw/zinc/31/38/19/1116313819.db2.gz SHXQKIBYBULFRR-BDJLRTHQSA-N 2 1 357.723 4.021 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000539740710 1116374188 /nfs/dbraw/zinc/37/41/88/1116374188.db2.gz HZFBRHANWCXYAY-KRWDZBQOSA-N 2 1 364.493 4.294 20 0 FIADMP CC(C)(C)n1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000539825349 1116384252 /nfs/dbraw/zinc/38/42/52/1116384252.db2.gz SJNZGOHYVDWHJF-UHFFFAOYSA-N 2 1 366.553 4.126 20 0 FIADMP CC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862870 1116392560 /nfs/dbraw/zinc/39/25/60/1116392560.db2.gz MXLYVTMMFGLLES-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@H+](Cc1cc(OC)cc(OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862870 1116392563 /nfs/dbraw/zinc/39/25/63/1116392563.db2.gz MXLYVTMMFGLLES-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cc(OC)cc(OC)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539862870 1116392565 /nfs/dbraw/zinc/39/25/65/1116392565.db2.gz MXLYVTMMFGLLES-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cc(OC)cc(OC)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539862870 1116392567 /nfs/dbraw/zinc/39/25/67/1116392567.db2.gz MXLYVTMMFGLLES-HXUWFJFHSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1)CC1CC1 ZINC000540050508 1117842386 /nfs/dbraw/zinc/84/23/86/1117842386.db2.gz SZCTWYGAWUFXCC-INIZCTEOSA-N 2 1 362.562 4.262 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1)CC1CC1 ZINC000540050508 1117842395 /nfs/dbraw/zinc/84/23/95/1117842395.db2.gz SZCTWYGAWUFXCC-INIZCTEOSA-N 2 1 362.562 4.262 20 0 FIADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000540055233 1117845230 /nfs/dbraw/zinc/84/52/30/1117845230.db2.gz GKGKALHHKIRLGG-FXAWDEMLSA-N 2 1 371.525 4.290 20 0 FIADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000540055233 1117845235 /nfs/dbraw/zinc/84/52/35/1117845235.db2.gz GKGKALHHKIRLGG-FXAWDEMLSA-N 2 1 371.525 4.290 20 0 FIADMP COc1cccc(C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccccc2)c1 ZINC000540166509 1117910555 /nfs/dbraw/zinc/91/05/55/1117910555.db2.gz FKCQYVRWKOQPMD-JPYJTQIMSA-N 2 1 363.505 4.410 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074795 1117958921 /nfs/dbraw/zinc/95/89/21/1117958921.db2.gz IZJFYACBMKLKRG-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074795 1117958924 /nfs/dbraw/zinc/95/89/24/1117958924.db2.gz IZJFYACBMKLKRG-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077614 1117959986 /nfs/dbraw/zinc/95/99/86/1117959986.db2.gz KCLHMNLQZFDYND-ZJSXRUAMSA-N 2 1 366.549 4.279 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCOCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077614 1117959987 /nfs/dbraw/zinc/95/99/87/1117959987.db2.gz KCLHMNLQZFDYND-ZJSXRUAMSA-N 2 1 366.549 4.279 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000463113272 1117969698 /nfs/dbraw/zinc/96/96/98/1117969698.db2.gz BIIXSBUWKDGXCU-IEBWSBKVSA-N 2 1 357.567 4.452 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000463113272 1117969700 /nfs/dbraw/zinc/96/97/00/1117969700.db2.gz BIIXSBUWKDGXCU-IEBWSBKVSA-N 2 1 357.567 4.452 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000463112886 1117969859 /nfs/dbraw/zinc/96/98/59/1117969859.db2.gz WXQAXLJAUFBSIJ-QFIPXVFZSA-N 2 1 368.496 4.336 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000463129691 1117977022 /nfs/dbraw/zinc/97/70/22/1117977022.db2.gz VKDDYTYFACZSEX-UHFFFAOYSA-N 2 1 360.542 4.462 20 0 FIADMP C[C@@H]1C[C@H](NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130736 1117978613 /nfs/dbraw/zinc/97/86/13/1117978613.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@@H]1C[C@H](NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130736 1117978618 /nfs/dbraw/zinc/97/86/18/1117978618.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@@H]1C[C@H](NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130736 1117978619 /nfs/dbraw/zinc/97/86/19/1117978619.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C[C@H](C)O1 ZINC000540320792 1117983123 /nfs/dbraw/zinc/98/31/23/1117983123.db2.gz NBCVVPQVYKWUJS-GQIGUUNPSA-N 2 1 350.934 4.270 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOC3CCCCC3)CC2)cc1 ZINC000463138635 1117986565 /nfs/dbraw/zinc/98/65/65/1117986565.db2.gz APFNDZDHLKGORP-UHFFFAOYSA-N 2 1 362.533 4.162 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000463205761 1118020460 /nfs/dbraw/zinc/02/04/60/1118020460.db2.gz NQRUDZGAULHGIB-HXUWFJFHSA-N 2 1 374.532 4.230 20 0 FIADMP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463207985 1118021357 /nfs/dbraw/zinc/02/13/57/1118021357.db2.gz VAQSRFDPHDPOJB-NHCUHLMSSA-N 2 1 364.574 4.487 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408558 1118038257 /nfs/dbraw/zinc/03/82/57/1118038257.db2.gz MCWHGMVKJYZPLL-GAJHUEQPSA-N 2 1 368.496 4.214 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408558 1118038263 /nfs/dbraw/zinc/03/82/63/1118038263.db2.gz MCWHGMVKJYZPLL-GAJHUEQPSA-N 2 1 368.496 4.214 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408561 1118038555 /nfs/dbraw/zinc/03/85/55/1118038555.db2.gz MCWHGMVKJYZPLL-UZUQRXQVSA-N 2 1 368.496 4.214 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408561 1118038563 /nfs/dbraw/zinc/03/85/63/1118038563.db2.gz MCWHGMVKJYZPLL-UZUQRXQVSA-N 2 1 368.496 4.214 20 0 FIADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000540419300 1118045061 /nfs/dbraw/zinc/04/50/61/1118045061.db2.gz WFINIWQLHAMGEQ-IIYDPXPESA-N 2 1 369.372 4.163 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C2CCCC2)o1 ZINC000540493146 1118090706 /nfs/dbraw/zinc/09/07/06/1118090706.db2.gz WHMQDTWVSSJBNL-RZUBCFFCSA-N 2 1 360.542 4.177 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000540494463 1118092234 /nfs/dbraw/zinc/09/22/34/1118092234.db2.gz BFGAAUDVQRMJTO-YLJYHZDGSA-N 2 1 368.525 4.103 20 0 FIADMP CC(C)(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000540595909 1118139665 /nfs/dbraw/zinc/13/96/65/1118139665.db2.gz GOWQKXJDFXPEAW-IBGZPJMESA-N 2 1 352.950 4.254 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658650 1118177765 /nfs/dbraw/zinc/17/77/65/1118177765.db2.gz PTPJRFYWFZNSJX-MZKRTTBSSA-N 2 1 370.537 4.487 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1C(C)(C)C ZINC000540989821 1118339950 /nfs/dbraw/zinc/33/99/50/1118339950.db2.gz XEKBIARIFZMRBR-GHTZIAJQSA-N 2 1 366.549 4.402 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc2c(s1)CCC2 ZINC000540990768 1118340940 /nfs/dbraw/zinc/34/09/40/1118340940.db2.gz RRLGANRYPHADLG-JXFKEZNVSA-N 2 1 370.562 4.044 20 0 FIADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000464054886 1118426875 /nfs/dbraw/zinc/42/68/75/1118426875.db2.gz HHNGZHUNEOIINE-RTWAWAEBSA-N 2 1 356.554 4.193 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C3CCC(C(F)(F)F)CC3)CCCC2)CC1 ZINC000464091801 1118436150 /nfs/dbraw/zinc/43/61/50/1118436150.db2.gz TUFPIYMQYVIONL-UHFFFAOYSA-N 2 1 362.480 4.121 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000541547505 1118550979 /nfs/dbraw/zinc/55/09/79/1118550979.db2.gz YURLBWLNHMNERE-QFIPXVFZSA-N 2 1 363.505 4.023 20 0 FIADMP C[C@H](CCCCO)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670161067 1118749556 /nfs/dbraw/zinc/74/95/56/1118749556.db2.gz GHFAJUQERLZYAH-XZBHBCHMSA-N 2 1 364.961 4.395 20 0 FIADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168442525 1118988251 /nfs/dbraw/zinc/98/82/51/1118988251.db2.gz VWPLVJJWKFJUTQ-XXBNENTESA-N 2 1 352.497 4.137 20 0 FIADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168442525 1118988255 /nfs/dbraw/zinc/98/82/55/1118988255.db2.gz VWPLVJJWKFJUTQ-XXBNENTESA-N 2 1 352.497 4.137 20 0 FIADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168442525 1118988256 /nfs/dbraw/zinc/98/82/56/1118988256.db2.gz VWPLVJJWKFJUTQ-XXBNENTESA-N 2 1 352.497 4.137 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492044282 1119006728 /nfs/dbraw/zinc/00/67/28/1119006728.db2.gz KIOVEDSHXWDICX-NRSPTQNISA-N 2 1 367.512 4.047 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000492044282 1119006731 /nfs/dbraw/zinc/00/67/31/1119006731.db2.gz KIOVEDSHXWDICX-NRSPTQNISA-N 2 1 367.512 4.047 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195737 1119044042 /nfs/dbraw/zinc/04/40/42/1119044042.db2.gz XBTMHHZLEYEKBP-ZHDKGAKHSA-N 2 1 370.562 4.393 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195737 1119044046 /nfs/dbraw/zinc/04/40/46/1119044046.db2.gz XBTMHHZLEYEKBP-ZHDKGAKHSA-N 2 1 370.562 4.393 20 0 FIADMP C[C@@H](NCc1coc(-c2cccs2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462998 1119098345 /nfs/dbraw/zinc/09/83/45/1119098345.db2.gz HRXMWOYZGFQBQA-AEFFLSMTSA-N 2 1 367.518 4.403 20 0 FIADMP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492598588 1119141185 /nfs/dbraw/zinc/14/11/85/1119141185.db2.gz AYVPPUHJHVWOHV-GGAORHGYSA-N 3 1 357.586 4.143 20 0 FIADMP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492598588 1119141189 /nfs/dbraw/zinc/14/11/89/1119141189.db2.gz AYVPPUHJHVWOHV-GGAORHGYSA-N 2 1 357.586 4.143 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311491842 1119376716 /nfs/dbraw/zinc/37/67/16/1119376716.db2.gz CFPPSZIMPIFVME-KPDCDPCYSA-N 2 1 350.506 4.270 20 0 FIADMP CCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000178322684 1119384007 /nfs/dbraw/zinc/38/40/07/1119384007.db2.gz YEYITWURVBVMIE-QGZVFWFLSA-N 2 1 368.525 4.202 20 0 FIADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)c1cccc(OC)c1 ZINC000542464527 1119384910 /nfs/dbraw/zinc/38/49/10/1119384910.db2.gz ZOBGVRKOZSROQK-QGZVFWFLSA-N 2 1 350.466 4.167 20 0 FIADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892242 1119393423 /nfs/dbraw/zinc/39/34/23/1119393423.db2.gz YPKVVOBZLJVWSK-FCHUYYIVSA-N 2 1 356.554 4.228 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916682 1119506441 /nfs/dbraw/zinc/50/64/41/1119506441.db2.gz MCLNFWTYHCWWTE-YOEHRIQHSA-N 2 1 351.332 4.066 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000493893771 1119507059 /nfs/dbraw/zinc/50/70/59/1119507059.db2.gz IZMIJFGNFSYOLM-HKEJHHQYSA-N 2 1 370.562 4.468 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000493893771 1119507065 /nfs/dbraw/zinc/50/70/65/1119507065.db2.gz IZMIJFGNFSYOLM-HKEJHHQYSA-N 2 1 370.562 4.468 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896957 1119507618 /nfs/dbraw/zinc/50/76/18/1119507618.db2.gz KLQWYWAEUYOEKC-XXBNENTESA-N 2 1 352.522 4.325 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000493926970 1119510193 /nfs/dbraw/zinc/51/01/93/1119510193.db2.gz PTBVNQKIONQDBQ-ZZTDLJEGSA-N 2 1 352.522 4.263 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000493926970 1119510197 /nfs/dbraw/zinc/51/01/97/1119510197.db2.gz PTBVNQKIONQDBQ-ZZTDLJEGSA-N 2 1 352.522 4.263 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000493952230 1119514908 /nfs/dbraw/zinc/51/49/08/1119514908.db2.gz IVYVCDQFENMIML-VFNWGFHPSA-N 2 1 353.441 4.186 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050723 1119530534 /nfs/dbraw/zinc/53/05/34/1119530534.db2.gz RMUAMOOMDAGPMU-AEFFLSMTSA-N 2 1 372.475 4.351 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050723 1119530537 /nfs/dbraw/zinc/53/05/37/1119530537.db2.gz RMUAMOOMDAGPMU-AEFFLSMTSA-N 2 1 372.475 4.351 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000542475638 1119597872 /nfs/dbraw/zinc/59/78/72/1119597872.db2.gz CIVRBELCZMIYEO-IAAVTCLWSA-N 2 1 370.459 4.245 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000542475638 1119597874 /nfs/dbraw/zinc/59/78/74/1119597874.db2.gz CIVRBELCZMIYEO-IAAVTCLWSA-N 2 1 370.459 4.245 20 0 FIADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000185293680 1119652705 /nfs/dbraw/zinc/65/27/05/1119652705.db2.gz CGTIXQBIHUJQBE-UHFFFAOYSA-N 2 1 352.507 4.020 20 0 FIADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000185293680 1119652708 /nfs/dbraw/zinc/65/27/08/1119652708.db2.gz CGTIXQBIHUJQBE-UHFFFAOYSA-N 2 1 352.507 4.020 20 0 FIADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000186138968 1119708382 /nfs/dbraw/zinc/70/83/82/1119708382.db2.gz MJAZGQJRAYLJLE-LSDHHAIUSA-N 2 1 350.553 4.381 20 0 FIADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000186138968 1119708386 /nfs/dbraw/zinc/70/83/86/1119708386.db2.gz MJAZGQJRAYLJLE-LSDHHAIUSA-N 2 1 350.553 4.381 20 0 FIADMP CCCC[NH+]1CCC([NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187169945 1119770913 /nfs/dbraw/zinc/77/09/13/1119770913.db2.gz ZEPWJKOLYDWOTM-UHFFFAOYSA-N 2 1 353.510 4.111 20 0 FIADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168465482 1119857379 /nfs/dbraw/zinc/85/73/79/1119857379.db2.gz SJGYJKOEPRWQSW-SFHVURJKSA-N 2 1 370.512 4.062 20 0 FIADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001168465834 1119914536 /nfs/dbraw/zinc/91/45/36/1119914536.db2.gz XZVNISSTNRYHRG-KDBCOVHDSA-N 2 1 372.487 4.333 20 0 FIADMP FC(F)(F)C1CCC(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192918721 1120090729 /nfs/dbraw/zinc/09/07/29/1120090729.db2.gz LOMIJWLJOGXIHK-CUYAVPTFSA-N 2 1 354.460 4.467 20 0 FIADMP CCO[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000193432028 1120143184 /nfs/dbraw/zinc/14/31/84/1120143184.db2.gz VVCPEZYKFHZWJF-QHCPKHFHSA-N 2 1 370.512 4.200 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169121 1120246599 /nfs/dbraw/zinc/24/65/99/1120246599.db2.gz AFRACIQKOKADJR-SYNHAJSKSA-N 2 1 350.934 4.270 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169121 1120246602 /nfs/dbraw/zinc/24/66/02/1120246602.db2.gz AFRACIQKOKADJR-SYNHAJSKSA-N 2 1 350.934 4.270 20 0 FIADMP COc1ccc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ccccc2Cl)cc1 ZINC000494986869 1120412598 /nfs/dbraw/zinc/41/25/98/1120412598.db2.gz GVFDBVHIAWWRGJ-NRFANRHFSA-N 2 1 356.897 4.290 20 0 FIADMP COc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc2Cl)cc1 ZINC000494986869 1120412603 /nfs/dbraw/zinc/41/26/03/1120412603.db2.gz GVFDBVHIAWWRGJ-NRFANRHFSA-N 2 1 356.897 4.290 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCOCC3)oc2c1 ZINC000495253783 1120585336 /nfs/dbraw/zinc/58/53/36/1120585336.db2.gz NROWGYDNUCXIRL-SFHVURJKSA-N 2 1 364.489 4.424 20 0 FIADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001168484336 1120639474 /nfs/dbraw/zinc/63/94/74/1120639474.db2.gz FTULFKXKIUTUDM-IBGZPJMESA-N 2 1 367.512 4.140 20 0 FIADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001168488672 1120858273 /nfs/dbraw/zinc/85/82/73/1120858273.db2.gz SAMXSECKSBYZPL-GOSISDBHSA-N 2 1 356.485 4.338 20 0 FIADMP c1ccc(CCCOc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000236738624 1120969490 /nfs/dbraw/zinc/96/94/90/1120969490.db2.gz UBJZCOHDWUOXNH-UHFFFAOYSA-N 2 1 364.533 4.415 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000236870938 1120970764 /nfs/dbraw/zinc/97/07/64/1120970764.db2.gz MOJJSHHXNIZAPX-OAQYLSRUSA-N 2 1 374.532 4.030 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OCC ZINC000237017827 1120972618 /nfs/dbraw/zinc/97/26/18/1120972618.db2.gz RZYWSPKYUOZVMA-UHFFFAOYSA-N 2 1 368.949 4.490 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000237570600 1120979924 /nfs/dbraw/zinc/97/99/24/1120979924.db2.gz RKFWCIKIYIUBOH-MRXNPFEDSA-N 2 1 374.960 4.023 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000315702662 1120993481 /nfs/dbraw/zinc/99/34/81/1120993481.db2.gz VUNQWAJKUGBOMY-CQSZACIVSA-N 2 1 369.347 4.373 20 0 FIADMP Clc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000762927340 1120998577 /nfs/dbraw/zinc/99/85/77/1120998577.db2.gz PXQISUWQOXQOMP-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624290148 1121020367 /nfs/dbraw/zinc/02/03/67/1121020367.db2.gz WRGHBNKAQCZIRF-KRWDZBQOSA-N 2 1 359.341 4.269 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073743 1121107037 /nfs/dbraw/zinc/10/70/37/1121107037.db2.gz RAVDLHVHFJSGOQ-AEFFLSMTSA-N 2 1 368.550 4.225 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073743 1121107044 /nfs/dbraw/zinc/10/70/44/1121107044.db2.gz RAVDLHVHFJSGOQ-AEFFLSMTSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073743 1121107048 /nfs/dbraw/zinc/10/70/48/1121107048.db2.gz RAVDLHVHFJSGOQ-AEFFLSMTSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073743 1121107053 /nfs/dbraw/zinc/10/70/53/1121107053.db2.gz RAVDLHVHFJSGOQ-AEFFLSMTSA-N 2 1 368.550 4.225 20 0 FIADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2)s1 ZINC000542668146 1121163013 /nfs/dbraw/zinc/16/30/13/1121163013.db2.gz FRFQGTOUWIPVOE-GOSISDBHSA-N 2 1 357.567 4.093 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000763414915 1121580696 /nfs/dbraw/zinc/58/06/96/1121580696.db2.gz NWTGIDLHSNZODA-GGILJOMBSA-N 2 1 370.512 4.138 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000763414915 1121580701 /nfs/dbraw/zinc/58/07/01/1121580701.db2.gz NWTGIDLHSNZODA-GGILJOMBSA-N 2 1 370.512 4.138 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763416166 1121580719 /nfs/dbraw/zinc/58/07/19/1121580719.db2.gz URZIVNLVNOQQDM-GGILJOMBSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763416166 1121580723 /nfs/dbraw/zinc/58/07/23/1121580723.db2.gz URZIVNLVNOQQDM-GGILJOMBSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763416171 1121580876 /nfs/dbraw/zinc/58/08/76/1121580876.db2.gz URZIVNLVNOQQDM-PNQHUFSXSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763416171 1121580880 /nfs/dbraw/zinc/58/08/80/1121580880.db2.gz URZIVNLVNOQQDM-PNQHUFSXSA-N 2 1 370.512 4.280 20 0 FIADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(C)c1OC ZINC000671741412 1121638230 /nfs/dbraw/zinc/63/82/30/1121638230.db2.gz LZKYFLNPQIPMJA-MSOLQXFVSA-N 2 1 362.558 4.187 20 0 FIADMP COc1nc(C)cc(C)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671745672 1121661328 /nfs/dbraw/zinc/66/13/28/1121661328.db2.gz JQMSPPVOTMRHLI-UHFFFAOYSA-N 2 1 367.537 4.240 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000671746330 1121664102 /nfs/dbraw/zinc/66/41/02/1121664102.db2.gz PFMUDYLMBDYMLV-AJTFCVKESA-N 2 1 350.506 4.412 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)ccn2)cc1 ZINC000124975073 1121736806 /nfs/dbraw/zinc/73/68/06/1121736806.db2.gz GWWJHDDIFDZZRJ-UHFFFAOYSA-N 2 1 369.509 4.235 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000125184512 1121754420 /nfs/dbraw/zinc/75/44/20/1121754420.db2.gz DJJKBPLOJDFKOO-IBGZPJMESA-N 2 1 365.525 4.392 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000125184512 1121754424 /nfs/dbraw/zinc/75/44/24/1121754424.db2.gz DJJKBPLOJDFKOO-IBGZPJMESA-N 2 1 365.525 4.392 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1(C)C ZINC001649095865 1121754955 /nfs/dbraw/zinc/75/49/55/1121754955.db2.gz IBWWOABDZNRWBG-WOJBJXKFSA-N 2 1 363.977 4.157 20 0 FIADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000067507177 1121780241 /nfs/dbraw/zinc/78/02/41/1121780241.db2.gz JGZQZNHRENAFAQ-QGZVFWFLSA-N 2 1 373.928 4.134 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000067507177 1121780252 /nfs/dbraw/zinc/78/02/52/1121780252.db2.gz JGZQZNHRENAFAQ-QGZVFWFLSA-N 2 1 373.928 4.134 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000126708728 1121978544 /nfs/dbraw/zinc/97/85/44/1121978544.db2.gz WWCXFMGDMZQEGI-NWDGAFQWSA-N 2 1 354.267 4.080 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cc(OC)c1OC ZINC000127452597 1122099268 /nfs/dbraw/zinc/09/92/68/1122099268.db2.gz RKNFEZFDHFLZRW-INIZCTEOSA-N 2 1 364.530 4.018 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc(OC)c1OC ZINC000127452597 1122099277 /nfs/dbraw/zinc/09/92/77/1122099277.db2.gz RKNFEZFDHFLZRW-INIZCTEOSA-N 2 1 364.530 4.018 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166377639 1122102719 /nfs/dbraw/zinc/10/27/19/1122102719.db2.gz FRJNNHZYJGURMV-ZVDOUQERSA-N 2 1 354.469 4.162 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166377639 1122102724 /nfs/dbraw/zinc/10/27/24/1122102724.db2.gz FRJNNHZYJGURMV-ZVDOUQERSA-N 2 1 354.469 4.162 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000765815695 1122124210 /nfs/dbraw/zinc/12/42/10/1122124210.db2.gz KXBQBDZFUCTQQC-ZPMCFJSWSA-N 2 1 372.940 4.048 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccccc3Br)CC2)[nH+]1 ZINC000128108740 1122191963 /nfs/dbraw/zinc/19/19/63/1122191963.db2.gz NHLOHUYIXNAXHY-HNNXBMFYSA-N 2 1 374.326 4.472 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)CC2)[nH+]1 ZINC000128184509 1122203238 /nfs/dbraw/zinc/20/32/38/1122203238.db2.gz GHWITWLKAFGKMA-FQEVSTJZSA-N 2 1 363.505 4.395 20 0 FIADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000497525400 1122265639 /nfs/dbraw/zinc/26/56/39/1122265639.db2.gz RZAMYCRCXRCBJU-LJQANCHMSA-N 2 1 354.542 4.216 20 0 FIADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000497658542 1122341279 /nfs/dbraw/zinc/34/12/79/1122341279.db2.gz ZHQFCQUOOYPEGP-ROUUACIJSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000497658542 1122341281 /nfs/dbraw/zinc/34/12/81/1122341281.db2.gz ZHQFCQUOOYPEGP-ROUUACIJSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000497658542 1122341282 /nfs/dbraw/zinc/34/12/82/1122341282.db2.gz ZHQFCQUOOYPEGP-ROUUACIJSA-N 2 1 372.557 4.007 20 0 FIADMP OC(C[NH+]1CCC[C@H]1c1ccccc1)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000497760288 1122395321 /nfs/dbraw/zinc/39/53/21/1122395321.db2.gz XWBGXDDJPWYLQB-GOTSBHOMSA-N 2 1 350.506 4.022 20 0 FIADMP OC(C[NH+]1CCC[C@H]1c1ccccc1)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000497760288 1122395326 /nfs/dbraw/zinc/39/53/26/1122395326.db2.gz XWBGXDDJPWYLQB-GOTSBHOMSA-N 2 1 350.506 4.022 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@H]1c1ccccc1 ZINC000556061253 1122633076 /nfs/dbraw/zinc/63/30/76/1122633076.db2.gz UCXPRJZWZGFYOA-PKTZIBPZSA-N 2 1 364.533 4.160 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@H]1c1ccccc1 ZINC000556061253 1122633080 /nfs/dbraw/zinc/63/30/80/1122633080.db2.gz UCXPRJZWZGFYOA-PKTZIBPZSA-N 2 1 364.533 4.160 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000556076900 1122639031 /nfs/dbraw/zinc/63/90/31/1122639031.db2.gz RFFVNRJDRHDTBW-MOPGFXCFSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000556076900 1122639032 /nfs/dbraw/zinc/63/90/32/1122639032.db2.gz RFFVNRJDRHDTBW-MOPGFXCFSA-N 2 1 359.311 4.374 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556104640 1122657843 /nfs/dbraw/zinc/65/78/43/1122657843.db2.gz FQUPPNIMBZZSNO-PKTZIBPZSA-N 3 1 357.586 4.170 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556104640 1122657851 /nfs/dbraw/zinc/65/78/51/1122657851.db2.gz FQUPPNIMBZZSNO-PKTZIBPZSA-N 3 1 357.586 4.170 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000556119841 1122670241 /nfs/dbraw/zinc/67/02/41/1122670241.db2.gz DXCHKHLGHAFOPH-RJGXRXQPSA-N 2 1 366.549 4.214 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000556119841 1122670242 /nfs/dbraw/zinc/67/02/42/1122670242.db2.gz DXCHKHLGHAFOPH-RJGXRXQPSA-N 2 1 366.549 4.214 20 0 FIADMP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3o2)C[C@H](C)O1 ZINC000069833353 1122690250 /nfs/dbraw/zinc/69/02/50/1122690250.db2.gz FJCMWEHCXBNFBN-ROUUACIJSA-N 2 1 364.489 4.332 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234328 1122751523 /nfs/dbraw/zinc/75/15/23/1122751523.db2.gz WRGZNKUTMNQGIG-FCHUYYIVSA-N 2 1 368.565 4.228 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556238444 1122755921 /nfs/dbraw/zinc/75/59/21/1122755921.db2.gz KLZFARYDUYCHNY-AEFFLSMTSA-N 2 1 364.411 4.352 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556238444 1122755923 /nfs/dbraw/zinc/75/59/23/1122755923.db2.gz KLZFARYDUYCHNY-AEFFLSMTSA-N 2 1 364.411 4.352 20 0 FIADMP CC(C)c1nnc([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000556262795 1122771682 /nfs/dbraw/zinc/77/16/82/1122771682.db2.gz XLPJVVYTWKTGOX-IVMQYODDSA-N 2 1 355.530 4.022 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)cc1 ZINC000131343853 1123043854 /nfs/dbraw/zinc/04/38/54/1123043854.db2.gz DXWNBXHAZFMWCH-INIZCTEOSA-N 2 1 362.477 4.215 20 0 FIADMP Cc1sc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)nc1-c1ccccc1 ZINC000556887167 1123164710 /nfs/dbraw/zinc/16/47/10/1123164710.db2.gz RXDDFFCFEUTNPK-QRVBRYPASA-N 2 1 355.551 4.123 20 0 FIADMP CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000556889469 1123174922 /nfs/dbraw/zinc/17/49/22/1123174922.db2.gz HSFPGQKGNJHIOK-NTKDMRAZSA-N 2 1 366.549 4.303 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556890427 1123176760 /nfs/dbraw/zinc/17/67/60/1123176760.db2.gz LKHDNBQLJQVCJZ-DGZMEDPXSA-N 2 1 370.581 4.472 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499144741 1123287496 /nfs/dbraw/zinc/28/74/96/1123287496.db2.gz XXLDIIADNBBAQY-CUPZBTRVSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499144741 1123287498 /nfs/dbraw/zinc/28/74/98/1123287498.db2.gz XXLDIIADNBBAQY-CUPZBTRVSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144741 1123287499 /nfs/dbraw/zinc/28/74/99/1123287499.db2.gz XXLDIIADNBBAQY-CUPZBTRVSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499144741 1123287501 /nfs/dbraw/zinc/28/75/01/1123287501.db2.gz XXLDIIADNBBAQY-CUPZBTRVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499144741 1123287503 /nfs/dbraw/zinc/28/75/03/1123287503.db2.gz XXLDIIADNBBAQY-CUPZBTRVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499144741 1123287505 /nfs/dbraw/zinc/28/75/05/1123287505.db2.gz XXLDIIADNBBAQY-CUPZBTRVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144741 1123287506 /nfs/dbraw/zinc/28/75/06/1123287506.db2.gz XXLDIIADNBBAQY-CUPZBTRVSA-N 3 1 369.597 4.140 20 0 FIADMP COc1cc(C)ccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499176224 1123307897 /nfs/dbraw/zinc/30/78/97/1123307897.db2.gz LYACUTCXZIRUNH-KOUNCHBCSA-N 2 1 350.506 4.289 20 0 FIADMP COc1cc(C)ccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499176224 1123307901 /nfs/dbraw/zinc/30/79/01/1123307901.db2.gz LYACUTCXZIRUNH-KOUNCHBCSA-N 2 1 350.506 4.289 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499196136 1123315778 /nfs/dbraw/zinc/31/57/78/1123315778.db2.gz RGVQFYGICYSSBU-VLVHOKLOSA-N 2 1 362.517 4.468 20 0 FIADMP C[NH+](C)CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217780 1123333209 /nfs/dbraw/zinc/33/32/09/1123333209.db2.gz WONJHVRJFMLZTB-LRSLUSHPSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217780 1123333213 /nfs/dbraw/zinc/33/32/13/1123333213.db2.gz WONJHVRJFMLZTB-LRSLUSHPSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217780 1123333219 /nfs/dbraw/zinc/33/32/19/1123333219.db2.gz WONJHVRJFMLZTB-LRSLUSHPSA-N 3 1 357.586 4.138 20 0 FIADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499231287 1123340475 /nfs/dbraw/zinc/34/04/75/1123340475.db2.gz UTCPZCBFWQFIAD-TWHAJKEOSA-N 2 1 364.533 4.411 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCCSc2ccccc2Br)CC[N@H+]1C ZINC000133419582 1123486180 /nfs/dbraw/zinc/48/61/80/1123486180.db2.gz VQMSTUMUBOUYCH-HUUCEWRRSA-N 2 1 371.388 4.394 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)C3)cc1 ZINC000655788835 1123827284 /nfs/dbraw/zinc/82/72/84/1123827284.db2.gz PYZDMZDNWMKKNY-KCSJKLDESA-N 2 1 354.538 4.119 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000245528802 1124109978 /nfs/dbraw/zinc/10/99/78/1124109978.db2.gz GEKYWHCESGIEIE-FPOVZHCZSA-N 2 1 372.553 4.040 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ncc(Br)s1 ZINC000245653357 1124168661 /nfs/dbraw/zinc/16/86/61/1124168661.db2.gz KNWKIAUXKVSKDR-QWHCGFSZSA-N 2 1 360.365 4.068 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000245654046 1124168880 /nfs/dbraw/zinc/16/88/80/1124168880.db2.gz DDMDBHLDRFSOFR-DKUWSORSSA-N 2 1 356.554 4.369 20 0 FIADMP CC(C)(C)C[N@@H+](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC001236456743 1124183990 /nfs/dbraw/zinc/18/39/90/1124183990.db2.gz GPBZOISHOVJETJ-UHFFFAOYSA-N 2 1 357.311 4.188 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245724524 1124221054 /nfs/dbraw/zinc/22/10/54/1124221054.db2.gz PGNWBGPJQALPEF-HLRQEUIKSA-N 2 1 350.506 4.108 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245733514 1124228034 /nfs/dbraw/zinc/22/80/34/1124228034.db2.gz QOBJSBLGUCDSKF-BXXSPATCSA-N 2 1 350.506 4.159 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000245844692 1124262317 /nfs/dbraw/zinc/26/23/17/1124262317.db2.gz DLLGKJWGMBTUPU-UWJYYQICSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000245844692 1124262324 /nfs/dbraw/zinc/26/23/24/1124262324.db2.gz DLLGKJWGMBTUPU-UWJYYQICSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1F ZINC000245852349 1124263739 /nfs/dbraw/zinc/26/37/39/1124263739.db2.gz GOUXMEQDWBYYNZ-IXDOHACOSA-N 2 1 374.475 4.425 20 0 FIADMP COc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2Cl)cc1 ZINC000245885411 1124271976 /nfs/dbraw/zinc/27/19/76/1124271976.db2.gz BPQJUGROGFRRJI-HRAATJIYSA-N 2 1 358.913 4.369 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000180516755 1124359016 /nfs/dbraw/zinc/35/90/16/1124359016.db2.gz FSWPFGKMRLGFQN-JKSUJKDBSA-N 2 1 372.513 4.135 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000542846554 1124442012 /nfs/dbraw/zinc/44/20/12/1124442012.db2.gz MMANULMQIAYGLM-PGRDOPGGSA-N 2 1 370.512 4.250 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1SC ZINC000246508067 1124519827 /nfs/dbraw/zinc/51/98/27/1124519827.db2.gz TXCKMGQWZMOVDN-SJORKVTESA-N 2 1 350.572 4.436 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000057844197 1124537840 /nfs/dbraw/zinc/53/78/40/1124537840.db2.gz PACGRPOZSBWJJO-UHFFFAOYSA-N 2 1 355.526 4.316 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000057844197 1124537843 /nfs/dbraw/zinc/53/78/43/1124537843.db2.gz PACGRPOZSBWJJO-UHFFFAOYSA-N 2 1 355.526 4.316 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000246895559 1124571991 /nfs/dbraw/zinc/57/19/91/1124571991.db2.gz FPHNUWGZWQTXSC-ZYSHUDEJSA-N 2 1 371.491 4.161 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Cl)cc1Cl ZINC000247133577 1124593676 /nfs/dbraw/zinc/59/36/76/1124593676.db2.gz AURQHWGWENRWIS-OLZOCXBDSA-N 2 1 363.304 4.020 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](C)C1 ZINC000247149338 1124594453 /nfs/dbraw/zinc/59/44/53/1124594453.db2.gz WYMMBVAFZRFSGE-LAUBAEHRSA-N 2 1 357.542 4.025 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](C)C1 ZINC000247149338 1124594455 /nfs/dbraw/zinc/59/44/55/1124594455.db2.gz WYMMBVAFZRFSGE-LAUBAEHRSA-N 2 1 357.542 4.025 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2sc(C(C)C)nc2C)[C@@H](C)C1 ZINC000248150220 1124746971 /nfs/dbraw/zinc/74/69/71/1124746971.db2.gz QQYWSAHJQLCONK-BQFCYCMXSA-N 2 1 367.603 4.363 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2sc(C(C)C)nc2C)[C@@H](C)C1 ZINC000248150220 1124746978 /nfs/dbraw/zinc/74/69/78/1124746978.db2.gz QQYWSAHJQLCONK-BQFCYCMXSA-N 2 1 367.603 4.363 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000248430227 1124767542 /nfs/dbraw/zinc/76/75/42/1124767542.db2.gz BNAPPOPQOKEYRJ-BJKOFHAPSA-N 2 1 364.533 4.193 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000248435649 1124768363 /nfs/dbraw/zinc/76/83/63/1124768363.db2.gz FUCQTZGHMKIBJE-UGKGYDQZSA-N 2 1 352.522 4.111 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248440097 1124769509 /nfs/dbraw/zinc/76/95/09/1124769509.db2.gz JGOCCKQKYYTVDN-GOTSBHOMSA-N 2 1 352.522 4.130 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248440098 1124769602 /nfs/dbraw/zinc/76/96/02/1124769602.db2.gz JGOCCKQKYYTVDN-XZOQPEGZSA-N 2 1 352.522 4.130 20 0 FIADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2ccccc21 ZINC000248449846 1124770194 /nfs/dbraw/zinc/77/01/94/1124770194.db2.gz ORFGSMNJIORACB-NZQKXSOJSA-N 2 1 364.533 4.156 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248456350 1124773591 /nfs/dbraw/zinc/77/35/91/1124773591.db2.gz SFDTZJHHWAXYGU-KKSFZXQISA-N 2 1 358.913 4.148 20 0 FIADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248462770 1124773915 /nfs/dbraw/zinc/77/39/15/1124773915.db2.gz YMOPGSXFRQDYQE-FDDCHVKYSA-N 2 1 352.522 4.227 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@H]1c1cccs1 ZINC000248665853 1124800494 /nfs/dbraw/zinc/80/04/94/1124800494.db2.gz MPTCGDYRKNHFTC-KNQAVFIVSA-N 2 1 370.562 4.288 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@H]1c1cccs1 ZINC000248665853 1124800504 /nfs/dbraw/zinc/80/05/04/1124800504.db2.gz MPTCGDYRKNHFTC-KNQAVFIVSA-N 2 1 370.562 4.288 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000248739040 1124808180 /nfs/dbraw/zinc/80/81/80/1124808180.db2.gz PQUFWWGVJLYTOD-OMZCVMJRSA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000248739040 1124808186 /nfs/dbraw/zinc/80/81/86/1124808186.db2.gz PQUFWWGVJLYTOD-OMZCVMJRSA-N 2 1 360.567 4.068 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000249406118 1124857257 /nfs/dbraw/zinc/85/72/57/1124857257.db2.gz WQCGBUBQRQRLEI-ATZDWAIDSA-N 2 1 370.459 4.118 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000249406118 1124857259 /nfs/dbraw/zinc/85/72/59/1124857259.db2.gz WQCGBUBQRQRLEI-ATZDWAIDSA-N 2 1 370.459 4.118 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000249415350 1124857321 /nfs/dbraw/zinc/85/73/21/1124857321.db2.gz GHFACCINHKTJSK-AVRDEDQJSA-N 2 1 374.569 4.041 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@@H](C)C1 ZINC000249415350 1124857334 /nfs/dbraw/zinc/85/73/34/1124857334.db2.gz GHFACCINHKTJSK-AVRDEDQJSA-N 2 1 374.569 4.041 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](CC)c2nc(C)cs2)CC1 ZINC000088715611 1124882313 /nfs/dbraw/zinc/88/23/13/1124882313.db2.gz NCSYPQWSHMWCER-LJQANCHMSA-N 2 1 372.582 4.224 20 0 FIADMP CC(C[NH+](C)[C@H](C)c1cccc(O)c1)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000251129395 1124980846 /nfs/dbraw/zinc/98/08/46/1124980846.db2.gz TTXPSQAFDMWTCM-QZTJIDSGSA-N 2 1 356.510 4.420 20 0 FIADMP CC(C[NH+](C)[C@H](C)c1cccc(O)c1)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000251129395 1124980852 /nfs/dbraw/zinc/98/08/52/1124980852.db2.gz TTXPSQAFDMWTCM-QZTJIDSGSA-N 2 1 356.510 4.420 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ccccc3)C(C)C)CC2)oc1C ZINC000091337345 1125066243 /nfs/dbraw/zinc/06/62/43/1125066243.db2.gz KPAKFPILZYDNES-JOCHJYFZSA-N 2 1 355.526 4.490 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000618283294 1125131808 /nfs/dbraw/zinc/13/18/08/1125131808.db2.gz GVXNMXXYRKXOMD-OAQYLSRUSA-N 2 1 369.578 4.015 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000672619390 1125204057 /nfs/dbraw/zinc/20/40/57/1125204057.db2.gz MJJFCCUEQRUQHS-ZNLUXHQJSA-N 2 1 372.940 4.059 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000672619390 1125204062 /nfs/dbraw/zinc/20/40/62/1125204062.db2.gz MJJFCCUEQRUQHS-ZNLUXHQJSA-N 2 1 372.940 4.059 20 0 FIADMP C[NH+](C/C=C\C[N@@H+](C)CCc1ccc(F)cc1)CCc1ccc(F)cc1 ZINC000618985803 1125411542 /nfs/dbraw/zinc/41/15/42/1125411542.db2.gz RRABUDUZNDEWQD-ARJAWSKDSA-N 2 1 358.476 4.170 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643736 1125438464 /nfs/dbraw/zinc/43/84/64/1125438464.db2.gz INSGGPVNAFWPMT-IFMALSPDSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643736 1125438467 /nfs/dbraw/zinc/43/84/67/1125438467.db2.gz INSGGPVNAFWPMT-IFMALSPDSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643736 1125438480 /nfs/dbraw/zinc/43/84/80/1125438480.db2.gz INSGGPVNAFWPMT-IFMALSPDSA-N 2 1 357.501 4.189 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000121690834 568108806 /nfs/dbraw/zinc/10/88/06/568108806.db2.gz DZTSLZPKOYANGD-IUKKYPGJSA-N 2 1 365.521 4.349 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000121690834 568108807 /nfs/dbraw/zinc/10/88/07/568108807.db2.gz DZTSLZPKOYANGD-IUKKYPGJSA-N 2 1 365.521 4.349 20 0 FIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCCC[NH2+]3)CC2)nc1 ZINC001164386911 718803654 /nfs/dbraw/zinc/80/36/54/718803654.db2.gz HBRVIUNMKOSDTN-HXUWFJFHSA-N 2 1 356.558 4.131 20 0 FIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165049184 721978016 /nfs/dbraw/zinc/97/80/16/721978016.db2.gz ICDNWORHQYDHTF-FCHUYYIVSA-N 2 1 370.585 4.473 20 0 FIADMP CCc1nc(C[NH2+][C@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)cs1 ZINC000182897723 1125677576 /nfs/dbraw/zinc/67/75/76/1125677576.db2.gz PHNVVXNXOOSSOD-OAHLLOKOSA-N 2 1 361.555 4.407 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000619772559 1125700381 /nfs/dbraw/zinc/70/03/81/1125700381.db2.gz OKPSYQRAHUQCFB-IBGZPJMESA-N 2 1 356.485 4.226 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000153250463 1125763691 /nfs/dbraw/zinc/76/36/91/1125763691.db2.gz CMGGJVPCPNWVKN-FQEVSTJZSA-N 2 1 374.532 4.230 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000579860507 1080158824 /nfs/dbraw/zinc/15/88/24/1080158824.db2.gz KASILWJUYFPOKE-LBPRGKRZSA-N 2 1 362.271 4.126 20 0 FIADMP FC(F)Oc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095431 1080442015 /nfs/dbraw/zinc/44/20/15/1080442015.db2.gz LMJFEDNMSMZSBM-IIBYNOLFSA-N 2 1 372.459 4.451 20 0 FIADMP FC(F)Oc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095431 1080442016 /nfs/dbraw/zinc/44/20/16/1080442016.db2.gz LMJFEDNMSMZSBM-IIBYNOLFSA-N 2 1 372.459 4.451 20 0 FIADMP FC(F)Oc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095411 1080442118 /nfs/dbraw/zinc/44/21/18/1080442118.db2.gz LMJFEDNMSMZSBM-IERDGZPVSA-N 2 1 372.459 4.451 20 0 FIADMP FC(F)Oc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095411 1080442119 /nfs/dbraw/zinc/44/21/19/1080442119.db2.gz LMJFEDNMSMZSBM-IERDGZPVSA-N 2 1 372.459 4.451 20 0 FIADMP COCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC001648791907 1080496692 /nfs/dbraw/zinc/49/66/92/1080496692.db2.gz DLZPGQXVOABHQI-IBGZPJMESA-N 2 1 352.522 4.355 20 0 FIADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)CC3 ZINC000180564792 1080519509 /nfs/dbraw/zinc/51/95/09/1080519509.db2.gz MBFDBUJBHFNZGQ-IBGZPJMESA-N 2 1 374.532 4.296 20 0 FIADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001167138934 1080684198 /nfs/dbraw/zinc/68/41/98/1080684198.db2.gz TUCBOMLPYUJXJY-BJKOFHAPSA-N 2 1 364.533 4.423 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000109786974 1080751300 /nfs/dbraw/zinc/75/13/00/1080751300.db2.gz GOFGTOVWWTUSIL-UHFFFAOYSA-N 2 1 372.340 4.128 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2-c2ccnn2C)c1 ZINC000510246209 1080868160 /nfs/dbraw/zinc/86/81/60/1080868160.db2.gz WQVNHDKYNUTGHM-UHFFFAOYSA-N 2 1 362.521 4.217 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cn4ccnc4s3)cc2)C1 ZINC001648808198 1081111961 /nfs/dbraw/zinc/11/19/61/1081111961.db2.gz DWEGYHAEONEBSH-CALCHBBNSA-N 2 1 368.550 4.164 20 0 FIADMP CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655696352 1081122819 /nfs/dbraw/zinc/12/28/19/1081122819.db2.gz GCBSVWHTDPHOGB-AUSIDOKSSA-N 2 1 374.569 4.028 20 0 FIADMP c1cc(OC2CCCCC2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655710055 1081129311 /nfs/dbraw/zinc/12/93/11/1081129311.db2.gz AFDCYRXJOBCSSF-QHCPKHFHSA-N 2 1 372.553 4.131 20 0 FIADMP c1csc([C@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655731697 1081150561 /nfs/dbraw/zinc/15/05/61/1081150561.db2.gz ZZVZMFZYDLDNKQ-RTWAWAEBSA-N 2 1 370.562 4.265 20 0 FIADMP Clc1cc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655770573 1081179794 /nfs/dbraw/zinc/17/97/94/1081179794.db2.gz LVJVLLUMFDPVED-GDBMZVCRSA-N 2 1 354.947 4.012 20 0 FIADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC(F)F)cc1C ZINC001648814363 1081217875 /nfs/dbraw/zinc/21/78/75/1081217875.db2.gz JNIOEKTXVKIEDJ-HUUCEWRRSA-N 2 1 354.485 4.362 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000121442807 1081242367 /nfs/dbraw/zinc/24/23/67/1081242367.db2.gz GUMSFFLPVPHRCO-NWDGAFQWSA-N 2 1 354.267 4.080 20 0 FIADMP COc1ccc(C[N@H+](CCCc2c[nH+]cn2C)C2CCCCC2)cc1OC ZINC000579974282 1081328610 /nfs/dbraw/zinc/32/86/10/1081328610.db2.gz AVXMMXGPGZVXDH-UHFFFAOYSA-N 2 1 371.525 4.205 20 0 FIADMP COc1ccc(C[N@@H+](CCCc2c[nH+]cn2C)C2CCCCC2)cc1OC ZINC000579974282 1081328616 /nfs/dbraw/zinc/32/86/16/1081328616.db2.gz AVXMMXGPGZVXDH-UHFFFAOYSA-N 2 1 371.525 4.205 20 0 FIADMP COc1ccc(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690481 1081388134 /nfs/dbraw/zinc/38/81/34/1081388134.db2.gz JHYXAMNNBMFIKD-KOUNCHBCSA-N 2 1 350.506 4.289 20 0 FIADMP COc1ccc(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690481 1081388137 /nfs/dbraw/zinc/38/81/37/1081388137.db2.gz JHYXAMNNBMFIKD-KOUNCHBCSA-N 2 1 350.506 4.289 20 0 FIADMP C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001167337093 1081470179 /nfs/dbraw/zinc/47/01/79/1081470179.db2.gz GZGCQRXXCLRXHP-OYDLWJJNSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@@H]1CCCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337093 1081470181 /nfs/dbraw/zinc/47/01/81/1081470181.db2.gz GZGCQRXXCLRXHP-OYDLWJJNSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@@H]1CCCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337093 1081470182 /nfs/dbraw/zinc/47/01/82/1081470182.db2.gz GZGCQRXXCLRXHP-OYDLWJJNSA-N 2 1 366.549 4.138 20 0 FIADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000312646488 1081508327 /nfs/dbraw/zinc/50/83/27/1081508327.db2.gz ITXAAHYQAJJCIJ-FQEVSTJZSA-N 2 1 368.569 4.110 20 0 FIADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C(C)(C)C)n1 ZINC000312646488 1081508329 /nfs/dbraw/zinc/50/83/29/1081508329.db2.gz ITXAAHYQAJJCIJ-FQEVSTJZSA-N 2 1 368.569 4.110 20 0 FIADMP c1nc(C2CC2)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000683774703 1081539531 /nfs/dbraw/zinc/53/95/31/1081539531.db2.gz IVKPMDJKVPSACU-XUVXKRRUSA-N 2 1 367.562 4.411 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000683780280 1081547792 /nfs/dbraw/zinc/54/77/92/1081547792.db2.gz DYGFPELQCLVVQC-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816221 1081619034 /nfs/dbraw/zinc/61/90/34/1081619034.db2.gz NBZSUICJKYXKQM-RRPUWOKSSA-N 2 1 352.522 4.264 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c(F)cn1 ZINC000580205854 1081747298 /nfs/dbraw/zinc/74/72/98/1081747298.db2.gz GMARPERVOJILMG-KRWDZBQOSA-N 2 1 371.500 4.312 20 0 FIADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245634 1081771925 /nfs/dbraw/zinc/77/19/25/1081771925.db2.gz XOMKYDQZIMBHMN-NHYWBVRUSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245634 1081771932 /nfs/dbraw/zinc/77/19/32/1081771932.db2.gz XOMKYDQZIMBHMN-NHYWBVRUSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245634 1081771937 /nfs/dbraw/zinc/77/19/37/1081771937.db2.gz XOMKYDQZIMBHMN-NHYWBVRUSA-N 2 1 368.365 4.496 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000580245634 1081771942 /nfs/dbraw/zinc/77/19/42/1081771942.db2.gz XOMKYDQZIMBHMN-NHYWBVRUSA-N 2 1 368.365 4.496 20 0 FIADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249319 1081780403 /nfs/dbraw/zinc/78/04/03/1081780403.db2.gz CICCOUJTKOCEOC-AUSIDOKSSA-N 2 1 350.506 4.053 20 0 FIADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249322 1081780638 /nfs/dbraw/zinc/78/06/38/1081780638.db2.gz CICCOUJTKOCEOC-XXBNENTESA-N 2 1 350.506 4.053 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312782669 1081841187 /nfs/dbraw/zinc/84/11/87/1081841187.db2.gz ASJLKICJBLSYOD-RXVVDRJESA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471587555 1081990834 /nfs/dbraw/zinc/99/08/34/1081990834.db2.gz UXGYZESDJYSONP-BZRIBIQUSA-N 2 1 351.538 4.103 20 0 FIADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471587555 1081990837 /nfs/dbraw/zinc/99/08/37/1081990837.db2.gz UXGYZESDJYSONP-BZRIBIQUSA-N 2 1 351.538 4.103 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587181 1082028208 /nfs/dbraw/zinc/02/82/08/1082028208.db2.gz XDXILIXRXFESQP-PTUXOGIPSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587181 1082028216 /nfs/dbraw/zinc/02/82/16/1082028216.db2.gz XDXILIXRXFESQP-PTUXOGIPSA-N 2 1 352.522 4.264 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000077417528 1082145305 /nfs/dbraw/zinc/14/53/05/1082145305.db2.gz ANGKWCPAKGPMTA-LJQANCHMSA-N 2 1 374.960 4.022 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000077417528 1082145307 /nfs/dbraw/zinc/14/53/07/1082145307.db2.gz ANGKWCPAKGPMTA-LJQANCHMSA-N 2 1 374.960 4.022 20 0 FIADMP FC(F)(F)CCCN1CCC[C@]2(CCC[N@@H+](C[C@@H]3CCCCO3)C2)C1 ZINC001279475223 1082255970 /nfs/dbraw/zinc/25/59/70/1082255970.db2.gz XUVPNVGURDMGSA-ROUUACIJSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@H+](C[C@@H]3CCCCO3)C2)C1 ZINC001279475223 1082255985 /nfs/dbraw/zinc/25/59/85/1082255985.db2.gz XUVPNVGURDMGSA-ROUUACIJSA-N 2 1 362.480 4.076 20 0 FIADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@@H+](C[C@@H]3CCCCO3)C2)C1 ZINC001279475223 1082255988 /nfs/dbraw/zinc/25/59/88/1082255988.db2.gz XUVPNVGURDMGSA-ROUUACIJSA-N 2 1 362.480 4.076 20 0 FIADMP Fc1ccc2[nH]cc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2c1 ZINC000127858789 1082276331 /nfs/dbraw/zinc/27/63/31/1082276331.db2.gz JFSAAJYIBPUBLJ-UHFFFAOYSA-N 2 1 365.496 4.146 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000581103910 1082316898 /nfs/dbraw/zinc/31/68/98/1082316898.db2.gz ZGOKMWPWQKTYJA-HRSGCLKMSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000581103910 1082316912 /nfs/dbraw/zinc/31/69/12/1082316912.db2.gz ZGOKMWPWQKTYJA-HRSGCLKMSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000581103910 1082316919 /nfs/dbraw/zinc/31/69/19/1082316919.db2.gz ZGOKMWPWQKTYJA-HRSGCLKMSA-N 2 1 350.453 4.107 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000313064530 1082345240 /nfs/dbraw/zinc/34/52/40/1082345240.db2.gz UOJLGIQPCOUFGH-CMKODMSKSA-N 2 1 362.521 4.135 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000313064530 1082345248 /nfs/dbraw/zinc/34/52/48/1082345248.db2.gz UOJLGIQPCOUFGH-CMKODMSKSA-N 2 1 362.521 4.135 20 0 FIADMP FC(F)(F)Oc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000581233182 1082394714 /nfs/dbraw/zinc/39/47/14/1082394714.db2.gz GEZZTGZCQHSBTR-UHFFFAOYSA-N 2 1 354.416 4.038 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430549272 1082436468 /nfs/dbraw/zinc/43/64/68/1082436468.db2.gz IHWAUFRWJKKWCA-ICSRJNTNSA-N 2 1 360.505 4.099 20 0 FIADMP Fc1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c(F)c1 ZINC000647172053 1082788975 /nfs/dbraw/zinc/78/89/75/1082788975.db2.gz GQCQXYVWVRONKF-WOJBJXKFSA-N 2 1 372.459 4.260 20 0 FIADMP Fc1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)c(F)c1 ZINC000647172053 1082788978 /nfs/dbraw/zinc/78/89/78/1082788978.db2.gz GQCQXYVWVRONKF-WOJBJXKFSA-N 2 1 372.459 4.260 20 0 FIADMP C[C@@H](N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cnccc1N ZINC000581878663 1082951662 /nfs/dbraw/zinc/95/16/62/1082951662.db2.gz XKZYVJFRALDDPS-PXAZEXFGSA-N 2 1 368.481 4.485 20 0 FIADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Br ZINC000430762024 1083155791 /nfs/dbraw/zinc/15/57/91/1083155791.db2.gz NNLDWTHMSOMSNN-KLHDSHLOSA-N 2 1 367.306 4.051 20 0 FIADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131832615 1083167839 /nfs/dbraw/zinc/16/78/39/1083167839.db2.gz YKZLTQITWUOTRI-CCNLRDMRSA-N 2 1 352.469 4.214 20 0 FIADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131832615 1083167844 /nfs/dbraw/zinc/16/78/44/1083167844.db2.gz YKZLTQITWUOTRI-CCNLRDMRSA-N 2 1 352.469 4.214 20 0 FIADMP c1ccc(COc2cccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000090953705 1083219005 /nfs/dbraw/zinc/21/90/05/1083219005.db2.gz VZJVCWSIMCLKNG-FGZHOGPDSA-N 2 1 350.506 4.025 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@@H](C)CCc3c(F)cccc3F)CC2)[nH+]c1 ZINC000510718578 1083259549 /nfs/dbraw/zinc/25/95/49/1083259549.db2.gz SUDUETVZSZYJEA-INIZCTEOSA-N 2 1 359.464 4.248 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510754587 1083291670 /nfs/dbraw/zinc/29/16/70/1083291670.db2.gz ULFYJZKXKRRMJY-KSSFIOAISA-N 2 1 351.332 4.146 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)[C@H](C)C1 ZINC000510755985 1083294090 /nfs/dbraw/zinc/29/40/90/1083294090.db2.gz YBCJJTCTYQCYMR-LZJOCLMNSA-N 2 1 368.512 4.013 20 0 FIADMP CCC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000431075545 1083328447 /nfs/dbraw/zinc/32/84/47/1083328447.db2.gz AGRIPXCROUAWOS-UHFFFAOYSA-N 2 1 365.521 4.146 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C/C(C)=C/c2ccccc2COC)c1 ZINC000510871668 1083349622 /nfs/dbraw/zinc/34/96/22/1083349622.db2.gz IUTQTEQYAKDLJH-CPNJWEJPSA-N 2 1 352.522 4.478 20 0 FIADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1cccs1 ZINC000092253786 1083367748 /nfs/dbraw/zinc/36/77/48/1083367748.db2.gz JDURCDZYHDYLJR-GOSISDBHSA-N 2 1 374.550 4.109 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1cccs1 ZINC000092253786 1083367765 /nfs/dbraw/zinc/36/77/65/1083367765.db2.gz JDURCDZYHDYLJR-GOSISDBHSA-N 2 1 374.550 4.109 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1cccs1 ZINC000092253786 1083367778 /nfs/dbraw/zinc/36/77/78/1083367778.db2.gz JDURCDZYHDYLJR-GOSISDBHSA-N 2 1 374.550 4.109 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1cccs1 ZINC000092253786 1083367789 /nfs/dbraw/zinc/36/77/89/1083367789.db2.gz JDURCDZYHDYLJR-GOSISDBHSA-N 2 1 374.550 4.109 20 0 FIADMP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320170 1083406682 /nfs/dbraw/zinc/40/66/82/1083406682.db2.gz PHEBTDGCLWULMO-KNQAVFIVSA-N 2 1 356.554 4.084 20 0 FIADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318661 1083407054 /nfs/dbraw/zinc/40/70/54/1083407054.db2.gz RTAAYXDWVARCHR-BDTNDASRSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320436 1083407807 /nfs/dbraw/zinc/40/78/07/1083407807.db2.gz YDENUTMZUMBHEX-NQIIRXRSSA-N 2 1 350.506 4.345 20 0 FIADMP COCC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485784 1083482638 /nfs/dbraw/zinc/48/26/38/1083482638.db2.gz DLAJICQHHICWCY-JBACZVJFSA-N 2 1 356.510 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485784 1083482644 /nfs/dbraw/zinc/48/26/44/1083482644.db2.gz DLAJICQHHICWCY-JBACZVJFSA-N 2 1 356.510 4.166 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2)s1 ZINC000535807967 1083694000 /nfs/dbraw/zinc/69/40/00/1083694000.db2.gz KKAUJRGCUBGBLF-RLLQIKCJSA-N 2 1 374.525 4.238 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(F)cc2)s1 ZINC000535809148 1083697836 /nfs/dbraw/zinc/69/78/36/1083697836.db2.gz IPALIYXZJKTHTM-YZGWKJHDSA-N 2 1 374.525 4.238 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2F)s1 ZINC000535809886 1083697951 /nfs/dbraw/zinc/69/79/51/1083697951.db2.gz OCLLZWBGWZWIFE-CDHQVMDDSA-N 2 1 374.525 4.238 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000277033654 1083724346 /nfs/dbraw/zinc/72/43/46/1083724346.db2.gz FSOMFINACMFRHG-UHFFFAOYSA-N 2 1 374.554 4.131 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000277033654 1083724356 /nfs/dbraw/zinc/72/43/56/1083724356.db2.gz FSOMFINACMFRHG-UHFFFAOYSA-N 2 1 374.554 4.131 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000065976547 1083904236 /nfs/dbraw/zinc/90/42/36/1083904236.db2.gz AZDDNBYNFMPHPL-UHFFFAOYSA-N 2 1 352.482 4.108 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000236601868 1083957778 /nfs/dbraw/zinc/95/77/78/1083957778.db2.gz UBYGDYHVEFLSFP-UHFFFAOYSA-N 2 1 367.537 4.240 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000510994366 1084016187 /nfs/dbraw/zinc/01/61/87/1084016187.db2.gz HVUGCLGJLXLMIL-LBPRGKRZSA-N 2 1 362.271 4.441 20 0 FIADMP CCN(Cc1nc(C(C)(C)C)co1)CC1CCN(c2ccccn2)CC1 ZINC001167499217 1084016410 /nfs/dbraw/zinc/01/64/10/1084016410.db2.gz DTLNMZDPSDBVCM-UHFFFAOYSA-N 2 1 356.514 4.106 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000511020890 1084214401 /nfs/dbraw/zinc/21/44/01/1084214401.db2.gz YXVQHEFIVHQCSC-QFIPXVFZSA-N 2 1 368.496 4.118 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000511020890 1084214409 /nfs/dbraw/zinc/21/44/09/1084214409.db2.gz YXVQHEFIVHQCSC-QFIPXVFZSA-N 2 1 368.496 4.118 20 0 FIADMP CC[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647497903 1084249966 /nfs/dbraw/zinc/24/99/66/1084249966.db2.gz ZZNGQAQSODNMGM-JXFKEZNVSA-N 2 1 371.912 4.152 20 0 FIADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537969587 1084319384 /nfs/dbraw/zinc/31/93/84/1084319384.db2.gz GYNFNZWWFGOFQR-OAGGEKHMSA-N 2 1 358.979 4.202 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000657306981 1084370180 /nfs/dbraw/zinc/37/01/80/1084370180.db2.gz FMFJFGJSYGVJNG-MRXNPFEDSA-N 2 1 372.459 4.118 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000657306981 1084370194 /nfs/dbraw/zinc/37/01/94/1084370194.db2.gz FMFJFGJSYGVJNG-MRXNPFEDSA-N 2 1 372.459 4.118 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414066604 1084413649 /nfs/dbraw/zinc/41/36/49/1084413649.db2.gz IHGIZHURMILQJZ-OTWHNJEPSA-N 2 1 366.553 4.158 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414066604 1084413653 /nfs/dbraw/zinc/41/36/53/1084413653.db2.gz IHGIZHURMILQJZ-OTWHNJEPSA-N 2 1 366.553 4.158 20 0 FIADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCc2ccccc21 ZINC001167529668 1084464593 /nfs/dbraw/zinc/46/45/93/1084464593.db2.gz QPMYPQPKQXAPGI-DEOSSOPVSA-N 2 1 364.533 4.154 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000657313730 1084471693 /nfs/dbraw/zinc/47/16/93/1084471693.db2.gz NLPYTNWKCJZUFS-UXHICEINSA-N 2 1 372.459 4.260 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000657313730 1084471701 /nfs/dbraw/zinc/47/17/01/1084471701.db2.gz NLPYTNWKCJZUFS-UXHICEINSA-N 2 1 372.459 4.260 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2)C1 ZINC000657320952 1084543462 /nfs/dbraw/zinc/54/34/62/1084543462.db2.gz KHNRYIAUBNNRML-SFHVURJKSA-N 2 1 361.493 4.111 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414129966 1084648152 /nfs/dbraw/zinc/64/81/52/1084648152.db2.gz VQKIMRWPMDCVJX-MJGOQNOKSA-N 2 1 350.934 4.067 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000414173484 1084738804 /nfs/dbraw/zinc/73/88/04/1084738804.db2.gz FSFJQVJXAJLVNI-LAUBAEHRSA-N 2 1 357.929 4.340 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226909 1084780383 /nfs/dbraw/zinc/78/03/83/1084780383.db2.gz HYQBZXOAUJWBPN-GOEBONIOSA-N 2 1 365.543 4.011 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226909 1084780392 /nfs/dbraw/zinc/78/03/92/1084780392.db2.gz HYQBZXOAUJWBPN-GOEBONIOSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226909 1084780399 /nfs/dbraw/zinc/78/03/99/1084780399.db2.gz HYQBZXOAUJWBPN-GOEBONIOSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226909 1084780407 /nfs/dbraw/zinc/78/04/07/1084780407.db2.gz HYQBZXOAUJWBPN-GOEBONIOSA-N 2 1 365.543 4.011 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558354 1084797944 /nfs/dbraw/zinc/79/79/44/1084797944.db2.gz MIMGUDWVEKPXQQ-KXBFYZLASA-N 2 1 365.359 4.490 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558354 1084797948 /nfs/dbraw/zinc/79/79/48/1084797948.db2.gz MIMGUDWVEKPXQQ-KXBFYZLASA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558354 1084797955 /nfs/dbraw/zinc/79/79/55/1084797955.db2.gz MIMGUDWVEKPXQQ-KXBFYZLASA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558354 1084797957 /nfs/dbraw/zinc/79/79/57/1084797957.db2.gz MIMGUDWVEKPXQQ-KXBFYZLASA-N 2 1 365.359 4.490 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534919 1084900866 /nfs/dbraw/zinc/90/08/66/1084900866.db2.gz DLIWFRZXCCWGLX-QWHCGFSZSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534919 1084900869 /nfs/dbraw/zinc/90/08/69/1084900869.db2.gz DLIWFRZXCCWGLX-QWHCGFSZSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534919 1084900874 /nfs/dbraw/zinc/90/08/74/1084900874.db2.gz DLIWFRZXCCWGLX-QWHCGFSZSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H]([NH2+]Cc1cc2ccncc2s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429695 1085002920 /nfs/dbraw/zinc/00/29/20/1085002920.db2.gz IRBPUQVJXZQRGM-QFBILLFUSA-N 2 1 351.519 4.297 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2ccncc2s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429690 1085004146 /nfs/dbraw/zinc/00/41/46/1085004146.db2.gz IRBPUQVJXZQRGM-APWZRJJASA-N 2 1 351.519 4.297 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000582618814 1085258797 /nfs/dbraw/zinc/25/87/97/1085258797.db2.gz AWWUWTNXSMGUKR-NRFANRHFSA-N 2 1 357.542 4.112 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000582689026 1085377707 /nfs/dbraw/zinc/37/77/07/1085377707.db2.gz YQOSTJXJFLKJPX-KRWDZBQOSA-N 2 1 367.493 4.318 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029132 1085583208 /nfs/dbraw/zinc/58/32/08/1085583208.db2.gz QZBBLBGNMUAQPA-HNNXBMFYSA-N 2 1 354.922 4.101 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029132 1085583211 /nfs/dbraw/zinc/58/32/11/1085583211.db2.gz QZBBLBGNMUAQPA-HNNXBMFYSA-N 2 1 354.922 4.101 20 0 FIADMP Cc1ccc2[nH]c(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000473132649 1085732607 /nfs/dbraw/zinc/73/26/07/1085732607.db2.gz NWQPBJMXNWHYGM-HDICACEKSA-N 2 1 369.553 4.106 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000247979670 1086160691 /nfs/dbraw/zinc/16/06/91/1086160691.db2.gz MDSRSTPIVDHGHP-BBTUJRGHSA-N 2 1 368.521 4.093 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000247979670 1086160698 /nfs/dbraw/zinc/16/06/98/1086160698.db2.gz MDSRSTPIVDHGHP-BBTUJRGHSA-N 2 1 368.521 4.093 20 0 FIADMP C[C@@H](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053747 1086182850 /nfs/dbraw/zinc/18/28/50/1086182850.db2.gz YCEMTOUNKUBYPY-SNJCGAMXSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053747 1086182855 /nfs/dbraw/zinc/18/28/55/1086182855.db2.gz YCEMTOUNKUBYPY-SNJCGAMXSA-N 3 1 355.570 4.036 20 0 FIADMP C[C@@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053747 1086182857 /nfs/dbraw/zinc/18/28/57/1086182857.db2.gz YCEMTOUNKUBYPY-SNJCGAMXSA-N 3 1 355.570 4.036 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000583111523 1086204456 /nfs/dbraw/zinc/20/44/56/1086204456.db2.gz XICMELHTYHLFBL-UHFFFAOYSA-N 2 1 360.505 4.227 20 0 FIADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327350 1086417942 /nfs/dbraw/zinc/41/79/42/1086417942.db2.gz OEZJSBINPPYJCC-HNNXBMFYSA-N 2 1 372.944 4.471 20 0 FIADMP CC(C)c1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327268 1086418312 /nfs/dbraw/zinc/41/83/12/1086418312.db2.gz LQQFVASRROJZPV-UHFFFAOYSA-N 2 1 366.553 4.380 20 0 FIADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328743 1086418422 /nfs/dbraw/zinc/41/84/22/1086418422.db2.gz UOSZROVCEAWXRP-CQSZACIVSA-N 2 1 374.479 4.096 20 0 FIADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328005 1086418921 /nfs/dbraw/zinc/41/89/21/1086418921.db2.gz XOPYXSLRPDQKTG-OAHLLOKOSA-N 2 1 372.944 4.471 20 0 FIADMP Fc1ccc(Oc2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cn2)cc1 ZINC000663343913 1086443224 /nfs/dbraw/zinc/44/32/24/1086443224.db2.gz JSBQSGVSVZHTGJ-LJQANCHMSA-N 2 1 369.484 4.225 20 0 FIADMP Fc1ccc(Oc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cn2)cc1 ZINC000663343913 1086443236 /nfs/dbraw/zinc/44/32/36/1086443236.db2.gz JSBQSGVSVZHTGJ-LJQANCHMSA-N 2 1 369.484 4.225 20 0 FIADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnccc3C(F)(F)F)CC2)C1 ZINC000663474386 1086580596 /nfs/dbraw/zinc/58/05/96/1086580596.db2.gz NUNHJJGTSDAJMU-YOEHRIQHSA-N 2 1 355.448 4.233 20 0 FIADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000663499439 1086611240 /nfs/dbraw/zinc/61/12/40/1086611240.db2.gz KJZZCJASXSJYCZ-OAHLLOKOSA-N 2 1 368.344 4.036 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)Cc2cccc(Cl)c2)s1 ZINC000512018358 1086652067 /nfs/dbraw/zinc/65/20/67/1086652067.db2.gz YNYPBJAUDYWNFS-UHFFFAOYSA-N 2 1 351.947 4.217 20 0 FIADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000512030372 1086669985 /nfs/dbraw/zinc/66/99/85/1086669985.db2.gz IKUCXTKMFJCNAT-UHFFFAOYSA-N 2 1 353.491 4.177 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCSC[C@H]1c1cccc(OC)c1 ZINC001167833644 1086671013 /nfs/dbraw/zinc/67/10/13/1086671013.db2.gz CUQOQHKAGRFKSK-PXNSSMCTSA-N 2 1 350.572 4.296 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000512044953 1086701385 /nfs/dbraw/zinc/70/13/85/1086701385.db2.gz JLBDZVDDAADXFI-UHFFFAOYSA-N 2 1 368.521 4.370 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001167840021 1086719781 /nfs/dbraw/zinc/71/97/81/1086719781.db2.gz DHECHADXYFMVRM-OAHLLOKOSA-N 2 1 358.448 4.454 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413227 1086735950 /nfs/dbraw/zinc/73/59/50/1086735950.db2.gz LMBGGSLROUUIKV-BEFAXECRSA-N 2 1 370.459 4.247 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413919 1086739903 /nfs/dbraw/zinc/73/99/03/1086739903.db2.gz OXCBVGQTPTUXEU-AJSBUHFISA-N 2 1 374.569 4.200 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432413919 1086739915 /nfs/dbraw/zinc/73/99/15/1086739915.db2.gz OXCBVGQTPTUXEU-AJSBUHFISA-N 2 1 374.569 4.200 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000432423208 1086751819 /nfs/dbraw/zinc/75/18/19/1086751819.db2.gz XAGXWKGFKNIOIZ-DMKPSLHHSA-N 2 1 370.459 4.042 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000432423208 1086751826 /nfs/dbraw/zinc/75/18/26/1086751826.db2.gz XAGXWKGFKNIOIZ-DMKPSLHHSA-N 2 1 370.459 4.042 20 0 FIADMP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000432425783 1086752840 /nfs/dbraw/zinc/75/28/40/1086752840.db2.gz NPYAXAZCRNXDNI-ZWUBBELISA-N 2 1 370.581 4.470 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001167842929 1086761099 /nfs/dbraw/zinc/76/10/99/1086761099.db2.gz ZRXBEUOXMBUORM-ISBMVONUSA-N 2 1 373.629 4.392 20 0 FIADMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(Cl)c1F ZINC000583529019 1086770572 /nfs/dbraw/zinc/77/05/72/1086770572.db2.gz VFFXMTUVJOHBPK-KRWDZBQOSA-N 2 1 365.880 4.055 20 0 FIADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000583638671 1086888910 /nfs/dbraw/zinc/88/89/10/1086888910.db2.gz FUQSUHXLNVDIHU-KRWDZBQOSA-N 2 1 366.278 4.091 20 0 FIADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000583638671 1086888923 /nfs/dbraw/zinc/88/89/23/1086888923.db2.gz FUQSUHXLNVDIHU-KRWDZBQOSA-N 2 1 366.278 4.091 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097864 1086905931 /nfs/dbraw/zinc/90/59/31/1086905931.db2.gz RCPLERQPWSQHOT-AZUAARDMSA-N 2 1 362.521 4.306 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097864 1086905934 /nfs/dbraw/zinc/90/59/34/1086905934.db2.gz RCPLERQPWSQHOT-AZUAARDMSA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097864 1086905939 /nfs/dbraw/zinc/90/59/39/1086905939.db2.gz RCPLERQPWSQHOT-AZUAARDMSA-N 2 1 362.521 4.306 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097864 1086905941 /nfs/dbraw/zinc/90/59/41/1086905941.db2.gz RCPLERQPWSQHOT-AZUAARDMSA-N 2 1 362.521 4.306 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1Br ZINC000650752502 1086951356 /nfs/dbraw/zinc/95/13/56/1086951356.db2.gz SFHPXBNDYHEXJQ-JTQLQIEISA-N 2 1 355.226 4.037 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1)CC1CC1 ZINC000536139440 1086982880 /nfs/dbraw/zinc/98/28/80/1086982880.db2.gz DXXOZBLMNHIHGF-UHFFFAOYSA-N 2 1 370.541 4.312 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2cc1OC ZINC000657837229 1087238659 /nfs/dbraw/zinc/23/86/59/1087238659.db2.gz FMHDZDIMDAYRCM-CWFSZBLJSA-N 2 1 354.494 4.134 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2cc1OC ZINC000657837229 1087238667 /nfs/dbraw/zinc/23/86/67/1087238667.db2.gz FMHDZDIMDAYRCM-CWFSZBLJSA-N 2 1 354.494 4.134 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1Oc1cccnc1 ZINC000584343865 1087273172 /nfs/dbraw/zinc/27/31/72/1087273172.db2.gz QAOGSRKRMOVWMW-OAQYLSRUSA-N 2 1 365.521 4.346 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3cccnc3)C(C)C)CC2)cs1 ZINC000091336889 1087427534 /nfs/dbraw/zinc/42/75/34/1087427534.db2.gz AKWUAGIZRSJSTR-OAQYLSRUSA-N 2 1 372.582 4.299 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)oc21 ZINC000708545749 1087433849 /nfs/dbraw/zinc/43/38/49/1087433849.db2.gz VJDMYRWBTOKMIP-PXNSSMCTSA-N 2 1 364.489 4.299 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)oc21 ZINC000708545749 1087433851 /nfs/dbraw/zinc/43/38/51/1087433851.db2.gz VJDMYRWBTOKMIP-PXNSSMCTSA-N 2 1 364.489 4.299 20 0 FIADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCn1cc[nH+]c1C ZINC000657888711 1087545989 /nfs/dbraw/zinc/54/59/89/1087545989.db2.gz NTAQLEVOCJIDAF-GOSISDBHSA-N 2 1 364.331 4.345 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000685424211 1087564895 /nfs/dbraw/zinc/56/48/95/1087564895.db2.gz GAZKFGQRGVYXNV-DNVCBOLYSA-N 2 1 370.459 4.042 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cccc5cnccc54)C3)C2)cc1 ZINC000685443012 1087569747 /nfs/dbraw/zinc/56/97/47/1087569747.db2.gz HZSWUVHBIJCNCU-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cccc5cnccc54)C3)C2)cc1 ZINC000685443012 1087569750 /nfs/dbraw/zinc/56/97/50/1087569750.db2.gz HZSWUVHBIJCNCU-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cccc5cnccc54)C3)C2)cc1 ZINC000685443012 1087569753 /nfs/dbraw/zinc/56/97/53/1087569753.db2.gz HZSWUVHBIJCNCU-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000685463074 1087575559 /nfs/dbraw/zinc/57/55/59/1087575559.db2.gz BWAFJFYAMPDTBO-LJQANCHMSA-N 2 1 355.551 4.282 20 0 FIADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470341 1087577663 /nfs/dbraw/zinc/57/76/63/1087577663.db2.gz HIVURJHGMAQTIL-AUSIDOKSSA-N 2 1 361.533 4.462 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470341 1087577666 /nfs/dbraw/zinc/57/76/66/1087577666.db2.gz HIVURJHGMAQTIL-AUSIDOKSSA-N 2 1 361.533 4.462 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470341 1087577670 /nfs/dbraw/zinc/57/76/70/1087577670.db2.gz HIVURJHGMAQTIL-AUSIDOKSSA-N 2 1 361.533 4.462 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470341 1087577674 /nfs/dbraw/zinc/57/76/74/1087577674.db2.gz HIVURJHGMAQTIL-AUSIDOKSSA-N 2 1 361.533 4.462 20 0 FIADMP CC[NH+](C/C=C/C[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000685589917 1087634700 /nfs/dbraw/zinc/63/47/00/1087634700.db2.gz AEFZJLHSTRAIRH-COJYZCGHSA-N 2 1 366.590 4.102 20 0 FIADMP CC[NH+](C/C=C/C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000685589917 1087634701 /nfs/dbraw/zinc/63/47/01/1087634701.db2.gz AEFZJLHSTRAIRH-COJYZCGHSA-N 2 1 366.590 4.102 20 0 FIADMP CC[NH+](C/C=C/C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000685589917 1087634703 /nfs/dbraw/zinc/63/47/03/1087634703.db2.gz AEFZJLHSTRAIRH-COJYZCGHSA-N 2 1 366.590 4.102 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1 ZINC000511319022 1087679544 /nfs/dbraw/zinc/67/95/44/1087679544.db2.gz BWGICCBZIMDSSU-UHFFFAOYSA-N 2 1 353.510 4.232 20 0 FIADMP CCOC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000657970521 1087683213 /nfs/dbraw/zinc/68/32/13/1087683213.db2.gz FNEOXJNFXCLEER-TTWXDQCFSA-N 2 1 356.554 4.224 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658134546 1087728087 /nfs/dbraw/zinc/72/80/87/1087728087.db2.gz BGCZWMRGJAFLNG-DENIHFKCSA-N 2 1 374.475 4.018 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2c1 ZINC000658147228 1087738466 /nfs/dbraw/zinc/73/84/66/1087738466.db2.gz XJPLDLDNVGOSLW-KOSHJBKYSA-N 2 1 360.501 4.257 20 0 FIADMP COCc1csc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000658210723 1087796061 /nfs/dbraw/zinc/79/60/61/1087796061.db2.gz WAOJPWFEPWGYCL-QGZVFWFLSA-N 2 1 358.551 4.080 20 0 FIADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1Oc1cccnc1 ZINC000472596110 1087979735 /nfs/dbraw/zinc/97/97/35/1087979735.db2.gz KFFQRZZEXVBPKU-UHFFFAOYSA-N 2 1 351.494 4.243 20 0 FIADMP FC(F)(F)C1=CC[NH+](CCCC[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000536537529 1088094140 /nfs/dbraw/zinc/09/41/40/1088094140.db2.gz HSZMSPRLZXOPJH-UHFFFAOYSA-N 2 1 356.354 4.155 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581923 1088529811 /nfs/dbraw/zinc/52/98/11/1088529811.db2.gz DAOAAVIRGRSYHA-HKUYNNGSSA-N 2 1 356.485 4.397 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581923 1088529826 /nfs/dbraw/zinc/52/98/26/1088529826.db2.gz DAOAAVIRGRSYHA-HKUYNNGSSA-N 2 1 356.485 4.397 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)oc21 ZINC000311397300 1088622609 /nfs/dbraw/zinc/62/26/09/1088622609.db2.gz PUJZMBIGJKBDJC-SFHVURJKSA-N 2 1 350.462 4.053 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000311397300 1088622618 /nfs/dbraw/zinc/62/26/18/1088622618.db2.gz PUJZMBIGJKBDJC-SFHVURJKSA-N 2 1 350.462 4.053 20 0 FIADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504041 1088685318 /nfs/dbraw/zinc/68/53/18/1088685318.db2.gz RTALGWKULMKDBV-LAUBAEHRSA-N 2 1 355.913 4.176 20 0 FIADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504041 1088685326 /nfs/dbraw/zinc/68/53/26/1088685326.db2.gz RTALGWKULMKDBV-LAUBAEHRSA-N 2 1 355.913 4.176 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000509988297 1088965008 /nfs/dbraw/zinc/96/50/08/1088965008.db2.gz DSBAPYMEBLKUBL-UHFFFAOYSA-N 2 1 374.282 4.394 20 0 FIADMP [NH3+]C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CCCC1 ZINC000415062243 1089111108 /nfs/dbraw/zinc/11/11/08/1089111108.db2.gz FAVGQPANJYZNRT-FQEVSTJZSA-N 2 1 371.912 4.199 20 0 FIADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC[NH2+]2)cc1 ZINC000415074719 1089125702 /nfs/dbraw/zinc/12/57/02/1089125702.db2.gz AQTZQLVSYDZICU-FGZHOGPDSA-N 2 1 364.537 4.045 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)CC1 ZINC000415095978 1089153384 /nfs/dbraw/zinc/15/33/84/1089153384.db2.gz AEBMWSMYHXMXKI-KRLBEQFCSA-N 3 1 355.570 4.112 20 0 FIADMP C[NH+](C)[C@@H]1CCOc2c(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000435023453 1089210080 /nfs/dbraw/zinc/21/00/80/1089210080.db2.gz KKONVTUCWYMUMP-SIKLNZKXSA-N 2 1 365.521 4.148 20 0 FIADMP c1nc(C2CCC2)sc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435061818 1089252137 /nfs/dbraw/zinc/25/21/37/1089252137.db2.gz ULYJWPFWJVGMSD-UHFFFAOYSA-N 2 1 356.539 4.323 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000514602037 1089257529 /nfs/dbraw/zinc/25/75/29/1089257529.db2.gz DJSNIDXZKDSVKJ-UGKGYDQZSA-N 2 1 374.532 4.158 20 0 FIADMP Cc1ccccc1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167958518 1089462971 /nfs/dbraw/zinc/46/29/71/1089462971.db2.gz GPSXWTIURXFHAW-IFBIMPTNSA-N 2 1 361.533 4.474 20 0 FIADMP Cc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccncc1 ZINC001167958518 1089462976 /nfs/dbraw/zinc/46/29/76/1089462976.db2.gz GPSXWTIURXFHAW-IFBIMPTNSA-N 2 1 361.533 4.474 20 0 FIADMP Cc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167958518 1089462985 /nfs/dbraw/zinc/46/29/85/1089462985.db2.gz GPSXWTIURXFHAW-IFBIMPTNSA-N 2 1 361.533 4.474 20 0 FIADMP Fc1ccc(OC(F)(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958647 1089515971 /nfs/dbraw/zinc/51/59/71/1089515971.db2.gz HGBKKGKEDXQQRF-ALOPSCKCSA-N 2 1 372.406 4.219 20 0 FIADMP Fc1ccc(OC(F)(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958647 1089515978 /nfs/dbraw/zinc/51/59/78/1089515978.db2.gz HGBKKGKEDXQQRF-ALOPSCKCSA-N 2 1 372.406 4.219 20 0 FIADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374809 1089566856 /nfs/dbraw/zinc/56/68/56/1089566856.db2.gz YOWMZTHOFFTAGI-LSDHHAIUSA-N 2 1 360.933 4.128 20 0 FIADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374809 1089566866 /nfs/dbraw/zinc/56/68/66/1089566866.db2.gz YOWMZTHOFFTAGI-LSDHHAIUSA-N 2 1 360.933 4.128 20 0 FIADMP c1ccc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435372322 1089580915 /nfs/dbraw/zinc/58/09/15/1089580915.db2.gz RERLDVVAWDKZJM-XMMPIXPASA-N 2 1 372.516 4.288 20 0 FIADMP c1ccc(C[N@H+](Cc2cccc(-c3cccnc3)c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435372322 1089580930 /nfs/dbraw/zinc/58/09/30/1089580930.db2.gz RERLDVVAWDKZJM-XMMPIXPASA-N 2 1 372.516 4.288 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380849 1089588194 /nfs/dbraw/zinc/58/81/94/1089588194.db2.gz UBDNPFFDWAGFDA-CABCVRRESA-N 2 1 360.933 4.128 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380849 1089588206 /nfs/dbraw/zinc/58/82/06/1089588206.db2.gz UBDNPFFDWAGFDA-CABCVRRESA-N 2 1 360.933 4.128 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435788362 1089935360 /nfs/dbraw/zinc/93/53/60/1089935360.db2.gz SMWGSAUCGJWFGV-HXUWFJFHSA-N 2 1 352.526 4.060 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435788362 1089935363 /nfs/dbraw/zinc/93/53/63/1089935363.db2.gz SMWGSAUCGJWFGV-HXUWFJFHSA-N 2 1 352.526 4.060 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435788360 1089935744 /nfs/dbraw/zinc/93/57/44/1089935744.db2.gz SMWGSAUCGJWFGV-FQEVSTJZSA-N 2 1 352.526 4.060 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000435788360 1089935748 /nfs/dbraw/zinc/93/57/48/1089935748.db2.gz SMWGSAUCGJWFGV-FQEVSTJZSA-N 2 1 352.526 4.060 20 0 FIADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388280750 1090936232 /nfs/dbraw/zinc/93/62/32/1090936232.db2.gz QNKPKCHYYOIWOG-KRWDZBQOSA-N 2 1 364.411 4.197 20 0 FIADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388280750 1090936237 /nfs/dbraw/zinc/93/62/37/1090936237.db2.gz QNKPKCHYYOIWOG-KRWDZBQOSA-N 2 1 364.411 4.197 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000500115925 1091046737 /nfs/dbraw/zinc/04/67/37/1091046737.db2.gz VXWHWAUHSWCSIP-QHCPKHFHSA-N 2 1 368.521 4.062 20 0 FIADMP Cc1[nH+]ccn1CC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500123303 1091051063 /nfs/dbraw/zinc/05/10/63/1091051063.db2.gz KSZVDIPBXXZXHY-UHFFFAOYSA-N 2 1 371.378 4.051 20 0 FIADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551001 1091244136 /nfs/dbraw/zinc/24/41/36/1091244136.db2.gz KCGCMNGZXRCDHD-DNKMKRHMSA-N 2 1 355.570 4.082 20 0 FIADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390551001 1091244141 /nfs/dbraw/zinc/24/41/41/1091244141.db2.gz KCGCMNGZXRCDHD-DNKMKRHMSA-N 3 1 355.570 4.082 20 0 FIADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390551001 1091244150 /nfs/dbraw/zinc/24/41/50/1091244150.db2.gz KCGCMNGZXRCDHD-DNKMKRHMSA-N 3 1 355.570 4.082 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000390561565 1091259204 /nfs/dbraw/zinc/25/92/04/1091259204.db2.gz ARZDIGKYDATVED-JOCHJYFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000390561565 1091259205 /nfs/dbraw/zinc/25/92/05/1091259205.db2.gz ARZDIGKYDATVED-JOCHJYFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000390631605 1091345322 /nfs/dbraw/zinc/34/53/22/1091345322.db2.gz JBJGDLBEAAFGRL-QFIPXVFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000390631605 1091345328 /nfs/dbraw/zinc/34/53/28/1091345328.db2.gz JBJGDLBEAAFGRL-QFIPXVFZSA-N 2 1 368.521 4.094 20 0 FIADMP COC1CC[NH+](C2(CNc3cc[nH+]c4cc(F)ccc34)CCCC2)CC1 ZINC000500379467 1091388619 /nfs/dbraw/zinc/38/86/19/1091388619.db2.gz MJWVMZRMKQWODH-UHFFFAOYSA-N 2 1 357.473 4.209 20 0 FIADMP CCOc1cccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000162751527 1091424700 /nfs/dbraw/zinc/42/47/00/1091424700.db2.gz RCCUNGGFSBTBRJ-KRWDZBQOSA-N 2 1 371.525 4.253 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388542631 1091508975 /nfs/dbraw/zinc/50/89/75/1091508975.db2.gz RSXFTXKBFWWFQN-UGKGYDQZSA-N 2 1 352.522 4.128 20 0 FIADMP FC(F)(F)c1cccnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769285 1091515145 /nfs/dbraw/zinc/51/51/45/1091515145.db2.gz CMZUXGMYIJMXAD-UHFFFAOYSA-N 2 1 355.448 4.188 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000590612027 1091608912 /nfs/dbraw/zinc/60/89/12/1091608912.db2.gz UZZLBNNHPILMQW-FCHUYYIVSA-N 2 1 359.517 4.406 20 0 FIADMP Cc1ccc(CCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000544142015 1091764771 /nfs/dbraw/zinc/76/47/71/1091764771.db2.gz NDXHAJVZKOOWIF-UHFFFAOYSA-N 2 1 371.613 4.056 20 0 FIADMP Cc1ccc(CCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000544142015 1091764780 /nfs/dbraw/zinc/76/47/80/1091764780.db2.gz NDXHAJVZKOOWIF-UHFFFAOYSA-N 3 1 371.613 4.056 20 0 FIADMP Cc1ccc(CCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000544142015 1091764787 /nfs/dbraw/zinc/76/47/87/1091764787.db2.gz NDXHAJVZKOOWIF-UHFFFAOYSA-N 3 1 371.613 4.056 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000512198698 1091897449 /nfs/dbraw/zinc/89/74/49/1091897449.db2.gz VVCYFJLUTCSJMC-SFHVURJKSA-N 2 1 370.516 4.160 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000512198698 1091897455 /nfs/dbraw/zinc/89/74/55/1091897455.db2.gz VVCYFJLUTCSJMC-SFHVURJKSA-N 2 1 370.516 4.160 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204507 1091909041 /nfs/dbraw/zinc/90/90/41/1091909041.db2.gz UPWKEDIKCWRUBF-ZWKOTPCHSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204507 1091909044 /nfs/dbraw/zinc/90/90/44/1091909044.db2.gz UPWKEDIKCWRUBF-ZWKOTPCHSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204507 1091909046 /nfs/dbraw/zinc/90/90/46/1091909046.db2.gz UPWKEDIKCWRUBF-ZWKOTPCHSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204507 1091909050 /nfs/dbraw/zinc/90/90/50/1091909050.db2.gz UPWKEDIKCWRUBF-ZWKOTPCHSA-N 2 1 370.516 4.302 20 0 FIADMP CC(C)c1ccccc1-n1ccn(C[N@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728906884 1091981318 /nfs/dbraw/zinc/98/13/18/1091981318.db2.gz JVLXXHKCUOZDGS-UHFFFAOYSA-N 2 1 372.582 4.363 20 0 FIADMP CC(C)c1ccccc1-n1ccn(C[N@@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000728906884 1091981321 /nfs/dbraw/zinc/98/13/21/1091981321.db2.gz JVLXXHKCUOZDGS-UHFFFAOYSA-N 2 1 372.582 4.363 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000512321811 1092036435 /nfs/dbraw/zinc/03/64/35/1092036435.db2.gz GSFMKCSWBYZQBO-PMPSAXMXSA-N 2 1 364.505 4.147 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000512321811 1092036448 /nfs/dbraw/zinc/03/64/48/1092036448.db2.gz GSFMKCSWBYZQBO-PMPSAXMXSA-N 2 1 364.505 4.147 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000236859638 1092069767 /nfs/dbraw/zinc/06/97/67/1092069767.db2.gz PORMDSNBODFSPR-IEBWSBKVSA-N 2 1 367.578 4.019 20 0 FIADMP Cc1nn(Cc2ccccc2)c(Cl)c1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000236608449 1092402496 /nfs/dbraw/zinc/40/24/96/1092402496.db2.gz SLZMXAWFGACGCZ-IBGZPJMESA-N 2 1 374.960 4.103 20 0 FIADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000521033137 1092436913 /nfs/dbraw/zinc/43/69/13/1092436913.db2.gz NDQPZUWUWCFXAU-JOCHJYFZSA-N 2 1 365.521 4.304 20 0 FIADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000521043696 1092442669 /nfs/dbraw/zinc/44/26/69/1092442669.db2.gz HSCYQSIVNPZOHM-KNQAVFIVSA-N 2 1 374.532 4.076 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000432815225 1092486811 /nfs/dbraw/zinc/48/68/11/1092486811.db2.gz DOPXOQMUHPWUSK-NRFANRHFSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000432815225 1092486820 /nfs/dbraw/zinc/48/68/20/1092486820.db2.gz DOPXOQMUHPWUSK-NRFANRHFSA-N 2 1 356.485 4.321 20 0 FIADMP CCOc1ccc(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C(C)C)cc1 ZINC000544348449 1092785796 /nfs/dbraw/zinc/78/57/96/1092785796.db2.gz MNHKXIPYTIZOFO-UHFFFAOYSA-N 2 1 364.493 4.385 20 0 FIADMP c1cc2cc(CC[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH]1 ZINC000442820260 1092788881 /nfs/dbraw/zinc/78/88/81/1092788881.db2.gz KFBODLBSQYMZQM-WPFOTENUSA-N 2 1 359.517 4.211 20 0 FIADMP COCCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865498 1092812690 /nfs/dbraw/zinc/81/26/90/1092812690.db2.gz UCMCIGGDJAAAAT-NZQKXSOJSA-N 2 1 370.512 4.405 20 0 FIADMP Cc1cccc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3C)CC2)[nH+]1 ZINC000442999476 1092905242 /nfs/dbraw/zinc/90/52/42/1092905242.db2.gz HIENIGHUVYMWDT-UHFFFAOYSA-N 2 1 363.427 4.476 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@@H]1c1cccs1 ZINC000474040206 1092920262 /nfs/dbraw/zinc/92/02/62/1092920262.db2.gz ZTDMQPKMXKALMG-DRJBRKBZSA-N 2 1 362.583 4.316 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@@H]1c1cccs1 ZINC000474040206 1092920269 /nfs/dbraw/zinc/92/02/69/1092920269.db2.gz ZTDMQPKMXKALMG-DRJBRKBZSA-N 2 1 362.583 4.316 20 0 FIADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443062315 1092925162 /nfs/dbraw/zinc/92/51/62/1092925162.db2.gz UKORVFGXLCQIMZ-UGKGYDQZSA-N 2 1 365.521 4.044 20 0 FIADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000443088344 1092932418 /nfs/dbraw/zinc/93/24/18/1092932418.db2.gz AKYNLNMRQOPBLA-CALCHBBNSA-N 2 1 354.498 4.095 20 0 FIADMP c1cc2c(nc[nH+]c2NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[nH]1 ZINC000521882141 1092958471 /nfs/dbraw/zinc/95/84/71/1092958471.db2.gz XCYMIOHDEYIVAD-UHFFFAOYSA-N 2 1 363.509 4.056 20 0 FIADMP c1sc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C1CC1 ZINC000512610962 1092989415 /nfs/dbraw/zinc/98/94/15/1092989415.db2.gz GQTPCBMLUAWHHH-SLFFLAALSA-N 2 1 367.562 4.411 20 0 FIADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)CC1 ZINC000512636958 1093055855 /nfs/dbraw/zinc/05/58/55/1093055855.db2.gz QEABCGVVPJVQOE-FCUGFLGKSA-N 2 1 368.565 4.301 20 0 FIADMP Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168018202 1093164726 /nfs/dbraw/zinc/16/47/26/1093164726.db2.gz YWPSSAPWSGNQEX-VTYHHJSWSA-N 2 1 352.522 4.405 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000474068055 1093182678 /nfs/dbraw/zinc/18/26/78/1093182678.db2.gz SJVNQTSGNBJODO-YMPZKCBVSA-N 2 1 356.554 4.144 20 0 FIADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168020207 1093202013 /nfs/dbraw/zinc/20/20/13/1093202013.db2.gz LJSFXNJUKPNKCN-CUDBPUKSSA-N 2 1 357.586 4.138 20 0 FIADMP CC(=O)c1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168020469 1093212839 /nfs/dbraw/zinc/21/28/39/1093212839.db2.gz NCNSYFZXGOZKAS-QZTJIDSGSA-N 2 1 350.506 4.420 20 0 FIADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443584875 1093284791 /nfs/dbraw/zinc/28/47/91/1093284791.db2.gz TXGNBUYMPFWZCA-DJJJIMSYSA-N 2 1 371.352 4.005 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000512831456 1093410531 /nfs/dbraw/zinc/41/05/31/1093410531.db2.gz CGZVXIFDQNQIGO-UHFFFAOYSA-N 2 1 354.542 4.207 20 0 FIADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031378 1093623802 /nfs/dbraw/zinc/62/38/02/1093623802.db2.gz YVXHRYACVWMSIA-NXWNEQKCSA-N 2 1 352.522 4.354 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277634 1093646407 /nfs/dbraw/zinc/64/64/07/1093646407.db2.gz ZMRJFELGFMTCNY-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277634 1093646412 /nfs/dbraw/zinc/64/64/12/1093646412.db2.gz ZMRJFELGFMTCNY-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277634 1093646419 /nfs/dbraw/zinc/64/64/19/1093646419.db2.gz ZMRJFELGFMTCNY-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000474277634 1093646422 /nfs/dbraw/zinc/64/64/22/1093646422.db2.gz ZMRJFELGFMTCNY-NZQKXSOJSA-N 2 1 351.538 4.308 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513063790 1093715371 /nfs/dbraw/zinc/71/53/71/1093715371.db2.gz IPMSNMKPHANNDL-LAUBAEHRSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000513063790 1093715376 /nfs/dbraw/zinc/71/53/76/1093715376.db2.gz IPMSNMKPHANNDL-LAUBAEHRSA-N 2 1 365.496 4.492 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000474481091 1093827815 /nfs/dbraw/zinc/82/78/15/1093827815.db2.gz UACKRRRPOGIACI-QGZVFWFLSA-N 2 1 370.493 4.121 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000474481091 1093827820 /nfs/dbraw/zinc/82/78/20/1093827820.db2.gz UACKRRRPOGIACI-QGZVFWFLSA-N 2 1 370.493 4.121 20 0 FIADMP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927661 1093836805 /nfs/dbraw/zinc/83/68/05/1093836805.db2.gz JRNXBRMZARMPBR-XZOQPEGZSA-N 2 1 354.538 4.029 20 0 FIADMP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927661 1093836812 /nfs/dbraw/zinc/83/68/12/1093836812.db2.gz JRNXBRMZARMPBR-XZOQPEGZSA-N 2 1 354.538 4.029 20 0 FIADMP C[C@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C[NH+]1CCCC1 ZINC000327545326 1093853281 /nfs/dbraw/zinc/85/32/81/1093853281.db2.gz CRLBLVVSGJQSEN-OAHLLOKOSA-N 2 1 355.507 4.378 20 0 FIADMP Cc1noc2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000894179358 1093889528 /nfs/dbraw/zinc/88/95/28/1093889528.db2.gz QWOJSXRGXZOOBQ-INIZCTEOSA-N 2 1 364.493 4.195 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513214219 1094009646 /nfs/dbraw/zinc/00/96/46/1094009646.db2.gz XVATWTCSLMTTJK-FVTFTPSCSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513214219 1094009653 /nfs/dbraw/zinc/00/96/53/1094009653.db2.gz XVATWTCSLMTTJK-FVTFTPSCSA-N 2 1 358.570 4.470 20 0 FIADMP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337689 1094063945 /nfs/dbraw/zinc/06/39/45/1094063945.db2.gz JMDUIDIDWBMCCU-FGGAIWKESA-N 2 1 364.533 4.348 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000513350410 1094073556 /nfs/dbraw/zinc/07/35/56/1094073556.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350410 1094073565 /nfs/dbraw/zinc/07/35/65/1094073565.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350410 1094073572 /nfs/dbraw/zinc/07/35/72/1094073572.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350410 1094073578 /nfs/dbraw/zinc/07/35/78/1094073578.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 3 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350410 1094073586 /nfs/dbraw/zinc/07/35/86/1094073586.db2.gz HSWGNYLHCNHDKB-BAMDZGJYSA-N 3 1 369.597 4.282 20 0 FIADMP Cc1ccc2ncc(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)n2c1 ZINC000513500296 1094172737 /nfs/dbraw/zinc/17/27/37/1094172737.db2.gz LTEXZIYGTUBQON-CTNGQTDRSA-N 2 1 362.521 4.033 20 0 FIADMP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000513501432 1094173973 /nfs/dbraw/zinc/17/39/73/1094173973.db2.gz SXWIVGYXQSOPIV-AZUAARDMSA-N 2 1 368.521 4.094 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001648965394 1094305386 /nfs/dbraw/zinc/30/53/86/1094305386.db2.gz MTNQTQMWNDGWRS-JOCHJYFZSA-N 2 1 374.532 4.183 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001648965394 1094305403 /nfs/dbraw/zinc/30/54/03/1094305403.db2.gz MTNQTQMWNDGWRS-JOCHJYFZSA-N 2 1 374.532 4.183 20 0 FIADMP COC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000513697690 1094364867 /nfs/dbraw/zinc/36/48/67/1094364867.db2.gz QPADGZRMJSTAAV-XPPIMPSXSA-N 2 1 352.522 4.407 20 0 FIADMP C[C@@H]1CC([N@@H+]2CCc3c(O)cccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039697 1094451235 /nfs/dbraw/zinc/45/12/35/1094451235.db2.gz HKSMVUIXDMJZOO-QZTJIDSGSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1CC([N@H+]2CCc3c(O)cccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039697 1094451244 /nfs/dbraw/zinc/45/12/44/1094451244.db2.gz HKSMVUIXDMJZOO-QZTJIDSGSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501063679 1094475146 /nfs/dbraw/zinc/47/51/46/1094475146.db2.gz KLXLFZAEKUTMLE-PXNSSMCTSA-N 2 1 372.553 4.385 20 0 FIADMP CCOC(=O)C[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039987 1094483104 /nfs/dbraw/zinc/48/31/04/1094483104.db2.gz JJSUWNLTJYZJFD-ZJOUEHCJSA-N 2 1 372.553 4.093 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501137697 1094525117 /nfs/dbraw/zinc/52/51/17/1094525117.db2.gz WJDKYVMIUPTRIT-INIZCTEOSA-N 2 1 372.384 4.402 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000474716551 1094537680 /nfs/dbraw/zinc/53/76/80/1094537680.db2.gz YCDRLXMZPNDWKV-MSOLQXFVSA-N 2 1 370.537 4.437 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000474716554 1094538236 /nfs/dbraw/zinc/53/82/36/1094538236.db2.gz YCDRLXMZPNDWKV-ROUUACIJSA-N 2 1 370.537 4.437 20 0 FIADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474723707 1094541760 /nfs/dbraw/zinc/54/17/60/1094541760.db2.gz GSIBJQLGWXALSL-OWCLPIDISA-N 2 1 368.974 4.128 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000474735206 1094549238 /nfs/dbraw/zinc/54/92/38/1094549238.db2.gz WTYKWXZPCSVLAR-URVUXULASA-N 2 1 366.549 4.341 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000474803375 1094640078 /nfs/dbraw/zinc/64/00/78/1094640078.db2.gz AWEDVZMFGNEJLJ-NVQBRXGOSA-N 2 1 372.553 4.141 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000474803375 1094640086 /nfs/dbraw/zinc/64/00/86/1094640086.db2.gz AWEDVZMFGNEJLJ-NVQBRXGOSA-N 2 1 372.553 4.141 20 0 FIADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000474815326 1094661254 /nfs/dbraw/zinc/66/12/54/1094661254.db2.gz FHJAKBYWFABVLU-RBBKRZOGSA-N 2 1 356.510 4.206 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446753 1094718109 /nfs/dbraw/zinc/71/81/09/1094718109.db2.gz UFMCUDFFOOCMDW-AYBZRNKSSA-N 2 1 372.475 4.491 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446753 1094718120 /nfs/dbraw/zinc/71/81/20/1094718120.db2.gz UFMCUDFFOOCMDW-AYBZRNKSSA-N 2 1 372.475 4.491 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000501817301 1094934784 /nfs/dbraw/zinc/93/47/84/1094934784.db2.gz SJCPKLUNSCIYAX-MRXNPFEDSA-N 2 1 354.485 4.096 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000501982844 1095035748 /nfs/dbraw/zinc/03/57/48/1095035748.db2.gz VYRUBZVJKBXKCM-VXNXHJTFSA-N 2 1 369.597 4.061 20 0 FIADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551461 1095135987 /nfs/dbraw/zinc/13/59/87/1095135987.db2.gz JMFPAPRULWVHFO-DENIHFKCSA-N 2 1 357.586 4.147 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000420936413 1095175284 /nfs/dbraw/zinc/17/52/84/1095175284.db2.gz MWOHMECVRFOKMA-QFIPXVFZSA-N 2 1 356.485 4.145 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCC(OC3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168046562 1095204355 /nfs/dbraw/zinc/20/43/55/1095204355.db2.gz OBZDRYGYSOZWJD-CEQLMSFQSA-N 2 1 356.554 4.462 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000502254653 1095274276 /nfs/dbraw/zinc/27/42/76/1095274276.db2.gz NVPPJGPGUNJRRB-SIKLNZKXSA-N 2 1 356.554 4.500 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3cccnc3)C3CCC3)CC2)oc1C ZINC000281027690 1095473246 /nfs/dbraw/zinc/47/32/46/1095473246.db2.gz ZXEDRIOCUXFTRV-QFIPXVFZSA-N 2 1 368.525 4.029 20 0 FIADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1Cl ZINC000443979514 1095568023 /nfs/dbraw/zinc/56/80/23/1095568023.db2.gz OQDBRAMARDKDND-QGZVFWFLSA-N 2 1 358.913 4.159 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000502691428 1095704493 /nfs/dbraw/zinc/70/44/93/1095704493.db2.gz INTJWWKQDYPLSX-UHFFFAOYSA-N 2 1 353.510 4.351 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000502691428 1095704497 /nfs/dbraw/zinc/70/44/97/1095704497.db2.gz INTJWWKQDYPLSX-UHFFFAOYSA-N 2 1 353.510 4.351 20 0 FIADMP CCC(CC)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000655703669 1095921671 /nfs/dbraw/zinc/92/16/71/1095921671.db2.gz SVQAMIDELJTTBA-UYAOXDASSA-N 2 1 350.572 4.458 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074293 1096052521 /nfs/dbraw/zinc/05/25/21/1096052521.db2.gz QJOPOUFOBPDRHL-AZUAARDMSA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074293 1096052534 /nfs/dbraw/zinc/05/25/34/1096052534.db2.gz QJOPOUFOBPDRHL-AZUAARDMSA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074293 1096052547 /nfs/dbraw/zinc/05/25/47/1096052547.db2.gz QJOPOUFOBPDRHL-AZUAARDMSA-N 2 1 374.573 4.246 20 0 FIADMP C[N@@H+](Cc1cccc(OCc2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414652165 1096342895 /nfs/dbraw/zinc/34/28/95/1096342895.db2.gz GGIFXZKJIOEWKV-WCRBZPEASA-N 2 1 354.469 4.120 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503377167 1096378187 /nfs/dbraw/zinc/37/81/87/1096378187.db2.gz PILOTVOSGIAURN-GOSISDBHSA-N 2 1 351.332 4.113 20 0 FIADMP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503428741 1096394796 /nfs/dbraw/zinc/39/47/96/1096394796.db2.gz HWXRJOBXUYDVNE-PZJWPPBQSA-N 2 1 353.510 4.177 20 0 FIADMP Clc1ccccc1OCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503434927 1096398819 /nfs/dbraw/zinc/39/88/19/1096398819.db2.gz LJCZSRRGYUUNSW-MRXNPFEDSA-N 2 1 359.901 4.131 20 0 FIADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422747203 1096480950 /nfs/dbraw/zinc/48/09/50/1096480950.db2.gz PMCLBCJLKAMUGC-HGSOSGBHSA-N 2 1 355.570 4.112 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422855854 1096505515 /nfs/dbraw/zinc/50/55/15/1096505515.db2.gz FLOWQKRUZOWOGW-ZWKOTPCHSA-N 3 1 366.553 4.074 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422866312 1096507874 /nfs/dbraw/zinc/50/78/74/1096507874.db2.gz QDRSNFAQKSRLDH-PWRODBHTSA-N 2 1 369.484 4.413 20 0 FIADMP C[C@H]([NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)c1c[nH+]ccc1N ZINC000422842743 1096509262 /nfs/dbraw/zinc/50/92/62/1096509262.db2.gz ZGRZFNVDAYRROQ-VIFPVBQESA-N 2 1 360.672 4.184 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422925095 1096526053 /nfs/dbraw/zinc/52/60/53/1096526053.db2.gz VBVHYYSJBCSRJU-IAGOWNOFSA-N 2 1 352.526 4.396 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12)c1c[nH+]ccc1N ZINC000422935771 1096529169 /nfs/dbraw/zinc/52/91/69/1096529169.db2.gz DPIPOESGJLJDOA-ANJNAGEBSA-N 2 1 355.485 4.442 20 0 FIADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1C(F)(F)F ZINC000422920898 1096532822 /nfs/dbraw/zinc/53/28/22/1096532822.db2.gz NWNQJOQXIDLGAU-STQMWFEESA-N 2 1 353.388 4.021 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000414713305 1096556914 /nfs/dbraw/zinc/55/69/14/1096556914.db2.gz OPMXZGRNOSECBE-IBGZPJMESA-N 2 1 372.557 4.105 20 0 FIADMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423041820 1096558255 /nfs/dbraw/zinc/55/82/55/1096558255.db2.gz JWZWIOCQPCPMCZ-HEHGZKQESA-N 2 1 360.468 4.024 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414715542 1096564463 /nfs/dbraw/zinc/56/44/63/1096564463.db2.gz RBHQEPCWBPVIQR-ROUUACIJSA-N 2 1 372.557 4.042 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000414715786 1096574033 /nfs/dbraw/zinc/57/40/33/1096574033.db2.gz NMGQRDWDXHRNDS-MRXNPFEDSA-N 2 1 354.922 4.101 20 0 FIADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)c2ccccc21 ZINC000423148074 1096586548 /nfs/dbraw/zinc/58/65/48/1096586548.db2.gz FFEHFQJSECUIKJ-BRWVUGGUSA-N 2 1 361.258 4.310 20 0 FIADMP C[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H]1C[NH3+] ZINC000414719001 1096589213 /nfs/dbraw/zinc/58/92/13/1096589213.db2.gz XENLKYXWYFLUOU-DYESRHJHSA-N 2 1 372.557 4.042 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@@H](C)CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000414722870 1096609987 /nfs/dbraw/zinc/60/99/87/1096609987.db2.gz GOEOUVSQBFTHFU-PXNSSMCTSA-N 2 1 357.567 4.132 20 0 FIADMP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414727759 1096629420 /nfs/dbraw/zinc/62/94/20/1096629420.db2.gz BOBFDISXDLHNGK-KBPBESRZSA-N 2 1 372.340 4.032 20 0 FIADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc2cc(Br)ccc2o1 ZINC000423334257 1096649564 /nfs/dbraw/zinc/64/95/64/1096649564.db2.gz ICHKQWKTVZTSEK-YVEFUNNKSA-N 2 1 351.288 4.236 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CC[NH2+]1 ZINC000423387059 1096662845 /nfs/dbraw/zinc/66/28/45/1096662845.db2.gz SIIVUUVNWHAGQX-NIKGAXFTSA-N 2 1 359.311 4.269 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423394958 1096664985 /nfs/dbraw/zinc/66/49/85/1096664985.db2.gz NACSSAVRLPZANE-VFVAKGGASA-N 2 1 357.723 4.141 20 0 FIADMP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525794 1096713255 /nfs/dbraw/zinc/71/32/55/1096713255.db2.gz YQBFUHXFVOKSFD-UHYCVJNDSA-N 2 1 369.578 4.085 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000532971452 1098640271 /nfs/dbraw/zinc/64/02/71/1098640271.db2.gz HYCDITRDHSKLMN-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000532971452 1098640278 /nfs/dbraw/zinc/64/02/78/1098640278.db2.gz HYCDITRDHSKLMN-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000532971452 1098640284 /nfs/dbraw/zinc/64/02/84/1098640284.db2.gz HYCDITRDHSKLMN-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000532971452 1098640295 /nfs/dbraw/zinc/64/02/95/1098640295.db2.gz HYCDITRDHSKLMN-MOPGFXCFSA-N 2 1 365.521 4.274 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000515530275 1098668465 /nfs/dbraw/zinc/66/84/65/1098668465.db2.gz TWXQYIZXMZMBLC-NQRSXGPZSA-N 2 1 350.453 4.248 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000515530275 1098668470 /nfs/dbraw/zinc/66/84/70/1098668470.db2.gz TWXQYIZXMZMBLC-NQRSXGPZSA-N 2 1 350.453 4.248 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000515530275 1098668474 /nfs/dbraw/zinc/66/84/74/1098668474.db2.gz TWXQYIZXMZMBLC-NQRSXGPZSA-N 2 1 350.453 4.248 20 0 FIADMP CC(C[NH+]1CCC[C@@H]1c1ccccn1)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026131 1098679852 /nfs/dbraw/zinc/67/98/52/1098679852.db2.gz YCGJXPKDXJFVGL-FGZHOGPDSA-N 2 1 350.510 4.087 20 0 FIADMP CC(C[NH+]1CCC[C@@H]1c1ccccn1)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026131 1098679862 /nfs/dbraw/zinc/67/98/62/1098679862.db2.gz YCGJXPKDXJFVGL-FGZHOGPDSA-N 2 1 350.510 4.087 20 0 FIADMP Cc1ncsc1C[N@H+](CCc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000436057297 1098684272 /nfs/dbraw/zinc/68/42/72/1098684272.db2.gz XVMMFAFNWYMSEN-LJQANCHMSA-N 2 1 365.546 4.259 20 0 FIADMP Cc1ncsc1C[N@@H+](CCc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000436057297 1098684278 /nfs/dbraw/zinc/68/42/78/1098684278.db2.gz XVMMFAFNWYMSEN-LJQANCHMSA-N 2 1 365.546 4.259 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436271959 1098898325 /nfs/dbraw/zinc/89/83/25/1098898325.db2.gz FMUXGYUUIISGSQ-UHFFFAOYSA-N 2 1 354.523 4.268 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309928 1098944345 /nfs/dbraw/zinc/94/43/45/1098944345.db2.gz GTOKMHSWBWKSFH-HIFRSBDPSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309928 1098944352 /nfs/dbraw/zinc/94/43/52/1098944352.db2.gz GTOKMHSWBWKSFH-HIFRSBDPSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309928 1098944354 /nfs/dbraw/zinc/94/43/54/1098944354.db2.gz GTOKMHSWBWKSFH-HIFRSBDPSA-N 2 1 372.340 4.127 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309927 1098944968 /nfs/dbraw/zinc/94/49/68/1098944968.db2.gz GTOKMHSWBWKSFH-DZGCQCFKSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309927 1098944970 /nfs/dbraw/zinc/94/49/70/1098944970.db2.gz GTOKMHSWBWKSFH-DZGCQCFKSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309927 1098944972 /nfs/dbraw/zinc/94/49/72/1098944972.db2.gz GTOKMHSWBWKSFH-DZGCQCFKSA-N 2 1 372.340 4.127 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000533608568 1099225071 /nfs/dbraw/zinc/22/50/71/1099225071.db2.gz UTBVAXVTICEPFY-FQEVSTJZSA-N 2 1 370.562 4.164 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000247132233 1099385174 /nfs/dbraw/zinc/38/51/74/1099385174.db2.gz ASWNEWYGHYDTCT-RRMPHLOHSA-N 2 1 371.550 4.440 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000247132233 1099385187 /nfs/dbraw/zinc/38/51/87/1099385187.db2.gz ASWNEWYGHYDTCT-RRMPHLOHSA-N 2 1 371.550 4.440 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000437086474 1099606719 /nfs/dbraw/zinc/60/67/19/1099606719.db2.gz RJPIYBMVUNZNCI-RGMHLJPOSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437086474 1099606724 /nfs/dbraw/zinc/60/67/24/1099606724.db2.gz RJPIYBMVUNZNCI-RGMHLJPOSA-N 2 1 366.480 4.150 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000162289498 1099678950 /nfs/dbraw/zinc/67/89/50/1099678950.db2.gz XDQLVNMHCPZPJY-HNNXBMFYSA-N 2 1 356.539 4.135 20 0 FIADMP C[NH2+]CCC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000262003761 1099687518 /nfs/dbraw/zinc/68/75/18/1099687518.db2.gz QOOGNHLPEGYURJ-UHFFFAOYSA-N 2 1 363.958 4.209 20 0 FIADMP C[C@@H]([NH2+]CCCCN(C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715620 1099885748 /nfs/dbraw/zinc/88/57/48/1099885748.db2.gz DRVUWMFURVRBBB-GGAORHGYSA-N 2 1 365.565 4.403 20 0 FIADMP COc1cc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000508717891 1099908537 /nfs/dbraw/zinc/90/85/37/1099908537.db2.gz MQRAWUKTVMYHBN-UGKGYDQZSA-N 2 1 352.522 4.046 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000237479347 1099916831 /nfs/dbraw/zinc/91/68/31/1099916831.db2.gz FAFQFGRDCIEXCF-QGZVFWFLSA-N 2 1 354.494 4.019 20 0 FIADMP C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722243 1099940534 /nfs/dbraw/zinc/94/05/34/1099940534.db2.gz WWZUFQXBUHBYPC-AZUAARDMSA-N 2 1 352.497 4.358 20 0 FIADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1cccc(OC)c1 ZINC000162733096 1099977023 /nfs/dbraw/zinc/97/70/23/1099977023.db2.gz YMXYVFOBLFOQDS-OAQYLSRUSA-N 2 1 371.525 4.253 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C)c(C)c3)CC2)oc1C ZINC000162745964 1099981114 /nfs/dbraw/zinc/98/11/14/1099981114.db2.gz FRALZVXANFBFAQ-SFHVURJKSA-N 2 1 355.526 4.471 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4cc(F)ccc4C[C@H]3C)CC2)oc1C ZINC000162797291 1100004991 /nfs/dbraw/zinc/00/49/91/1100004991.db2.gz JJFYXHRCOWOTCH-PEBXRYMYSA-N 2 1 371.500 4.166 20 0 FIADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000459408105 1100130540 /nfs/dbraw/zinc/13/05/40/1100130540.db2.gz IEHPCHGFJJWRII-UHFFFAOYSA-N 2 1 350.510 4.020 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659683 1100130862 /nfs/dbraw/zinc/13/08/62/1100130862.db2.gz RLSRDSMMULFLMU-ICSRJNTNSA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659683 1100130865 /nfs/dbraw/zinc/13/08/65/1100130865.db2.gz RLSRDSMMULFLMU-ICSRJNTNSA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659683 1100130869 /nfs/dbraw/zinc/13/08/69/1100130869.db2.gz RLSRDSMMULFLMU-ICSRJNTNSA-N 2 1 353.510 4.487 20 0 FIADMP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665608 1100139458 /nfs/dbraw/zinc/13/94/58/1100139458.db2.gz UBTGQVCAOVYEQB-AVRDEDQJSA-N 2 1 373.585 4.031 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000536696679 1100201024 /nfs/dbraw/zinc/20/10/24/1100201024.db2.gz CQFCDJMRDKYNBO-HXUWFJFHSA-N 2 1 366.553 4.304 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000536696679 1100201041 /nfs/dbraw/zinc/20/10/41/1100201041.db2.gz CQFCDJMRDKYNBO-HXUWFJFHSA-N 2 1 366.553 4.304 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000379620784 1100222677 /nfs/dbraw/zinc/22/26/77/1100222677.db2.gz DNQYPVCLXRWIEX-GHTZIAJQSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000379620784 1100222688 /nfs/dbraw/zinc/22/26/88/1100222688.db2.gz DNQYPVCLXRWIEX-GHTZIAJQSA-N 2 1 368.521 4.237 20 0 FIADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000191483340 1100244142 /nfs/dbraw/zinc/24/41/42/1100244142.db2.gz YZEJHKPDDZZVIQ-UHFFFAOYSA-N 2 1 356.445 4.152 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3C)CC1)C2 ZINC000425919636 1100253133 /nfs/dbraw/zinc/25/31/33/1100253133.db2.gz ODUMCTVEYZNBQZ-JOCHJYFZSA-N 2 1 364.533 4.115 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379650246 1100260268 /nfs/dbraw/zinc/26/02/68/1100260268.db2.gz RGMJKIXBVXBMPS-QFBILLFUSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379650246 1100260277 /nfs/dbraw/zinc/26/02/77/1100260277.db2.gz RGMJKIXBVXBMPS-QFBILLFUSA-N 2 1 360.448 4.431 20 0 FIADMP Fc1cc(C(F)(F)F)cc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000459507739 1100262287 /nfs/dbraw/zinc/26/22/87/1100262287.db2.gz LBWYINYKGLWIAS-UHFFFAOYSA-N 2 1 356.407 4.093 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1)CC1CC1 ZINC000536737998 1100265431 /nfs/dbraw/zinc/26/54/31/1100265431.db2.gz CTUGHBCXUFROAH-UHFFFAOYSA-N 2 1 365.949 4.078 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1)CC1CC1 ZINC000536737998 1100265447 /nfs/dbraw/zinc/26/54/47/1100265447.db2.gz CTUGHBCXUFROAH-UHFFFAOYSA-N 2 1 365.949 4.078 20 0 FIADMP Brc1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459557180 1100302748 /nfs/dbraw/zinc/30/27/48/1100302748.db2.gz LMBRFIGKDHKUKX-UHFFFAOYSA-N 2 1 363.343 4.087 20 0 FIADMP COc1ccc(Oc2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000536824949 1100342237 /nfs/dbraw/zinc/34/22/37/1100342237.db2.gz DZUYQYPSVRWLJS-HKUYNNGSSA-N 2 1 354.494 4.102 20 0 FIADMP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536834228 1100344428 /nfs/dbraw/zinc/34/44/28/1100344428.db2.gz UGFTZGCBFVHAQB-JPYJTQIMSA-N 2 1 368.521 4.025 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@@H]4CC[N@@H+](C)[C@@H](C)C4)cc3)ccc2O1 ZINC000536842168 1100355261 /nfs/dbraw/zinc/35/52/61/1100355261.db2.gz WLQHAHIDKNDPLD-GSHUGGBRSA-N 2 1 350.506 4.249 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000536847764 1100359118 /nfs/dbraw/zinc/35/91/18/1100359118.db2.gz WSZGXAUKEDUZDY-WMZHIEFXSA-N 2 1 374.532 4.181 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000536849376 1100362701 /nfs/dbraw/zinc/36/27/01/1100362701.db2.gz BVPNXBMKEACTDV-CVDCTZTESA-N 2 1 352.522 4.128 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000536849376 1100362713 /nfs/dbraw/zinc/36/27/13/1100362713.db2.gz BVPNXBMKEACTDV-CVDCTZTESA-N 2 1 352.522 4.128 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425939193 1100362666 /nfs/dbraw/zinc/36/26/66/1100362666.db2.gz ZDZXFOUBSIDOLJ-RXVVDRJESA-N 2 1 357.929 4.340 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000536853093 1100368026 /nfs/dbraw/zinc/36/80/26/1100368026.db2.gz PRBDNBAURUGOMJ-PXNSSMCTSA-N 2 1 364.961 4.098 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000536831714 1100369350 /nfs/dbraw/zinc/36/93/50/1100369350.db2.gz IWQUORBOCHSAPT-RBUKOAKNSA-N 2 1 374.573 4.235 20 0 FIADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(Br)c1 ZINC000536866407 1100383977 /nfs/dbraw/zinc/38/39/77/1100383977.db2.gz ZWMSMGUAQSTSAN-DYVFJYSZSA-N 2 1 350.304 4.331 20 0 FIADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(Br)c1 ZINC000536866409 1100384207 /nfs/dbraw/zinc/38/42/07/1100384207.db2.gz ZWMSMGUAQSTSAN-SUMWQHHRSA-N 2 1 350.304 4.331 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)C[C@H](C)O1 ZINC000438112137 1100436356 /nfs/dbraw/zinc/43/63/56/1100436356.db2.gz DRUAGBCPRLMUKU-CALCHBBNSA-N 2 1 373.516 4.018 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000517571614 1100506178 /nfs/dbraw/zinc/50/61/78/1100506178.db2.gz ZDMOUPQDAGUYSO-FXAWDEMLSA-N 2 1 357.542 4.297 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1)C1CC1 ZINC000517693297 1100609229 /nfs/dbraw/zinc/60/92/29/1100609229.db2.gz MQOZYSQMFOJJPS-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000426030775 1100697254 /nfs/dbraw/zinc/69/72/54/1100697254.db2.gz PJSLDJRBDRIVKK-JZWVFAODSA-N 2 1 364.533 4.053 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000426030775 1100697258 /nfs/dbraw/zinc/69/72/58/1100697258.db2.gz PJSLDJRBDRIVKK-JZWVFAODSA-N 2 1 364.533 4.053 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000426030774 1100697430 /nfs/dbraw/zinc/69/74/30/1100697430.db2.gz PJSLDJRBDRIVKK-HARLFGEKSA-N 2 1 364.533 4.053 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000426030774 1100697432 /nfs/dbraw/zinc/69/74/32/1100697432.db2.gz PJSLDJRBDRIVKK-HARLFGEKSA-N 2 1 364.533 4.053 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccccc3)CC1)C2 ZINC000426052622 1100740773 /nfs/dbraw/zinc/74/07/73/1100740773.db2.gz YYDGENUXORSFGH-AVRDEDQJSA-N 2 1 364.533 4.368 20 0 FIADMP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1Oc1cccnc1 ZINC000506354982 1100905693 /nfs/dbraw/zinc/90/56/93/1100905693.db2.gz FQTDGRLBDBPBOQ-UHFFFAOYSA-N 2 1 353.510 4.487 20 0 FIADMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1Oc1cccnc1 ZINC000506354982 1100905694 /nfs/dbraw/zinc/90/56/94/1100905694.db2.gz FQTDGRLBDBPBOQ-UHFFFAOYSA-N 2 1 353.510 4.487 20 0 FIADMP CCOc1c(Cl)cccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426163364 1100932843 /nfs/dbraw/zinc/93/28/43/1100932843.db2.gz VRTMUPBEOVXZGI-UHFFFAOYSA-N 2 1 373.928 4.482 20 0 FIADMP CCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OCC(C)C ZINC000506383062 1100948064 /nfs/dbraw/zinc/94/80/64/1100948064.db2.gz FMVVHYVXTHAGMB-UHFFFAOYSA-N 2 1 362.558 4.425 20 0 FIADMP CCOc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OCC(C)C ZINC000506383062 1100948066 /nfs/dbraw/zinc/94/80/66/1100948066.db2.gz FMVVHYVXTHAGMB-UHFFFAOYSA-N 2 1 362.558 4.425 20 0 FIADMP CCc1noc(CC)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438836179 1100954256 /nfs/dbraw/zinc/95/42/56/1100954256.db2.gz MYCKLAXUUYIRPV-UHFFFAOYSA-N 2 1 355.526 4.332 20 0 FIADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1)CC(C)C ZINC000536887816 1101304982 /nfs/dbraw/zinc/30/49/82/1101304982.db2.gz BVYKMDXSGJAEOF-KRWDZBQOSA-N 2 1 350.551 4.334 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1)CC(C)C ZINC000536887816 1101304991 /nfs/dbraw/zinc/30/49/91/1101304991.db2.gz BVYKMDXSGJAEOF-KRWDZBQOSA-N 2 1 350.551 4.334 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459722400 1101345240 /nfs/dbraw/zinc/34/52/40/1101345240.db2.gz BFZMZLRXHGOEMP-SFHVURJKSA-N 2 1 374.960 4.023 20 0 FIADMP CC(C)[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536963025 1101359513 /nfs/dbraw/zinc/35/95/13/1101359513.db2.gz NOEKHOMBTBITOY-HXUWFJFHSA-N 2 1 359.514 4.475 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000459740213 1101366671 /nfs/dbraw/zinc/36/66/71/1101366671.db2.gz TYYKXSIIQIDOCL-IBGZPJMESA-N 2 1 366.553 4.047 20 0 FIADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000506586278 1101467909 /nfs/dbraw/zinc/46/79/09/1101467909.db2.gz KOCDJECJBNDQQK-UHFFFAOYSA-N 2 1 359.739 4.266 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000537107473 1101473326 /nfs/dbraw/zinc/47/33/26/1101473326.db2.gz CJDHDRPBBGOGQI-NRFANRHFSA-N 2 1 356.485 4.410 20 0 FIADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000537306210 1101629407 /nfs/dbraw/zinc/62/94/07/1101629407.db2.gz CUSVBFXTPHPNAU-YVEFUNNKSA-N 2 1 368.294 4.470 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000537308408 1101636672 /nfs/dbraw/zinc/63/66/72/1101636672.db2.gz VXPSMDJBKNDTSY-MORSLUCNSA-N 2 1 362.901 4.115 20 0 FIADMP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001168166514 1101782311 /nfs/dbraw/zinc/78/23/11/1101782311.db2.gz JHVQDPPZRQACQG-INIZCTEOSA-N 2 1 358.913 4.230 20 0 FIADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1OC(F)(F)F ZINC001167965382 1101840876 /nfs/dbraw/zinc/84/08/76/1101840876.db2.gz DJSZLZDJNUJRBL-MQVJKMGUSA-N 2 1 372.406 4.219 20 0 FIADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1OC(F)(F)F ZINC001167965382 1101840893 /nfs/dbraw/zinc/84/08/93/1101840893.db2.gz DJSZLZDJNUJRBL-MQVJKMGUSA-N 2 1 372.406 4.219 20 0 FIADMP CC[N@H+]1CCCN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC1 ZINC000105350986 1102209645 /nfs/dbraw/zinc/20/96/45/1102209645.db2.gz KZOYSZIGKOYZFU-UHFFFAOYSA-N 2 1 372.557 4.011 20 0 FIADMP CC[NH+]1CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000105350986 1102209654 /nfs/dbraw/zinc/20/96/54/1102209654.db2.gz KZOYSZIGKOYZFU-UHFFFAOYSA-N 2 1 372.557 4.011 20 0 FIADMP CC[NH+]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000105350986 1102209663 /nfs/dbraw/zinc/20/96/63/1102209663.db2.gz KZOYSZIGKOYZFU-UHFFFAOYSA-N 2 1 372.557 4.011 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476883 1102234897 /nfs/dbraw/zinc/23/48/97/1102234897.db2.gz FAMVMPNLSSAJLU-DEOSSOPVSA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476883 1102234904 /nfs/dbraw/zinc/23/49/04/1102234904.db2.gz FAMVMPNLSSAJLU-DEOSSOPVSA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476883 1102234916 /nfs/dbraw/zinc/23/49/16/1102234916.db2.gz FAMVMPNLSSAJLU-DEOSSOPVSA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476883 1102234928 /nfs/dbraw/zinc/23/49/28/1102234928.db2.gz FAMVMPNLSSAJLU-DEOSSOPVSA-N 2 1 360.501 4.060 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC4=Cc5ccccc5OC4)C3)C2)cc1 ZINC000519476883 1102234940 /nfs/dbraw/zinc/23/49/40/1102234940.db2.gz FAMVMPNLSSAJLU-DEOSSOPVSA-N 2 1 360.501 4.060 20 0 FIADMP CCn1nc(C)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630683 1102271256 /nfs/dbraw/zinc/27/12/56/1102271256.db2.gz BZEWVSLPWORQDB-LAUBAEHRSA-N 2 1 354.542 4.005 20 0 FIADMP CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000537630683 1102271266 /nfs/dbraw/zinc/27/12/66/1102271266.db2.gz BZEWVSLPWORQDB-LAUBAEHRSA-N 2 1 354.542 4.005 20 0 FIADMP C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648506065 1102296449 /nfs/dbraw/zinc/29/64/49/1102296449.db2.gz QJDFWGKNZYGZFL-RDJZCZTQSA-N 2 1 369.896 4.481 20 0 FIADMP C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648506065 1102296460 /nfs/dbraw/zinc/29/64/60/1102296460.db2.gz QJDFWGKNZYGZFL-RDJZCZTQSA-N 2 1 369.896 4.481 20 0 FIADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000532442822 1102331396 /nfs/dbraw/zinc/33/13/96/1102331396.db2.gz LQSPPTFXKTWPRM-CRAIPNDOSA-N 2 1 363.958 4.041 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000532453881 1102349032 /nfs/dbraw/zinc/34/90/32/1102349032.db2.gz SJURONJSQOYRRX-CYBMUJFWSA-N 2 1 357.311 4.359 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000121238725 1102354439 /nfs/dbraw/zinc/35/44/39/1102354439.db2.gz JWXOKLWDAQWERD-OALUTQOASA-N 2 1 352.522 4.262 20 0 FIADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000532479642 1102422979 /nfs/dbraw/zinc/42/29/79/1102422979.db2.gz LJHLELNHPRDGFZ-YOEHRIQHSA-N 2 1 364.942 4.176 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(-n3ccnc3)c2)cc1 ZINC000532501307 1102429928 /nfs/dbraw/zinc/42/99/28/1102429928.db2.gz VTSYTEUOHCABFN-QGZVFWFLSA-N 2 1 357.461 4.217 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488673 1102430286 /nfs/dbraw/zinc/43/02/86/1102430286.db2.gz XOWCKHHFOQVKMX-CKEIUWERSA-N 2 1 353.348 4.045 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000532500927 1102431741 /nfs/dbraw/zinc/43/17/41/1102431741.db2.gz RMOATJYQPLOLOK-FCEWJHQRSA-N 2 1 368.949 4.136 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000532524397 1102443476 /nfs/dbraw/zinc/44/34/76/1102443476.db2.gz FSFSHFVWLILMJS-RVKKMQEKSA-N 2 1 354.460 4.445 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)cc1 ZINC000532550256 1102464523 /nfs/dbraw/zinc/46/45/23/1102464523.db2.gz ZXPHYJJNNGIQFQ-CQSZACIVSA-N 2 1 357.404 4.189 20 0 FIADMP CC1CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001168214668 1102491892 /nfs/dbraw/zinc/49/18/92/1102491892.db2.gz CUCGQOUXJHGXAA-SSXYFDDISA-N 2 1 360.586 4.026 20 0 FIADMP CC1CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001168214668 1102491897 /nfs/dbraw/zinc/49/18/97/1102491897.db2.gz CUCGQOUXJHGXAA-SSXYFDDISA-N 2 1 360.586 4.026 20 0 FIADMP CC1CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001168214668 1102491902 /nfs/dbraw/zinc/49/19/02/1102491902.db2.gz CUCGQOUXJHGXAA-SSXYFDDISA-N 2 1 360.586 4.026 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167974816 1102565497 /nfs/dbraw/zinc/56/54/97/1102565497.db2.gz AEEXUUABIVWWGE-MJOFCKKISA-N 3 1 367.581 4.164 20 0 FIADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167974816 1102565513 /nfs/dbraw/zinc/56/55/13/1102565513.db2.gz AEEXUUABIVWWGE-MJOFCKKISA-N 3 1 367.581 4.164 20 0 FIADMP [NH3+][C@H]1CC[C@H]([NH+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167974816 1102565520 /nfs/dbraw/zinc/56/55/20/1102565520.db2.gz AEEXUUABIVWWGE-MJOFCKKISA-N 3 1 367.581 4.164 20 0 FIADMP Cc1nnc([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835590 1102648224 /nfs/dbraw/zinc/64/82/24/1102648224.db2.gz DIIMKLCQIXXSLW-JXFKEZNVSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1nnc([C@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835590 1102648228 /nfs/dbraw/zinc/64/82/28/1102648228.db2.gz DIIMKLCQIXXSLW-JXFKEZNVSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1nc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000664835415 1102650422 /nfs/dbraw/zinc/65/04/22/1102650422.db2.gz FLJNTKFBLAOQTL-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1nc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000664835415 1102650432 /nfs/dbraw/zinc/65/04/32/1102650432.db2.gz FLJNTKFBLAOQTL-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252205 1102651283 /nfs/dbraw/zinc/65/12/83/1102651283.db2.gz OBMNHEZHULYOMR-NJDAHSKKSA-N 2 1 368.496 4.074 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000550882053 1102653452 /nfs/dbraw/zinc/65/34/52/1102653452.db2.gz HPYKZMUOLWBWHY-PRTQVNTJSA-N 2 1 370.581 4.330 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000537345700 1102683784 /nfs/dbraw/zinc/68/37/84/1102683784.db2.gz ZCJYTLUQEVWBEE-UHFFFAOYSA-N 2 1 350.384 4.317 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1Cl ZINC000550933650 1102712486 /nfs/dbraw/zinc/71/24/86/1102712486.db2.gz ULJKCPSYMXCONZ-ICSRJNTNSA-N 2 1 358.913 4.316 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1Cl ZINC000550933650 1102712495 /nfs/dbraw/zinc/71/24/95/1102712495.db2.gz ULJKCPSYMXCONZ-ICSRJNTNSA-N 2 1 358.913 4.316 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH2+]CC)c2)cc1 ZINC000428565220 1102719033 /nfs/dbraw/zinc/71/90/33/1102719033.db2.gz GYULSMHRTOHABX-UHFFFAOYSA-N 2 1 353.510 4.280 20 0 FIADMP CC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660923 1102785177 /nfs/dbraw/zinc/78/51/77/1102785177.db2.gz KATVLOPCKVHCEJ-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660923 1102785183 /nfs/dbraw/zinc/78/51/83/1102785183.db2.gz KATVLOPCKVHCEJ-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660923 1102785197 /nfs/dbraw/zinc/78/51/97/1102785197.db2.gz KATVLOPCKVHCEJ-QHCPKHFHSA-N 2 1 374.532 4.216 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000551013470 1102788577 /nfs/dbraw/zinc/78/85/77/1102788577.db2.gz BYUFYGOVVRKVIV-RPWUZVMVSA-N 2 1 365.565 4.452 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013470 1102788586 /nfs/dbraw/zinc/78/85/86/1102788586.db2.gz BYUFYGOVVRKVIV-RPWUZVMVSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013470 1102788600 /nfs/dbraw/zinc/78/86/00/1102788600.db2.gz BYUFYGOVVRKVIV-RPWUZVMVSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013470 1102788614 /nfs/dbraw/zinc/78/86/14/1102788614.db2.gz BYUFYGOVVRKVIV-RPWUZVMVSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551013470 1102788626 /nfs/dbraw/zinc/78/86/26/1102788626.db2.gz BYUFYGOVVRKVIV-RPWUZVMVSA-N 3 1 365.565 4.452 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000506864869 1102917188 /nfs/dbraw/zinc/91/71/88/1102917188.db2.gz CRRNPECFECTHCE-UHFFFAOYSA-N 2 1 358.505 4.160 20 0 FIADMP C[NH+](C)CC1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000506876245 1102935981 /nfs/dbraw/zinc/93/59/81/1102935981.db2.gz QXJSKENJPRORRW-UHFFFAOYSA-N 2 1 368.365 4.498 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000551174794 1102948851 /nfs/dbraw/zinc/94/88/51/1102948851.db2.gz DNYDGNDSBRXOCU-YADHBBJMSA-N 2 1 352.522 4.497 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000551174794 1102948855 /nfs/dbraw/zinc/94/88/55/1102948855.db2.gz DNYDGNDSBRXOCU-YADHBBJMSA-N 2 1 352.522 4.497 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000551174517 1102948914 /nfs/dbraw/zinc/94/89/14/1102948914.db2.gz CXTJJYSDAPWWDG-KAOXLYBCSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000551174517 1102948917 /nfs/dbraw/zinc/94/89/17/1102948917.db2.gz CXTJJYSDAPWWDG-KAOXLYBCSA-N 2 1 350.506 4.189 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000537696073 1102962582 /nfs/dbraw/zinc/96/25/82/1102962582.db2.gz DFEKWYXMBJZPNG-NQSCKRDGSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000537696073 1102962588 /nfs/dbraw/zinc/96/25/88/1102962588.db2.gz DFEKWYXMBJZPNG-NQSCKRDGSA-N 2 1 372.484 4.078 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccc2)c1 ZINC000537698607 1102985433 /nfs/dbraw/zinc/98/54/33/1102985433.db2.gz UVUQYQDHWMJRFK-ZLNRFVROSA-N 2 1 350.506 4.037 20 0 FIADMP CCCCc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000476990975 1102994530 /nfs/dbraw/zinc/99/45/30/1102994530.db2.gz XXNCVGGDVIRALK-ROUUACIJSA-N 2 1 362.562 4.450 20 0 FIADMP CCCCc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000476990975 1102994536 /nfs/dbraw/zinc/99/45/36/1102994536.db2.gz XXNCVGGDVIRALK-ROUUACIJSA-N 2 1 362.562 4.450 20 0 FIADMP Cc1cnn(CCCCC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476985500 1103005479 /nfs/dbraw/zinc/00/54/79/1103005479.db2.gz PZEFPYDJIITCSX-NRFANRHFSA-N 2 1 360.590 4.338 20 0 FIADMP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000551264878 1103021946 /nfs/dbraw/zinc/02/19/46/1103021946.db2.gz DIOLMUYMKCWGSQ-QHCPKHFHSA-N 2 1 350.506 4.066 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000189733769 1103046207 /nfs/dbraw/zinc/04/62/07/1103046207.db2.gz LBARYEJZYVOTFY-UHFFFAOYSA-N 2 1 356.695 4.130 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000189733769 1103046225 /nfs/dbraw/zinc/04/62/25/1103046225.db2.gz LBARYEJZYVOTFY-UHFFFAOYSA-N 2 1 356.695 4.130 20 0 FIADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459382342 1103099741 /nfs/dbraw/zinc/09/97/41/1103099741.db2.gz DHSDRHOKKYZLMP-JOUQPQNBSA-N 2 1 362.517 4.495 20 0 FIADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001203214039 1103250005 /nfs/dbraw/zinc/25/00/05/1103250005.db2.gz BBZBVTZYTLUCDO-DLBZAZTESA-N 2 1 353.348 4.233 20 0 FIADMP CCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507377065 1103333223 /nfs/dbraw/zinc/33/32/23/1103333223.db2.gz HQQJRPNISWUVLE-SFHVURJKSA-N 2 1 362.477 4.112 20 0 FIADMP Clc1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995752 1103335773 /nfs/dbraw/zinc/33/57/73/1103335773.db2.gz ZEBPWBMXGNMQKP-IBGZPJMESA-N 2 1 371.912 4.078 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCO2 ZINC000507515403 1103456219 /nfs/dbraw/zinc/45/62/19/1103456219.db2.gz UVSVHMBVPJQYGO-GUGJDKNPSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCO2 ZINC000507515403 1103456226 /nfs/dbraw/zinc/45/62/26/1103456226.db2.gz UVSVHMBVPJQYGO-GUGJDKNPSA-N 2 1 366.480 4.150 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000507530889 1103474251 /nfs/dbraw/zinc/47/42/51/1103474251.db2.gz QOTQJQAKXIYRHC-ZJSXRUAMSA-N 2 1 366.549 4.484 20 0 FIADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000551779177 1103626447 /nfs/dbraw/zinc/62/64/47/1103626447.db2.gz RJQALZFIFKYGJI-VKFKNLQPSA-N 2 1 364.533 4.299 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000519863484 1103912675 /nfs/dbraw/zinc/91/26/75/1103912675.db2.gz TXSFJQKDAJRARH-LEWJYISDSA-N 2 1 354.542 4.076 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000538169283 1104006147 /nfs/dbraw/zinc/00/61/47/1104006147.db2.gz KOOYFDJFKSUDQK-FQEVSTJZSA-N 2 1 353.441 4.131 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000538169284 1104006246 /nfs/dbraw/zinc/00/62/46/1104006246.db2.gz KOOYFDJFKSUDQK-HXUWFJFHSA-N 2 1 353.441 4.131 20 0 FIADMP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394959 1104329085 /nfs/dbraw/zinc/32/90/85/1104329085.db2.gz QFBIAHQGEOXWAT-HRAATJIYSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000441394959 1104329097 /nfs/dbraw/zinc/32/90/97/1104329097.db2.gz QFBIAHQGEOXWAT-HRAATJIYSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000441394959 1104329104 /nfs/dbraw/zinc/32/91/04/1104329104.db2.gz QFBIAHQGEOXWAT-HRAATJIYSA-N 2 1 371.912 4.444 20 0 FIADMP Clc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000441394959 1104329114 /nfs/dbraw/zinc/32/91/14/1104329114.db2.gz QFBIAHQGEOXWAT-HRAATJIYSA-N 2 1 371.912 4.444 20 0 FIADMP Cc1ccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995840 1104567797 /nfs/dbraw/zinc/56/77/97/1104567797.db2.gz RTHQXSZUVDRKLF-FANLQWHUSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1ccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167995840 1104567803 /nfs/dbraw/zinc/56/78/03/1104567803.db2.gz RTHQXSZUVDRKLF-FANLQWHUSA-N 2 1 354.538 4.244 20 0 FIADMP Cc1ccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995840 1104567805 /nfs/dbraw/zinc/56/78/05/1104567805.db2.gz RTHQXSZUVDRKLF-FANLQWHUSA-N 2 1 354.538 4.244 20 0 FIADMP COc1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1OC ZINC001167995875 1104574939 /nfs/dbraw/zinc/57/49/39/1104574939.db2.gz UASFGZVAZCTOSG-JKWVGCSGSA-N 2 1 370.537 4.246 20 0 FIADMP COc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1OC ZINC001167995875 1104574949 /nfs/dbraw/zinc/57/49/49/1104574949.db2.gz UASFGZVAZCTOSG-JKWVGCSGSA-N 2 1 370.537 4.246 20 0 FIADMP COc1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167995875 1104574958 /nfs/dbraw/zinc/57/49/58/1104574958.db2.gz UASFGZVAZCTOSG-JKWVGCSGSA-N 2 1 370.537 4.246 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000520604395 1105036749 /nfs/dbraw/zinc/03/67/49/1105036749.db2.gz RIDNRMLYUZGZIB-AZUAARDMSA-N 2 1 360.505 4.159 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000520604395 1105036754 /nfs/dbraw/zinc/03/67/54/1105036754.db2.gz RIDNRMLYUZGZIB-AZUAARDMSA-N 2 1 360.505 4.159 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ncc(Br)cc1F ZINC000427604220 1105045011 /nfs/dbraw/zinc/04/50/11/1105045011.db2.gz OEVCOYGXUQZREK-UONOGXRCSA-N 2 1 372.326 4.288 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005191 1105076086 /nfs/dbraw/zinc/07/60/86/1105076086.db2.gz HUDSRRRUDKSMTR-GMQQQROESA-N 2 1 350.506 4.021 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404191 1105087298 /nfs/dbraw/zinc/08/72/98/1105087298.db2.gz VEFFDCGSLILGOV-ICSRJNTNSA-N 2 1 350.506 4.401 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404191 1105087306 /nfs/dbraw/zinc/08/73/06/1105087306.db2.gz VEFFDCGSLILGOV-ICSRJNTNSA-N 2 1 350.506 4.401 20 0 FIADMP Cc1cc(F)cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001143587380 1105098102 /nfs/dbraw/zinc/09/81/02/1105098102.db2.gz ILZYDEIQLRZGMV-UHFFFAOYSA-N 2 1 367.512 4.406 20 0 FIADMP COC(=O)c1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008148 1105164546 /nfs/dbraw/zinc/16/45/46/1105164546.db2.gz CWZBBEZYYHKKJQ-ROUUACIJSA-N 2 1 366.505 4.004 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168010725 1105302461 /nfs/dbraw/zinc/30/24/61/1105302461.db2.gz KTTOWCAFOUVVKR-ROUUACIJSA-N 2 1 365.521 4.176 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000520793179 1105357923 /nfs/dbraw/zinc/35/79/23/1105357923.db2.gz QXRMXHLQMQCING-QFIPXVFZSA-N 2 1 373.585 4.040 20 0 FIADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc2cccnc12 ZINC000475346773 1106745339 /nfs/dbraw/zinc/74/53/39/1106745339.db2.gz IFZDXBGKPQBMHV-ZRZAMGCNSA-N 2 1 357.501 4.107 20 0 FIADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc2cccnc12 ZINC000475346773 1106745352 /nfs/dbraw/zinc/74/53/52/1106745352.db2.gz IFZDXBGKPQBMHV-ZRZAMGCNSA-N 2 1 357.501 4.107 20 0 FIADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc2cccnc12 ZINC000475346773 1106745362 /nfs/dbraw/zinc/74/53/62/1106745362.db2.gz IFZDXBGKPQBMHV-ZRZAMGCNSA-N 2 1 357.501 4.107 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)OCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063890 1106833708 /nfs/dbraw/zinc/83/37/08/1106833708.db2.gz NTMFMGJWKBDBTC-RMFSNUHRSA-N 2 1 366.505 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)OCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063890 1106833715 /nfs/dbraw/zinc/83/37/15/1106833715.db2.gz NTMFMGJWKBDBTC-RMFSNUHRSA-N 2 1 366.505 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063890 1106833730 /nfs/dbraw/zinc/83/37/30/1106833730.db2.gz NTMFMGJWKBDBTC-RMFSNUHRSA-N 2 1 366.505 4.289 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063890 1106833744 /nfs/dbraw/zinc/83/37/44/1106833744.db2.gz NTMFMGJWKBDBTC-RMFSNUHRSA-N 2 1 366.505 4.289 20 0 FIADMP CCOC(=O)[C@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168064332 1106857231 /nfs/dbraw/zinc/85/72/31/1106857231.db2.gz QKNZJFVKJPIRNF-VWNVYAMZSA-N 2 1 372.553 4.092 20 0 FIADMP CCOC(=O)[C@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC001168064332 1106857249 /nfs/dbraw/zinc/85/72/49/1106857249.db2.gz QKNZJFVKJPIRNF-VWNVYAMZSA-N 2 1 372.553 4.092 20 0 FIADMP C[C@@H]1CC([N@@H+]2CCOC3(CCCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064743 1106872520 /nfs/dbraw/zinc/87/25/20/1106872520.db2.gz RSADRDAJTCUHFX-WOJBJXKFSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1CC([N@H+]2CCOC3(CCCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064743 1106872540 /nfs/dbraw/zinc/87/25/40/1106872540.db2.gz RSADRDAJTCUHFX-WOJBJXKFSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000530330310 1106970541 /nfs/dbraw/zinc/97/05/41/1106970541.db2.gz ATPKCPQWIOPLIX-DZGCQCFKSA-N 2 1 369.987 4.102 20 0 FIADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000530330313 1106970761 /nfs/dbraw/zinc/97/07/61/1106970761.db2.gz ATPKCPQWIOPLIX-ZFWWWQNUSA-N 2 1 369.987 4.102 20 0 FIADMP C[NH+](C)[C@H](CNc1cc[nH+]c2cc(Br)ccc12)c1ccco1 ZINC000301316156 1106989678 /nfs/dbraw/zinc/98/96/78/1106989678.db2.gz NFWFOQHUVPCDLO-MRXNPFEDSA-N 2 1 360.255 4.305 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000301356464 1107002843 /nfs/dbraw/zinc/00/28/43/1107002843.db2.gz KXGAZABELRQEMV-INIZCTEOSA-N 2 1 374.326 4.452 20 0 FIADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301717553 1107120966 /nfs/dbraw/zinc/12/09/66/1107120966.db2.gz ODMBNSLSMVARSU-KDOFPFPSSA-N 2 1 361.436 4.065 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000530714391 1107262606 /nfs/dbraw/zinc/26/26/06/1107262606.db2.gz OSTYKWSJHFHDGW-SFTDATJTSA-N 2 1 352.526 4.134 20 0 FIADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000392636244 1107285021 /nfs/dbraw/zinc/28/50/21/1107285021.db2.gz METXCUFNCKYHBP-OAHLLOKOSA-N 2 1 355.507 4.376 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000392636244 1107285044 /nfs/dbraw/zinc/28/50/44/1107285044.db2.gz METXCUFNCKYHBP-OAHLLOKOSA-N 2 1 355.507 4.376 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228655560 1107566607 /nfs/dbraw/zinc/56/66/07/1107566607.db2.gz WHKBBUGAYAPKPO-HXUWFJFHSA-N 2 1 373.585 4.159 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228655560 1107566619 /nfs/dbraw/zinc/56/66/19/1107566619.db2.gz WHKBBUGAYAPKPO-HXUWFJFHSA-N 2 1 373.585 4.159 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228655560 1107566628 /nfs/dbraw/zinc/56/66/28/1107566628.db2.gz WHKBBUGAYAPKPO-HXUWFJFHSA-N 2 1 373.585 4.159 20 0 FIADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000531677336 1108064567 /nfs/dbraw/zinc/06/45/67/1108064567.db2.gz PVDPEYQMUTUHLZ-UONOGXRCSA-N 2 1 369.987 4.102 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000531707111 1108086119 /nfs/dbraw/zinc/08/61/19/1108086119.db2.gz ZPJDGOIDLNDVSM-HBUWYVDXSA-N 2 1 358.448 4.311 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000531707111 1108086134 /nfs/dbraw/zinc/08/61/34/1108086134.db2.gz ZPJDGOIDLNDVSM-HBUWYVDXSA-N 2 1 358.448 4.311 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531712113 1108090620 /nfs/dbraw/zinc/09/06/20/1108090620.db2.gz JCPHYYUBRBNBJI-LSJNQWAISA-N 2 1 370.459 4.038 20 0 FIADMP COc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000531694205 1108097395 /nfs/dbraw/zinc/09/73/95/1108097395.db2.gz HWCLOHRXJHXWIU-INIZCTEOSA-N 2 1 365.477 4.091 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057859 1108134868 /nfs/dbraw/zinc/13/48/68/1108134868.db2.gz FRQZKPYMDQLKIW-TWFHAPMSSA-N 2 1 352.526 4.157 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057859 1108134874 /nfs/dbraw/zinc/13/48/74/1108134874.db2.gz FRQZKPYMDQLKIW-TWFHAPMSSA-N 2 1 352.526 4.157 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057858 1108135587 /nfs/dbraw/zinc/13/55/87/1108135587.db2.gz FRQZKPYMDQLKIW-NYUBLWNDSA-N 2 1 352.526 4.157 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057858 1108135592 /nfs/dbraw/zinc/13/55/92/1108135592.db2.gz FRQZKPYMDQLKIW-NYUBLWNDSA-N 2 1 352.526 4.157 20 0 FIADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453127594 1108205380 /nfs/dbraw/zinc/20/53/80/1108205380.db2.gz PPGBOQLOEPGLFB-DNVJHFABSA-N 2 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453127594 1108205391 /nfs/dbraw/zinc/20/53/91/1108205391.db2.gz PPGBOQLOEPGLFB-DNVJHFABSA-N 3 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453127594 1108205401 /nfs/dbraw/zinc/20/54/01/1108205401.db2.gz PPGBOQLOEPGLFB-DNVJHFABSA-N 3 1 366.553 4.005 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453197597 1108266731 /nfs/dbraw/zinc/26/67/31/1108266731.db2.gz NLIHLQDPXQGPOW-WSTZPKSXSA-N 2 1 366.553 4.391 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453205610 1108274935 /nfs/dbraw/zinc/27/49/35/1108274935.db2.gz HAJWMPHFCRIWCQ-FDTLVRFQSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294639 1108370363 /nfs/dbraw/zinc/37/03/63/1108370363.db2.gz WTDPKVHDSHEQFK-MAUKXSAKSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294639 1108370378 /nfs/dbraw/zinc/37/03/78/1108370378.db2.gz WTDPKVHDSHEQFK-MAUKXSAKSA-N 2 1 363.427 4.101 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932427 1108403953 /nfs/dbraw/zinc/40/39/53/1108403953.db2.gz GSLYYZYKURPXML-WBVHZDCISA-N 2 1 363.596 4.011 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000531932639 1108404143 /nfs/dbraw/zinc/40/41/43/1108404143.db2.gz BLLKPISQOJOZQE-OPAMFIHVSA-N 2 1 366.484 4.273 20 0 FIADMP CCN(CC)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000531932673 1108404422 /nfs/dbraw/zinc/40/44/22/1108404422.db2.gz SBSFMHHYSGTEHL-NRFANRHFSA-N 2 1 363.977 4.187 20 0 FIADMP FCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000453316456 1108405723 /nfs/dbraw/zinc/40/57/23/1108405723.db2.gz WVOFXCWRWJQXOW-BHIFYINESA-N 2 1 374.544 4.033 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000531936102 1108410284 /nfs/dbraw/zinc/41/02/84/1108410284.db2.gz CMRLWPBPUARYKA-MOPGFXCFSA-N 2 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000531936102 1108410294 /nfs/dbraw/zinc/41/02/94/1108410294.db2.gz CMRLWPBPUARYKA-MOPGFXCFSA-N 3 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000531936102 1108410306 /nfs/dbraw/zinc/41/03/06/1108410306.db2.gz CMRLWPBPUARYKA-MOPGFXCFSA-N 3 1 354.542 4.486 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4c3cccc4Cl)CC2)oc1C ZINC000531969930 1108476105 /nfs/dbraw/zinc/47/61/05/1108476105.db2.gz XDZFDJQKJIFXHT-FQEVSTJZSA-N 2 1 373.928 4.434 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453363038 1108478132 /nfs/dbraw/zinc/47/81/32/1108478132.db2.gz QGIBWFFJDXMLQK-NNWRFLSQSA-N 2 1 365.521 4.332 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453363038 1108478210 /nfs/dbraw/zinc/47/82/10/1108478210.db2.gz QGIBWFFJDXMLQK-NNWRFLSQSA-N 2 1 365.521 4.332 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000453395315 1108526857 /nfs/dbraw/zinc/52/68/57/1108526857.db2.gz HSFDQVGALDOKJV-INIZCTEOSA-N 2 1 355.295 4.040 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453602513 1108653157 /nfs/dbraw/zinc/65/31/57/1108653157.db2.gz WGCISVFKJCKFAI-UHFFFAOYSA-N 2 1 374.960 4.166 20 0 FIADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CCCCC2)cc1OC ZINC000532223338 1108721648 /nfs/dbraw/zinc/72/16/48/1108721648.db2.gz KCCIVBBCVYPITK-NLWGTHIKSA-N 2 1 374.569 4.224 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000532234722 1108730712 /nfs/dbraw/zinc/73/07/12/1108730712.db2.gz KZFOOEQNFDNHPU-KYOSRNDESA-N 2 1 355.345 4.058 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000532234722 1108730719 /nfs/dbraw/zinc/73/07/19/1108730719.db2.gz KZFOOEQNFDNHPU-KYOSRNDESA-N 2 1 355.345 4.058 20 0 FIADMP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3ccc(Br)cc31)CC2 ZINC000445596123 1108910048 /nfs/dbraw/zinc/91/00/48/1108910048.db2.gz JUFTWURHAVKIGD-UHFFFAOYSA-N 2 1 360.299 4.062 20 0 FIADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c3ccc(Br)cc31)CC2 ZINC000445596123 1108910051 /nfs/dbraw/zinc/91/00/51/1108910051.db2.gz JUFTWURHAVKIGD-UHFFFAOYSA-N 2 1 360.299 4.062 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000524639945 1109101638 /nfs/dbraw/zinc/10/16/38/1109101638.db2.gz AJXZYEJCOHSRLF-QFIPXVFZSA-N 2 1 352.522 4.130 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753202 1109329237 /nfs/dbraw/zinc/32/92/37/1109329237.db2.gz RBZREECCTYPQAZ-BLLLJJGKSA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753202 1109329240 /nfs/dbraw/zinc/32/92/40/1109329240.db2.gz RBZREECCTYPQAZ-BLLLJJGKSA-N 2 1 359.739 4.485 20 0 FIADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835791 1109356749 /nfs/dbraw/zinc/35/67/49/1109356749.db2.gz QLHSPOKCKRRKEO-VGSWGCGISA-N 2 1 366.530 4.189 20 0 FIADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835791 1109356751 /nfs/dbraw/zinc/35/67/51/1109356751.db2.gz QLHSPOKCKRRKEO-VGSWGCGISA-N 2 1 366.530 4.189 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000525404330 1109373685 /nfs/dbraw/zinc/37/36/85/1109373685.db2.gz YGIYMISEVRELSC-UHFFFAOYSA-N 2 1 362.949 4.022 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000525404330 1109373690 /nfs/dbraw/zinc/37/36/90/1109373690.db2.gz YGIYMISEVRELSC-UHFFFAOYSA-N 2 1 362.949 4.022 20 0 FIADMP C[N@@H+](CC/C=C\c1ccc(Br)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525518127 1109410324 /nfs/dbraw/zinc/41/03/24/1109410324.db2.gz YSCXEGCPAHMOLH-GPCFVJJQSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C\c1ccc(Br)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000525518127 1109410329 /nfs/dbraw/zinc/41/03/29/1109410329.db2.gz YSCXEGCPAHMOLH-GPCFVJJQSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C\c1ccc(Br)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525518127 1109410333 /nfs/dbraw/zinc/41/03/33/1109410333.db2.gz YSCXEGCPAHMOLH-GPCFVJJQSA-N 2 1 351.332 4.126 20 0 FIADMP COc1ccc(C[C@H](C)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1F ZINC000447057616 1109425771 /nfs/dbraw/zinc/42/57/71/1109425771.db2.gz GBDSGOPSALNXPK-INIZCTEOSA-N 2 1 372.484 4.260 20 0 FIADMP COc1ccc2oc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc2c1 ZINC000447066774 1109429113 /nfs/dbraw/zinc/42/91/13/1109429113.db2.gz LJHQIJWVZDFMGP-UHFFFAOYSA-N 2 1 352.434 4.188 20 0 FIADMP C[NH+](C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000447523853 1109560072 /nfs/dbraw/zinc/56/00/72/1109560072.db2.gz WULKSGYXNMLQTL-DKUWSORSSA-N 2 1 355.570 4.036 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000447532979 1109569097 /nfs/dbraw/zinc/56/90/97/1109569097.db2.gz WEELYXBKZVNACW-DLBZAZTESA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000447532979 1109569102 /nfs/dbraw/zinc/56/91/02/1109569102.db2.gz WEELYXBKZVNACW-DLBZAZTESA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000447536269 1109570930 /nfs/dbraw/zinc/57/09/30/1109570930.db2.gz MACBWQIFGPNSJO-QGZVFWFLSA-N 2 1 370.493 4.293 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000447542633 1109573051 /nfs/dbraw/zinc/57/30/51/1109573051.db2.gz PFQGQVRLSJEJPU-IRXDYDNUSA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000447542633 1109573054 /nfs/dbraw/zinc/57/30/54/1109573054.db2.gz PFQGQVRLSJEJPU-IRXDYDNUSA-N 2 1 370.493 4.291 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546304 1109574981 /nfs/dbraw/zinc/57/49/81/1109574981.db2.gz USWDOJDHIOLLCA-YUMYIRISSA-N 2 1 369.578 4.136 20 0 FIADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586196 1109587631 /nfs/dbraw/zinc/58/76/31/1109587631.db2.gz MSMRKFPBCWOCBI-GPJHCHHRSA-N 2 1 368.496 4.298 20 0 FIADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586196 1109587634 /nfs/dbraw/zinc/58/76/34/1109587634.db2.gz MSMRKFPBCWOCBI-GPJHCHHRSA-N 2 1 368.496 4.298 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000447593562 1109590388 /nfs/dbraw/zinc/59/03/88/1109590388.db2.gz SYTGBRZSBYQTOV-BURNTYAHSA-N 2 1 354.494 4.142 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000447593562 1109590391 /nfs/dbraw/zinc/59/03/91/1109590391.db2.gz SYTGBRZSBYQTOV-BURNTYAHSA-N 2 1 354.494 4.142 20 0 FIADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1 ZINC000447933499 1109681999 /nfs/dbraw/zinc/68/19/99/1109681999.db2.gz WXOZRMOTWBKYPG-UHFFFAOYSA-N 2 1 361.555 4.061 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccccc3)cc2)C1 ZINC000447931665 1109682110 /nfs/dbraw/zinc/68/21/10/1109682110.db2.gz OVDDYHOFNVIDKZ-HXUWFJFHSA-N 2 1 374.532 4.394 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448021969 1109695739 /nfs/dbraw/zinc/69/57/39/1109695739.db2.gz LUSOIOCQVBCUOF-PSWRPDDJSA-N 2 1 366.553 4.089 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000448021969 1109695741 /nfs/dbraw/zinc/69/57/41/1109695741.db2.gz LUSOIOCQVBCUOF-PSWRPDDJSA-N 2 1 366.553 4.089 20 0 FIADMP C[N@H+](CCCCOc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000527366063 1109750254 /nfs/dbraw/zinc/75/02/54/1109750254.db2.gz YXTBLRSHLFBTRH-UHFFFAOYSA-N 2 1 352.522 4.442 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000527366063 1109750257 /nfs/dbraw/zinc/75/02/57/1109750257.db2.gz YXTBLRSHLFBTRH-UHFFFAOYSA-N 2 1 352.522 4.442 20 0 FIADMP Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)c1 ZINC000527889062 1109850623 /nfs/dbraw/zinc/85/06/23/1109850623.db2.gz XYYBNONKNGXQDI-PKTZIBPZSA-N 2 1 352.522 4.049 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C2CC2)cn1 ZINC000528042505 1109891383 /nfs/dbraw/zinc/89/13/83/1109891383.db2.gz FWQOROFVRYNQAW-QGCDCVKKSA-N 2 1 357.542 4.174 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C2CC2)cn1 ZINC000528042506 1109891510 /nfs/dbraw/zinc/89/15/10/1109891510.db2.gz FWQOROFVRYNQAW-SAWYMBPVSA-N 2 1 357.542 4.174 20 0 FIADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000449130724 1109981916 /nfs/dbraw/zinc/98/19/16/1109981916.db2.gz HNZPTBYFXAIXJV-UYAOXDASSA-N 2 1 362.945 4.211 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449148527 1109985341 /nfs/dbraw/zinc/98/53/41/1109985341.db2.gz KJCVAKFGOKYGBP-LEWJYISDSA-N 2 1 362.945 4.102 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC000449147841 1109985849 /nfs/dbraw/zinc/98/58/49/1109985849.db2.gz IDWMWQFOPREUCS-LJQANCHMSA-N 2 1 350.522 4.128 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(C)c3F)CC2)cs1 ZINC000449151000 1109985864 /nfs/dbraw/zinc/98/58/64/1109985864.db2.gz VCPVKQKZPRENMO-UHFFFAOYSA-N 2 1 361.530 4.155 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449169374 1109987411 /nfs/dbraw/zinc/98/74/11/1109987411.db2.gz GRWLWIIIAJYELL-QWHCGFSZSA-N 2 1 351.466 4.051 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000449173336 1109988620 /nfs/dbraw/zinc/98/86/20/1109988620.db2.gz FPBLHMQODFXKHO-XMSQKQJNSA-N 2 1 368.569 4.193 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1c(C)nn(C)c1C ZINC000449168485 1109990985 /nfs/dbraw/zinc/99/09/85/1109990985.db2.gz DOELHSWQIMNOAI-VGSWGCGISA-N 2 1 368.569 4.173 20 0 FIADMP CC1(C)CC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC(C)(C)[NH2+]1 ZINC000449217842 1109999806 /nfs/dbraw/zinc/99/98/06/1109999806.db2.gz CGJPXXMBBCDTNH-UHFFFAOYSA-N 2 1 365.493 4.487 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCC(OC4CCCC4)CC3)C2)cc1 ZINC000449295752 1110019722 /nfs/dbraw/zinc/01/97/22/1110019722.db2.gz VBAVDKNWZDGRMG-ZJOBEGKPSA-N 2 1 356.554 4.369 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343236 1110034908 /nfs/dbraw/zinc/03/49/08/1110034908.db2.gz IXGLJMWFHLZNFB-DHIUTWEWSA-N 2 1 370.581 4.474 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH+]2CCC(OCCOC(C)C)CC2)cc1 ZINC000449730763 1110154814 /nfs/dbraw/zinc/15/48/14/1110154814.db2.gz RYKBSQLSWMDMPW-SFHVURJKSA-N 2 1 371.525 4.148 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000449781266 1110168438 /nfs/dbraw/zinc/16/84/38/1110168438.db2.gz HQQLGUFHKYMBCJ-KRWDZBQOSA-N 2 1 356.485 4.020 20 0 FIADMP CC(=O)c1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000450653483 1110325378 /nfs/dbraw/zinc/32/53/78/1110325378.db2.gz PPZICULQOWSXRM-UHFFFAOYSA-N 2 1 351.494 4.023 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000538407790 1111129109 /nfs/dbraw/zinc/12/91/09/1111129109.db2.gz KUSCVWRJMRZQJO-KHSAKVFQSA-N 2 1 356.554 4.080 20 0 FIADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216199 1111167006 /nfs/dbraw/zinc/16/70/06/1111167006.db2.gz UKGJVQPBMMKKDE-CTNGQTDRSA-N 2 1 351.538 4.133 20 0 FIADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216199 1111167007 /nfs/dbraw/zinc/16/70/07/1111167007.db2.gz UKGJVQPBMMKKDE-CTNGQTDRSA-N 2 1 351.538 4.133 20 0 FIADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)C1 ZINC000538551252 1111188988 /nfs/dbraw/zinc/18/89/88/1111188988.db2.gz MIAYKJCQJAQJBI-QFBILLFUSA-N 2 1 356.510 4.037 20 0 FIADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538717081 1111259859 /nfs/dbraw/zinc/25/98/59/1111259859.db2.gz AZQCLKYNVIGHMN-LJQANCHMSA-N 2 1 366.553 4.088 20 0 FIADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538717081 1111259861 /nfs/dbraw/zinc/25/98/61/1111259861.db2.gz AZQCLKYNVIGHMN-LJQANCHMSA-N 2 1 366.553 4.088 20 0 FIADMP C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538730473 1111267080 /nfs/dbraw/zinc/26/70/80/1111267080.db2.gz NTZHGXOZZIMNMR-HXUWFJFHSA-N 2 1 374.475 4.284 20 0 FIADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538730473 1111267085 /nfs/dbraw/zinc/26/70/85/1111267085.db2.gz NTZHGXOZZIMNMR-HXUWFJFHSA-N 2 1 374.475 4.284 20 0 FIADMP C[NH+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538730473 1111267088 /nfs/dbraw/zinc/26/70/88/1111267088.db2.gz NTZHGXOZZIMNMR-HXUWFJFHSA-N 2 1 374.475 4.284 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760857 1111290053 /nfs/dbraw/zinc/29/00/53/1111290053.db2.gz PYLPLXBOFURGAH-MSOLQXFVSA-N 2 1 357.567 4.377 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760857 1111290055 /nfs/dbraw/zinc/29/00/55/1111290055.db2.gz PYLPLXBOFURGAH-MSOLQXFVSA-N 2 1 357.567 4.377 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760859 1111290109 /nfs/dbraw/zinc/29/01/09/1111290109.db2.gz PYLPLXBOFURGAH-ROUUACIJSA-N 2 1 357.567 4.377 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760859 1111290110 /nfs/dbraw/zinc/29/01/10/1111290110.db2.gz PYLPLXBOFURGAH-ROUUACIJSA-N 2 1 357.567 4.377 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000539036622 1111397754 /nfs/dbraw/zinc/39/77/54/1111397754.db2.gz INYKZZYOGXCFJX-GGAORHGYSA-N 2 1 350.506 4.018 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2Br)[C@@H](C)C1 ZINC000539053398 1111401713 /nfs/dbraw/zinc/40/17/13/1111401713.db2.gz FYAWWTPEQSRAGQ-YOEHRIQHSA-N 2 1 353.348 4.047 20 0 FIADMP Cc1cccc2c(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c[nH]c21 ZINC000462113132 1111502046 /nfs/dbraw/zinc/50/20/46/1111502046.db2.gz VRNIDFYZBFZTAP-UHFFFAOYSA-N 2 1 361.533 4.316 20 0 FIADMP CCC1(C[NH2+]C2CCN(CC3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000539296158 1111505701 /nfs/dbraw/zinc/50/57/01/1111505701.db2.gz ZNWONQNTRSWLII-UHFFFAOYSA-N 2 1 369.597 4.143 20 0 FIADMP CC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000552062516 1111562915 /nfs/dbraw/zinc/56/29/15/1111562915.db2.gz ZZXNOASOXDEVDS-BHIFYINESA-N 2 1 356.554 4.084 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)[C@H](C)C1 ZINC000477855786 1111579284 /nfs/dbraw/zinc/57/92/84/1111579284.db2.gz IUSUUQNLMCZSAM-WBMJQRKESA-N 2 1 354.325 4.337 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477869548 1111591232 /nfs/dbraw/zinc/59/12/32/1111591232.db2.gz XUSZAONIWSWPDE-WQGACYEGSA-N 2 1 354.325 4.336 20 0 FIADMP COc1ccsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552273246 1111654654 /nfs/dbraw/zinc/65/46/54/1111654654.db2.gz AIHWDMYENPOHPE-UHFFFAOYSA-N 2 1 356.535 4.245 20 0 FIADMP COc1cccc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000552326194 1111669640 /nfs/dbraw/zinc/66/96/40/1111669640.db2.gz KARYQJADAFVNEM-NQIIRXRSSA-N 2 1 350.506 4.327 20 0 FIADMP COc1cccc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000552326194 1111669645 /nfs/dbraw/zinc/66/96/45/1111669645.db2.gz KARYQJADAFVNEM-NQIIRXRSSA-N 2 1 350.506 4.327 20 0 FIADMP Cc1ccccc1[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000553092258 1111902334 /nfs/dbraw/zinc/90/23/34/1111902334.db2.gz XLAKQWQXUVYPAA-HSZRJFAPSA-N 2 1 352.522 4.314 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](c3cc(F)ccc3F)C(C)C)CC2)nc(C)[nH+]1 ZINC000479065017 1111939398 /nfs/dbraw/zinc/93/93/98/1111939398.db2.gz TWSLASDDPVCIFO-NRFANRHFSA-N 2 1 374.479 4.327 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479253682 1111976398 /nfs/dbraw/zinc/97/63/98/1111976398.db2.gz LXTLKXSLWOHHRK-LJQANCHMSA-N 2 1 370.294 4.333 20 0 FIADMP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000479368080 1112001764 /nfs/dbraw/zinc/00/17/64/1112001764.db2.gz XSPXOXKUZUCUEO-SGTLLEGYSA-N 2 1 367.306 4.113 20 0 FIADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367204 1112001977 /nfs/dbraw/zinc/00/19/77/1112001977.db2.gz WEEBUOHCQHLBOQ-FZKQIMNGSA-N 2 1 363.343 4.245 20 0 FIADMP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000479368081 1112001998 /nfs/dbraw/zinc/00/19/98/1112001998.db2.gz XSPXOXKUZUCUEO-XIKOKIGWSA-N 2 1 367.306 4.113 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)[C@@H](C)C1 ZINC000479525673 1112052359 /nfs/dbraw/zinc/05/23/59/1112052359.db2.gz IFIZLZVYNVTENJ-RYGJVYDSSA-N 2 1 350.934 4.054 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000479536169 1112060992 /nfs/dbraw/zinc/06/09/92/1112060992.db2.gz CHSSHRZOPZIDOS-RPCJCACASA-N 2 1 372.557 4.228 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000479536169 1112060997 /nfs/dbraw/zinc/06/09/97/1112060997.db2.gz CHSSHRZOPZIDOS-RPCJCACASA-N 2 1 372.557 4.228 20 0 FIADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000479543085 1112063826 /nfs/dbraw/zinc/06/38/26/1112063826.db2.gz NMLIWQDLWSNCRH-ODIFPOPNSA-N 2 1 356.432 4.295 20 0 FIADMP CCCc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000479562279 1112073324 /nfs/dbraw/zinc/07/33/24/1112073324.db2.gz XOWUKXBNLKJNHZ-IBGZPJMESA-N 2 1 352.522 4.150 20 0 FIADMP CCCc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000479562279 1112073329 /nfs/dbraw/zinc/07/33/29/1112073329.db2.gz XOWUKXBNLKJNHZ-IBGZPJMESA-N 2 1 352.522 4.150 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(F)cn1 ZINC000554047828 1112174505 /nfs/dbraw/zinc/17/45/05/1112174505.db2.gz IZFNOGIXEHPUTA-INIZCTEOSA-N 2 1 357.473 4.066 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000479879632 1112175705 /nfs/dbraw/zinc/17/57/05/1112175705.db2.gz AIDLYJLFAMJHIT-IBGZPJMESA-N 2 1 364.533 4.248 20 0 FIADMP CCCc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479884998 1112185201 /nfs/dbraw/zinc/18/52/01/1112185201.db2.gz IWVOVHSHRSKRKL-IBGZPJMESA-N 2 1 352.522 4.322 20 0 FIADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479889568 1112187048 /nfs/dbraw/zinc/18/70/48/1112187048.db2.gz VRHCHULXRYRVIA-SBUREZEXSA-N 2 1 368.496 4.071 20 0 FIADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000480143773 1112300707 /nfs/dbraw/zinc/30/07/07/1112300707.db2.gz GUAMJHMSURZKQH-GOSISDBHSA-N 2 1 356.510 4.185 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554349380 1112311190 /nfs/dbraw/zinc/31/11/90/1112311190.db2.gz KTWBMRTYDJJZOM-AYOQOUSVSA-N 2 1 370.459 4.118 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000480174144 1112316209 /nfs/dbraw/zinc/31/62/09/1112316209.db2.gz YJFWWAVXVISJOG-SFHVURJKSA-N 2 1 354.542 4.323 20 0 FIADMP COc1cc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369450 1112320208 /nfs/dbraw/zinc/32/02/08/1112320208.db2.gz GYHBPDIQENWHAC-AOIWGVFYSA-N 2 1 371.500 4.181 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480242226 1112346514 /nfs/dbraw/zinc/34/65/14/1112346514.db2.gz AHIULBHQCDBKCI-QGZVFWFLSA-N 2 1 372.557 4.276 20 0 FIADMP COc1cc(F)c([C@H](C)NCCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000480253443 1112351587 /nfs/dbraw/zinc/35/15/87/1112351587.db2.gz GVLZVYFTOOBDOM-HNNXBMFYSA-N 2 1 352.494 4.148 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccsc3Cl)CC2)oc1C ZINC000480358886 1112399253 /nfs/dbraw/zinc/39/92/53/1112399253.db2.gz RMMSFTPLJQDATB-UHFFFAOYSA-N 2 1 353.919 4.008 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000667671070 1112423921 /nfs/dbraw/zinc/42/39/21/1112423921.db2.gz GSBIPVRXJVCUIN-IBGZPJMESA-N 2 1 355.551 4.426 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000480617505 1112511068 /nfs/dbraw/zinc/51/10/68/1112511068.db2.gz RJILBOWXMQLJBG-RBUKOAKNSA-N 2 1 374.573 4.379 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480636651 1112523593 /nfs/dbraw/zinc/52/35/93/1112523593.db2.gz CVSUNBKZMJXRTP-QZTJIDSGSA-N 2 1 366.505 4.498 20 0 FIADMP C[C@H]([NH2+]CCCNc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480690155 1112547497 /nfs/dbraw/zinc/54/74/97/1112547497.db2.gz ACEXOFQEMKBSFW-ICSRJNTNSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@@H]([NH2+]CCCNc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480694840 1112557788 /nfs/dbraw/zinc/55/77/88/1112557788.db2.gz QBWQHQVNMIPGHE-QUCCMNQESA-N 2 1 355.501 4.128 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc(C)sc3C)cc2)CC1 ZINC000480735475 1112570126 /nfs/dbraw/zinc/57/01/26/1112570126.db2.gz GEDABCMMYOQMJS-GOSISDBHSA-N 2 1 371.594 4.353 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccccc1 ZINC000480736898 1112570166 /nfs/dbraw/zinc/57/01/66/1112570166.db2.gz HWRHJOQGTBCJNX-QHCPKHFHSA-N 2 1 351.538 4.065 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000480768029 1112586667 /nfs/dbraw/zinc/58/66/67/1112586667.db2.gz JFNNQAIWONZOIE-SFHVURJKSA-N 2 1 350.506 4.075 20 0 FIADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000480771056 1112590604 /nfs/dbraw/zinc/59/06/04/1112590604.db2.gz ABKYUNRNPGJJHZ-GOSISDBHSA-N 2 1 373.566 4.054 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000480779067 1112593145 /nfs/dbraw/zinc/59/31/45/1112593145.db2.gz JVEGGIYQGVOFKY-NRFANRHFSA-N 2 1 365.993 4.435 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc2ccccc21 ZINC000480892268 1112646677 /nfs/dbraw/zinc/64/66/77/1112646677.db2.gz YLPHUQISKUXIQZ-FQEVSTJZSA-N 2 1 373.544 4.438 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308038 1112881754 /nfs/dbraw/zinc/88/17/54/1112881754.db2.gz AFOPMMRLTRKIRB-GCJKJVERSA-N 2 1 356.485 4.050 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539096 1112973181 /nfs/dbraw/zinc/97/31/81/1112973181.db2.gz XXZHKYKKUYAFAR-KSFYIVLOSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539096 1112973182 /nfs/dbraw/zinc/97/31/82/1112973182.db2.gz XXZHKYKKUYAFAR-KSFYIVLOSA-N 2 1 374.475 4.426 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1C ZINC000481549260 1112974778 /nfs/dbraw/zinc/97/47/78/1112974778.db2.gz WRVPYQSHAQPDMW-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1C ZINC000481549260 1112974781 /nfs/dbraw/zinc/97/47/81/1112974781.db2.gz WRVPYQSHAQPDMW-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)CCO1 ZINC000481554458 1112976449 /nfs/dbraw/zinc/97/64/49/1112976449.db2.gz YGKJLXJNLMKTER-JXFKEZNVSA-N 2 1 356.535 4.136 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)CCO1 ZINC000481554458 1112976451 /nfs/dbraw/zinc/97/64/51/1112976451.db2.gz YGKJLXJNLMKTER-JXFKEZNVSA-N 2 1 356.535 4.136 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554044 1112976517 /nfs/dbraw/zinc/97/65/17/1112976517.db2.gz WVOUNFVULUGPNK-JPYJTQIMSA-N 2 1 364.533 4.420 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554044 1112976519 /nfs/dbraw/zinc/97/65/19/1112976519.db2.gz WVOUNFVULUGPNK-JPYJTQIMSA-N 2 1 364.533 4.420 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579315 1112988195 /nfs/dbraw/zinc/98/81/95/1112988195.db2.gz IETHBCCDBFMRPL-XXBNENTESA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C)cc1 ZINC000481579315 1112988197 /nfs/dbraw/zinc/98/81/97/1112988197.db2.gz IETHBCCDBFMRPL-XXBNENTESA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(OC)c1 ZINC000481584973 1112989457 /nfs/dbraw/zinc/98/94/57/1112989457.db2.gz UTUZKVOXVVYZHL-MBSDFSHPSA-N 2 1 368.521 4.157 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(OC)c1 ZINC000481584973 1112989458 /nfs/dbraw/zinc/98/94/58/1112989458.db2.gz UTUZKVOXVVYZHL-MBSDFSHPSA-N 2 1 368.521 4.157 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481673317 1113027618 /nfs/dbraw/zinc/02/76/18/1113027618.db2.gz SUOASLZKUILRPK-INIZCTEOSA-N 2 1 372.475 4.115 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C1 ZINC000899877866 1113041260 /nfs/dbraw/zinc/04/12/60/1113041260.db2.gz KGCNLWXUFBEUKJ-CXAGYDPISA-N 2 1 365.399 4.054 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987856 1113145628 /nfs/dbraw/zinc/14/56/28/1113145628.db2.gz CQYZKBCDNODUCT-LPHOPBHVSA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987856 1113145630 /nfs/dbraw/zinc/14/56/30/1113145630.db2.gz CQYZKBCDNODUCT-LPHOPBHVSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987856 1113145633 /nfs/dbraw/zinc/14/56/33/1113145633.db2.gz CQYZKBCDNODUCT-LPHOPBHVSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@@H]1C ZINC000481987856 1113145635 /nfs/dbraw/zinc/14/56/35/1113145635.db2.gz CQYZKBCDNODUCT-LPHOPBHVSA-N 2 1 370.493 4.038 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000482115473 1113173314 /nfs/dbraw/zinc/17/33/14/1113173314.db2.gz RMUGFERKXYUJDS-KRWDZBQOSA-N 2 1 352.507 4.291 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC000482128820 1113184000 /nfs/dbraw/zinc/18/40/00/1113184000.db2.gz AXBFMZUAILPIKJ-ZWKOTPCHSA-N 2 1 365.587 4.102 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC000482128819 1113184219 /nfs/dbraw/zinc/18/42/19/1113184219.db2.gz AXBFMZUAILPIKJ-ROUUACIJSA-N 2 1 365.587 4.102 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000482343614 1113229782 /nfs/dbraw/zinc/22/97/82/1113229782.db2.gz LIAWHCXJUMKDQX-KDOFPFPSSA-N 2 1 351.332 4.146 20 0 FIADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482433516 1113253226 /nfs/dbraw/zinc/25/32/26/1113253226.db2.gz CQVITDHMPOKKQA-FPOVZHCZSA-N 2 1 352.522 4.301 20 0 FIADMP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482433516 1113253229 /nfs/dbraw/zinc/25/32/29/1113253229.db2.gz CQVITDHMPOKKQA-FPOVZHCZSA-N 2 1 352.522 4.301 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442952 1113258206 /nfs/dbraw/zinc/25/82/06/1113258206.db2.gz ZYHSOWFROUIPPV-RDPSFJRHSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000482541176 1113288499 /nfs/dbraw/zinc/28/84/99/1113288499.db2.gz DZXPGHMBLOFKOT-HKUYNNGSSA-N 2 1 371.594 4.483 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](Cc3ccc(C)cc3)C3CC3)CCCC2)CC1 ZINC000482639287 1113317840 /nfs/dbraw/zinc/31/78/40/1113317840.db2.gz CWMYQHKMTDWQBQ-QHCPKHFHSA-N 2 1 370.581 4.329 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2cc(OC)ccc2c1 ZINC000482867867 1113381628 /nfs/dbraw/zinc/38/16/28/1113381628.db2.gz PBFAQYQXUBVXSR-FYYLOGMGSA-N 2 1 370.537 4.126 20 0 FIADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000482873128 1113385507 /nfs/dbraw/zinc/38/55/07/1113385507.db2.gz KELPWFXHHMLAIO-SFTDATJTSA-N 2 1 372.578 4.167 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000483159843 1113451342 /nfs/dbraw/zinc/45/13/42/1113451342.db2.gz SNJJFVFKFIFQJB-HTAPYJJXSA-N 2 1 350.506 4.498 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483173088 1113457197 /nfs/dbraw/zinc/45/71/97/1113457197.db2.gz GJDVFRACSCNTNN-NXHRZFHOSA-N 2 1 358.448 4.103 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483173088 1113457198 /nfs/dbraw/zinc/45/71/98/1113457198.db2.gz GJDVFRACSCNTNN-NXHRZFHOSA-N 2 1 358.448 4.103 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000483276402 1113478370 /nfs/dbraw/zinc/47/83/70/1113478370.db2.gz NAAJYYYSENOOFV-RXVVDRJESA-N 2 1 357.542 4.264 20 0 FIADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000483276402 1113478373 /nfs/dbraw/zinc/47/83/73/1113478373.db2.gz NAAJYYYSENOOFV-RXVVDRJESA-N 2 1 357.542 4.264 20 0 FIADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000483276402 1113478374 /nfs/dbraw/zinc/47/83/74/1113478374.db2.gz NAAJYYYSENOOFV-RXVVDRJESA-N 2 1 357.542 4.264 20 0 FIADMP C[C@@H]1[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000569244747 1113485831 /nfs/dbraw/zinc/48/58/31/1113485831.db2.gz MKTKQFCSTCLZGO-OYYPCOLYSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000569244747 1113485832 /nfs/dbraw/zinc/48/58/32/1113485832.db2.gz MKTKQFCSTCLZGO-OYYPCOLYSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000569244747 1113485834 /nfs/dbraw/zinc/48/58/34/1113485834.db2.gz MKTKQFCSTCLZGO-OYYPCOLYSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@H]1CSCC[NH+](Cc2cccc(C[N@@H+]3CCSC[C@H](C)C3)c2)C1 ZINC000488198905 1113876472 /nfs/dbraw/zinc/87/64/72/1113876472.db2.gz KPOSVDUOONUWSL-QZTJIDSGSA-N 2 1 364.624 4.056 20 0 FIADMP CCOc1cc2[nH+]ccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2cc1OCC ZINC000488307173 1113908810 /nfs/dbraw/zinc/90/88/10/1113908810.db2.gz QXORCRARQHSHQA-UHFFFAOYSA-N 2 1 366.465 4.139 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000489568678 1114138008 /nfs/dbraw/zinc/13/80/08/1114138008.db2.gz SOFKFIGCSWFLMR-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000490120708 1114220778 /nfs/dbraw/zinc/22/07/78/1114220778.db2.gz WHTOZNPJXKEUIK-FVJLSDCUSA-N 2 1 371.500 4.071 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490961374 1114355983 /nfs/dbraw/zinc/35/59/83/1114355983.db2.gz BRHDVZLQKYXIAV-RDPSFJRHSA-N 2 1 369.597 4.192 20 0 FIADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000491036704 1114365005 /nfs/dbraw/zinc/36/50/05/1114365005.db2.gz ZBSRADPOMQKFBY-UHFFFAOYSA-N 2 1 374.573 4.305 20 0 FIADMP CCCC[NH+](C)CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000491036704 1114365009 /nfs/dbraw/zinc/36/50/09/1114365009.db2.gz ZBSRADPOMQKFBY-UHFFFAOYSA-N 2 1 374.573 4.305 20 0 FIADMP CCCC[NH+](C)CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000491036704 1114365014 /nfs/dbraw/zinc/36/50/14/1114365014.db2.gz ZBSRADPOMQKFBY-UHFFFAOYSA-N 2 1 374.573 4.305 20 0 FIADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000570889669 1114381512 /nfs/dbraw/zinc/38/15/12/1114381512.db2.gz UUKJZTNXTWTQEX-OAQYLSRUSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000570889669 1114381516 /nfs/dbraw/zinc/38/15/16/1114381516.db2.gz UUKJZTNXTWTQEX-OAQYLSRUSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000570889668 1114381778 /nfs/dbraw/zinc/38/17/78/1114381778.db2.gz UUKJZTNXTWTQEX-NRFANRHFSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000570889668 1114381780 /nfs/dbraw/zinc/38/17/80/1114381780.db2.gz UUKJZTNXTWTQEX-NRFANRHFSA-N 2 1 362.521 4.035 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001212145594 1114433691 /nfs/dbraw/zinc/43/36/91/1114433691.db2.gz XXUUZNFKTFLWFR-AWEZNQCLSA-N 2 1 374.382 4.063 20 0 FIADMP CCCn1nc(C)c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000571567019 1114482144 /nfs/dbraw/zinc/48/21/44/1114482144.db2.gz CMXVMRCOYOOHBA-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000571567019 1114482147 /nfs/dbraw/zinc/48/21/47/1114482147.db2.gz CMXVMRCOYOOHBA-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000571567019 1114482150 /nfs/dbraw/zinc/48/21/50/1114482150.db2.gz CMXVMRCOYOOHBA-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000571567019 1114482152 /nfs/dbraw/zinc/48/21/52/1114482152.db2.gz CMXVMRCOYOOHBA-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000571567019 1114482155 /nfs/dbraw/zinc/48/21/55/1114482155.db2.gz CMXVMRCOYOOHBA-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000572053379 1114596097 /nfs/dbraw/zinc/59/60/97/1114596097.db2.gz PGQVNHOUHZNDTF-UGKGYDQZSA-N 2 1 364.533 4.370 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000572053379 1114596099 /nfs/dbraw/zinc/59/60/99/1114596099.db2.gz PGQVNHOUHZNDTF-UGKGYDQZSA-N 2 1 364.533 4.370 20 0 FIADMP CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999838 1114873182 /nfs/dbraw/zinc/87/31/82/1114873182.db2.gz YUZIBMADOAOGSQ-UHFFFAOYSA-N 2 1 367.537 4.012 20 0 FIADMP CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999838 1114873185 /nfs/dbraw/zinc/87/31/85/1114873185.db2.gz YUZIBMADOAOGSQ-UHFFFAOYSA-N 2 1 367.537 4.012 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786736 1114974174 /nfs/dbraw/zinc/97/41/74/1114974174.db2.gz KSVSMNXEOJRWAB-IBGZPJMESA-N 2 1 373.585 4.498 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841881 1115108052 /nfs/dbraw/zinc/10/80/52/1115108052.db2.gz BJGSFYBEOLHHCO-APWZRJJASA-N 2 1 361.530 4.338 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841881 1115108056 /nfs/dbraw/zinc/10/80/56/1115108056.db2.gz BJGSFYBEOLHHCO-APWZRJJASA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841881 1115108059 /nfs/dbraw/zinc/10/80/59/1115108059.db2.gz BJGSFYBEOLHHCO-APWZRJJASA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@H]1C ZINC000760841881 1115108061 /nfs/dbraw/zinc/10/80/61/1115108061.db2.gz BJGSFYBEOLHHCO-APWZRJJASA-N 2 1 361.530 4.338 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609579 1115146799 /nfs/dbraw/zinc/14/67/99/1115146799.db2.gz BRYBNLGBFNXSNI-HIFRSBDPSA-N 2 1 374.941 4.275 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609579 1115146804 /nfs/dbraw/zinc/14/68/04/1115146804.db2.gz BRYBNLGBFNXSNI-HIFRSBDPSA-N 2 1 374.941 4.275 20 0 FIADMP Fc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168401470 1115174944 /nfs/dbraw/zinc/17/49/44/1115174944.db2.gz WXAHNBUWDKXYGI-WMZHIEFXSA-N 2 1 352.497 4.185 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000479875396 1115250116 /nfs/dbraw/zinc/25/01/16/1115250116.db2.gz QHTBCKWFIUQCRM-BXWFABGCSA-N 2 1 372.475 4.493 20 0 FIADMP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000574395582 1115359420 /nfs/dbraw/zinc/35/94/20/1115359420.db2.gz CGXZRMMUEPSFGC-DYESRHJHSA-N 2 1 351.494 4.008 20 0 FIADMP c1cn(-c2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)cn1 ZINC000574633461 1115430555 /nfs/dbraw/zinc/43/05/55/1115430555.db2.gz UJYRLWGBMOBXHY-ULPXVVAUSA-N 2 1 372.516 4.158 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594494897 1115449849 /nfs/dbraw/zinc/44/98/49/1115449849.db2.gz KIULFKFVFQTXPO-QFIPXVFZSA-N 2 1 366.505 4.092 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594494896 1115450349 /nfs/dbraw/zinc/45/03/49/1115450349.db2.gz KIULFKFVFQTXPO-JOCHJYFZSA-N 2 1 366.505 4.092 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000595016052 1115504136 /nfs/dbraw/zinc/50/41/36/1115504136.db2.gz GPDIXFTZMWZYRW-XSLAUPDRSA-N 2 1 372.553 4.140 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000595025272 1115505107 /nfs/dbraw/zinc/50/51/07/1115505107.db2.gz KSDDXENBEWOVEU-FCEWJHQRSA-N 2 1 366.571 4.089 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000595025272 1115505110 /nfs/dbraw/zinc/50/51/10/1115505110.db2.gz KSDDXENBEWOVEU-FCEWJHQRSA-N 2 1 366.571 4.089 20 0 FIADMP CN(C)c1cc(Cl)cc(Cl)c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000574964467 1115525649 /nfs/dbraw/zinc/52/56/49/1115525649.db2.gz JUVUUKHPDFYYEW-GOOCMWNKSA-N 2 1 356.341 4.164 20 0 FIADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000574964467 1115525653 /nfs/dbraw/zinc/52/56/53/1115525653.db2.gz JUVUUKHPDFYYEW-GOOCMWNKSA-N 2 1 356.341 4.164 20 0 FIADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000574964467 1115525657 /nfs/dbraw/zinc/52/56/57/1115525657.db2.gz JUVUUKHPDFYYEW-GOOCMWNKSA-N 2 1 356.341 4.164 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)c1 ZINC000598962773 1115771697 /nfs/dbraw/zinc/77/16/97/1115771697.db2.gz KPJUKMMNVBKWKU-UHFFFAOYSA-N 2 1 374.550 4.445 20 0 FIADMP COc1cccc(C[NH2+][C@H](Cn2ccnc2)c2ccc(C)cc2C)c1F ZINC000669683764 1115785750 /nfs/dbraw/zinc/78/57/50/1115785750.db2.gz VOTSMKQELYOSKA-LJQANCHMSA-N 2 1 353.441 4.179 20 0 FIADMP COc1cccc(C[NH2+][C@@H](Cn2ccnc2)c2ccc(C)cc2C)c1F ZINC000669683763 1115785798 /nfs/dbraw/zinc/78/57/98/1115785798.db2.gz VOTSMKQELYOSKA-IBGZPJMESA-N 2 1 353.441 4.179 20 0 FIADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000669703968 1115831415 /nfs/dbraw/zinc/83/14/15/1115831415.db2.gz ZUTIUHNIKAXKHO-BVAFDOMYSA-N 2 1 356.554 4.082 20 0 FIADMP CC(C)OCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533957199 1115974602 /nfs/dbraw/zinc/97/46/02/1115974602.db2.gz ZYFNEVYXGOTCGE-UHFFFAOYSA-N 2 1 372.475 4.417 20 0 FIADMP CC(C)OCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533957199 1115974605 /nfs/dbraw/zinc/97/46/05/1115974605.db2.gz ZYFNEVYXGOTCGE-UHFFFAOYSA-N 2 1 372.475 4.417 20 0 FIADMP Brc1ccc(/C=C\CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903168 1115981523 /nfs/dbraw/zinc/98/15/23/1115981523.db2.gz KXPMIGVTJNPVSV-OLNMTYFRSA-N 2 1 363.343 4.270 20 0 FIADMP Brc1ccc(/C=C\CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903170 1115981631 /nfs/dbraw/zinc/98/16/31/1115981631.db2.gz KXPMIGVTJNPVSV-ZRBMMALYSA-N 2 1 363.343 4.270 20 0 FIADMP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000534793735 1116237212 /nfs/dbraw/zinc/23/72/12/1116237212.db2.gz OGCSDONZJDVUJY-KRWDZBQOSA-N 2 1 369.734 4.306 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534955622 1116255786 /nfs/dbraw/zinc/25/57/86/1116255786.db2.gz XKCVFPBGUHFKLU-HNNXBMFYSA-N 2 1 354.281 4.042 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534955622 1116255787 /nfs/dbraw/zinc/25/57/87/1116255787.db2.gz XKCVFPBGUHFKLU-HNNXBMFYSA-N 2 1 354.281 4.042 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534955439 1116255912 /nfs/dbraw/zinc/25/59/12/1116255912.db2.gz BDCGVLISQKFGHJ-IBGZPJMESA-N 2 1 369.900 4.462 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534955439 1116255913 /nfs/dbraw/zinc/25/59/13/1116255913.db2.gz BDCGVLISQKFGHJ-IBGZPJMESA-N 2 1 369.900 4.462 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000535232344 1116283550 /nfs/dbraw/zinc/28/35/50/1116283550.db2.gz DEMIWMLGIXJRQR-SFHVURJKSA-N 2 1 370.562 4.482 20 0 FIADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000535405767 1116303230 /nfs/dbraw/zinc/30/32/30/1116303230.db2.gz JCUJGFHWQSKASM-QGZVFWFLSA-N 2 1 370.459 4.028 20 0 FIADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000535405767 1116303232 /nfs/dbraw/zinc/30/32/32/1116303232.db2.gz JCUJGFHWQSKASM-QGZVFWFLSA-N 2 1 370.459 4.028 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000311258133 1116310286 /nfs/dbraw/zinc/31/02/86/1116310286.db2.gz MMPRNPYEFMUDGF-YRXWBPOGSA-N 2 1 367.578 4.017 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000311258133 1116310288 /nfs/dbraw/zinc/31/02/88/1116310288.db2.gz MMPRNPYEFMUDGF-YRXWBPOGSA-N 2 1 367.578 4.017 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000539813241 1116384204 /nfs/dbraw/zinc/38/42/04/1116384204.db2.gz ICHSQFNWNWQARK-HNNXBMFYSA-N 2 1 355.432 4.485 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000539821344 1116385810 /nfs/dbraw/zinc/38/58/10/1116385810.db2.gz UKZVOTMMSLJZBD-DAYGRLMNSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000539821344 1116385811 /nfs/dbraw/zinc/38/58/11/1116385811.db2.gz UKZVOTMMSLJZBD-DAYGRLMNSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000539821344 1116385813 /nfs/dbraw/zinc/38/58/13/1116385813.db2.gz UKZVOTMMSLJZBD-DAYGRLMNSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000539862350 1116392320 /nfs/dbraw/zinc/39/23/20/1116392320.db2.gz GZJXKDGDSKEPHW-UHFFFAOYSA-N 2 1 359.341 4.316 20 0 FIADMP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862318 1116392421 /nfs/dbraw/zinc/39/24/21/1116392421.db2.gz MJHZJFPPCYDDKU-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539862318 1116392423 /nfs/dbraw/zinc/39/24/23/1116392423.db2.gz MJHZJFPPCYDDKU-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539862318 1116392425 /nfs/dbraw/zinc/39/24/25/1116392425.db2.gz MJHZJFPPCYDDKU-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539862318 1116392427 /nfs/dbraw/zinc/39/24/27/1116392427.db2.gz MJHZJFPPCYDDKU-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP Cc1cc(C)cc(-c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2)c1 ZINC000462746523 1117749468 /nfs/dbraw/zinc/74/94/68/1117749468.db2.gz URTCMVVQEBYLHK-XMMPIXPASA-N 2 1 366.549 4.297 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462845977 1117816803 /nfs/dbraw/zinc/81/68/03/1117816803.db2.gz SEVLFLZJSUQRQR-OUJCMCIWSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462845977 1117816811 /nfs/dbraw/zinc/81/68/11/1117816811.db2.gz SEVLFLZJSUQRQR-OUJCMCIWSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000462848255 1117819084 /nfs/dbraw/zinc/81/90/84/1117819084.db2.gz OMYZPCTXEUQOQE-OTWHNJEPSA-N 2 1 362.558 4.404 20 0 FIADMP COc1cccc(OCCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000540183752 1117926119 /nfs/dbraw/zinc/92/61/19/1117926119.db2.gz VGDLWNYDVAKSRF-QGZVFWFLSA-N 2 1 365.477 4.309 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463044512 1117938739 /nfs/dbraw/zinc/93/87/39/1117938739.db2.gz SAIOUJCFSOVAJQ-SJORKVTESA-N 2 1 352.404 4.129 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCn2cnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463080683 1117953370 /nfs/dbraw/zinc/95/33/70/1117953370.db2.gz DDDBCZKZTASXQS-PZJWPPBQSA-N 2 1 362.521 4.069 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000463080683 1117953374 /nfs/dbraw/zinc/95/33/74/1117953374.db2.gz DDDBCZKZTASXQS-PZJWPPBQSA-N 2 1 362.521 4.069 20 0 FIADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076339 1117958856 /nfs/dbraw/zinc/95/88/56/1117958856.db2.gz XHJIVYCBFUPMII-FPOVZHCZSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076339 1117958859 /nfs/dbraw/zinc/95/88/59/1117958859.db2.gz XHJIVYCBFUPMII-FPOVZHCZSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076338 1117959020 /nfs/dbraw/zinc/95/90/20/1117959020.db2.gz XHJIVYCBFUPMII-CTNGQTDRSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076338 1117959023 /nfs/dbraw/zinc/95/90/23/1117959023.db2.gz XHJIVYCBFUPMII-CTNGQTDRSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076917 1117959360 /nfs/dbraw/zinc/95/93/60/1117959360.db2.gz HTIINUOXUYFVOT-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076917 1117959362 /nfs/dbraw/zinc/95/93/62/1117959362.db2.gz HTIINUOXUYFVOT-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076915 1117960009 /nfs/dbraw/zinc/96/00/09/1117960009.db2.gz HTIINUOXUYFVOT-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076915 1117960012 /nfs/dbraw/zinc/96/00/12/1117960012.db2.gz HTIINUOXUYFVOT-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP CN(CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000463078768 1117960387 /nfs/dbraw/zinc/96/03/87/1117960387.db2.gz SYYQBMKKQBQPKL-UHFFFAOYSA-N 2 1 365.565 4.200 20 0 FIADMP CC(C)[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000463130705 1117977216 /nfs/dbraw/zinc/97/72/16/1117977216.db2.gz HNWPLWNJNNUGRI-NRFANRHFSA-N 2 1 363.977 4.014 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463144900 1117982279 /nfs/dbraw/zinc/98/22/79/1117982279.db2.gz CCVDBGALLCVCRP-GHTZIAJQSA-N 2 1 353.510 4.013 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463144900 1117982283 /nfs/dbraw/zinc/98/22/83/1117982283.db2.gz CCVDBGALLCVCRP-GHTZIAJQSA-N 2 1 353.510 4.013 20 0 FIADMP CC(C)[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000463132154 1117983500 /nfs/dbraw/zinc/98/35/00/1117983500.db2.gz NKJOOIZFMZZHSV-OAQYLSRUSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463132611 1117983762 /nfs/dbraw/zinc/98/37/62/1117983762.db2.gz SLZFKAAHHDAHAM-FYYLOGMGSA-N 3 1 357.586 4.285 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463132611 1117983765 /nfs/dbraw/zinc/98/37/65/1117983765.db2.gz SLZFKAAHHDAHAM-FYYLOGMGSA-N 3 1 357.586 4.285 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140394 1117987140 /nfs/dbraw/zinc/98/71/40/1117987140.db2.gz GYDWOYMLYLLRTL-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140394 1117987144 /nfs/dbraw/zinc/98/71/44/1117987144.db2.gz GYDWOYMLYLLRTL-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000463149462 1117991828 /nfs/dbraw/zinc/99/18/28/1117991828.db2.gz LCBLTPYCJBWMKL-UHFFFAOYSA-N 2 1 354.542 4.075 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000463149462 1117991832 /nfs/dbraw/zinc/99/18/32/1117991832.db2.gz LCBLTPYCJBWMKL-UHFFFAOYSA-N 2 1 354.542 4.075 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463148981 1117992078 /nfs/dbraw/zinc/99/20/78/1117992078.db2.gz UAHASDZGZFBISH-PUHATCMVSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463148981 1117992079 /nfs/dbraw/zinc/99/20/79/1117992079.db2.gz UAHASDZGZFBISH-PUHATCMVSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463149632 1117992601 /nfs/dbraw/zinc/99/26/01/1117992601.db2.gz VVZGUTRVQWQNGZ-FXAWDEMLSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463149632 1117992603 /nfs/dbraw/zinc/99/26/03/1117992603.db2.gz VVZGUTRVQWQNGZ-FXAWDEMLSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@@H](OCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000463150315 1117992649 /nfs/dbraw/zinc/99/26/49/1117992649.db2.gz XFWZKNVSLGCNIM-OAQYLSRUSA-N 2 1 366.549 4.451 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000463150704 1117993166 /nfs/dbraw/zinc/99/31/66/1117993166.db2.gz XMIREHFMXWXMTB-ZWKOTPCHSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000463150704 1117993169 /nfs/dbraw/zinc/99/31/69/1117993169.db2.gz XMIREHFMXWXMTB-ZWKOTPCHSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Oc1ccc(F)cc1 ZINC000463188864 1118007182 /nfs/dbraw/zinc/00/71/82/1118007182.db2.gz FDDCPMTZGXNEIW-QGZVFWFLSA-N 2 1 374.475 4.029 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Oc1ccccc1F ZINC000463190197 1118007582 /nfs/dbraw/zinc/00/75/82/1118007582.db2.gz JEUNAOJSCVUEKH-QGZVFWFLSA-N 2 1 374.475 4.029 20 0 FIADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCCC2 ZINC000463191167 1118008422 /nfs/dbraw/zinc/00/84/22/1118008422.db2.gz MEZSSKNILIWJPZ-VXKWHMMOSA-N 2 1 356.554 4.021 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463192820 1118009765 /nfs/dbraw/zinc/00/97/65/1118009765.db2.gz QGTBRWSWIHBZDH-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463192820 1118009771 /nfs/dbraw/zinc/00/97/71/1118009771.db2.gz QGTBRWSWIHBZDH-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP CCO[C@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000463194964 1118010251 /nfs/dbraw/zinc/01/02/51/1118010251.db2.gz XMKQFHDAXPXGRL-HSZRJFAPSA-N 2 1 358.570 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463189284 1118017666 /nfs/dbraw/zinc/01/76/66/1118017666.db2.gz GURNHMPGKMHQNR-KNQAVFIVSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463189284 1118017671 /nfs/dbraw/zinc/01/76/71/1118017671.db2.gz GURNHMPGKMHQNR-KNQAVFIVSA-N 2 1 356.554 4.369 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463205741 1118020052 /nfs/dbraw/zinc/02/00/52/1118020052.db2.gz NKAXCFLAUQPTJK-KNQAVFIVSA-N 2 1 352.522 4.189 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463205741 1118020058 /nfs/dbraw/zinc/02/00/58/1118020058.db2.gz NKAXCFLAUQPTJK-KNQAVFIVSA-N 2 1 352.522 4.189 20 0 FIADMP COC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC(C)CC1 ZINC000463252037 1118061992 /nfs/dbraw/zinc/06/19/92/1118061992.db2.gz XGJMOSZCSPZYSJ-UHFFFAOYSA-N 2 1 362.533 4.018 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCNc3ccccc3F)CC2)cc1 ZINC000463291500 1118085857 /nfs/dbraw/zinc/08/58/57/1118085857.db2.gz WYUSDHIFBKIRCO-UHFFFAOYSA-N 2 1 373.491 4.064 20 0 FIADMP COc1ccc([C@@H](C)C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000540497656 1118094051 /nfs/dbraw/zinc/09/40/51/1118094051.db2.gz YUJZEWZDKMCLQG-IBGZPJMESA-N 2 1 352.522 4.395 20 0 FIADMP COc1ccc([C@@H](C)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000540497656 1118094056 /nfs/dbraw/zinc/09/40/56/1118094056.db2.gz YUJZEWZDKMCLQG-IBGZPJMESA-N 2 1 352.522 4.395 20 0 FIADMP COc1ccc([C@@H](C)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000540497656 1118094064 /nfs/dbraw/zinc/09/40/64/1118094064.db2.gz YUJZEWZDKMCLQG-IBGZPJMESA-N 2 1 352.522 4.395 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)[C@H](C)C1 ZINC000540551849 1118123355 /nfs/dbraw/zinc/12/33/55/1118123355.db2.gz VORAGIPJXIHYBE-DENIHFKCSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@H](C)C1 ZINC000540551849 1118123359 /nfs/dbraw/zinc/12/33/59/1118123359.db2.gz VORAGIPJXIHYBE-DENIHFKCSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@H](C)C1 ZINC000540551849 1118123363 /nfs/dbraw/zinc/12/33/63/1118123363.db2.gz VORAGIPJXIHYBE-DENIHFKCSA-N 2 1 374.569 4.044 20 0 FIADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000540708054 1118196114 /nfs/dbraw/zinc/19/61/14/1118196114.db2.gz MSJJAKRYPUVTDX-IFMALSPDSA-N 2 1 356.510 4.205 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1C(C)(C)C ZINC000540989826 1118339940 /nfs/dbraw/zinc/33/99/40/1118339940.db2.gz XEKBIARIFZMRBR-RXVVDRJESA-N 2 1 366.549 4.402 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc2c(s1)CCC2 ZINC000540990770 1118340597 /nfs/dbraw/zinc/34/05/97/1118340597.db2.gz RRLGANRYPHADLG-OXQOHEQNSA-N 2 1 370.562 4.044 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)c1 ZINC000464057806 1118421298 /nfs/dbraw/zinc/42/12/98/1118421298.db2.gz OWDHZVKXXQVECW-UAFMIMERSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)c1 ZINC000464057806 1118421303 /nfs/dbraw/zinc/42/13/03/1118421303.db2.gz OWDHZVKXXQVECW-UAFMIMERSA-N 2 1 362.583 4.145 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(-n3ccnc3)cs2)c1 ZINC000541373160 1118492168 /nfs/dbraw/zinc/49/21/68/1118492168.db2.gz IERNSNAMNYPCHY-UHFFFAOYSA-N 2 1 354.523 4.064 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000541913872 1118698976 /nfs/dbraw/zinc/69/89/76/1118698976.db2.gz ATIINYFGIMHEOC-BJKOFHAPSA-N 2 1 364.533 4.274 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000541913875 1118699060 /nfs/dbraw/zinc/69/90/60/1118699060.db2.gz ATIINYFGIMHEOC-ZEQRLZLVSA-N 2 1 364.533 4.274 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793202 1118700591 /nfs/dbraw/zinc/70/05/91/1118700591.db2.gz YISJWSYGYMEARL-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793202 1118700596 /nfs/dbraw/zinc/70/05/96/1118700596.db2.gz YISJWSYGYMEARL-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793202 1118700598 /nfs/dbraw/zinc/70/05/98/1118700598.db2.gz YISJWSYGYMEARL-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793202 1118700599 /nfs/dbraw/zinc/70/05/99/1118700599.db2.gz YISJWSYGYMEARL-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845144 1118718957 /nfs/dbraw/zinc/71/89/57/1118718957.db2.gz DCSAGGCVRVFABG-QFIPXVFZSA-N 2 1 352.522 4.300 20 0 FIADMP C[NH+](CCCCOc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845144 1118718959 /nfs/dbraw/zinc/71/89/59/1118718959.db2.gz DCSAGGCVRVFABG-QFIPXVFZSA-N 2 1 352.522 4.300 20 0 FIADMP C[NH+](CCCCOc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845144 1118718960 /nfs/dbraw/zinc/71/89/60/1118718960.db2.gz DCSAGGCVRVFABG-QFIPXVFZSA-N 2 1 352.522 4.300 20 0 FIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3C(C)(C)C)CC2)CC1 ZINC000913741942 1118985639 /nfs/dbraw/zinc/98/56/39/1118985639.db2.gz XDEOHRPQKBFLQW-UHFFFAOYSA-N 2 1 371.569 4.119 20 0 FIADMP Cc1ccc(C)c([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000492223661 1119050800 /nfs/dbraw/zinc/05/08/00/1119050800.db2.gz LTZJIRORCGNOPG-VWNXMTODSA-N 2 1 366.549 4.219 20 0 FIADMP Cc1ccc(C)c([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000492223658 1119051024 /nfs/dbraw/zinc/05/10/24/1119051024.db2.gz LTZJIRORCGNOPG-ISKFKSNPSA-N 2 1 366.549 4.219 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000492251450 1119057840 /nfs/dbraw/zinc/05/78/40/1119057840.db2.gz HVSLCUCRPCWUDC-VXKWHMMOSA-N 2 1 372.940 4.256 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000311821913 1119390770 /nfs/dbraw/zinc/39/07/70/1119390770.db2.gz QOIJKFPAGQKHEI-DNVFCKCGSA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890647 1119393459 /nfs/dbraw/zinc/39/34/59/1119393459.db2.gz DEAUDQNNPMULBG-WMZHIEFXSA-N 2 1 350.506 4.184 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620557 1119398427 /nfs/dbraw/zinc/39/84/27/1119398427.db2.gz AWPBJKFFDHCRFF-FPOVZHCZSA-N 2 1 359.517 4.450 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620557 1119398432 /nfs/dbraw/zinc/39/84/32/1119398432.db2.gz AWPBJKFFDHCRFF-FPOVZHCZSA-N 2 1 359.517 4.450 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000312112556 1119403056 /nfs/dbraw/zinc/40/30/56/1119403056.db2.gz NBTSMUCCBCCROV-KJJMTIBFSA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000494025218 1119526945 /nfs/dbraw/zinc/52/69/45/1119526945.db2.gz AFJRJISIOAATNG-HDICACEKSA-N 2 1 364.624 4.341 20 0 FIADMP C[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000494025218 1119526950 /nfs/dbraw/zinc/52/69/50/1119526950.db2.gz AFJRJISIOAATNG-HDICACEKSA-N 2 1 364.624 4.341 20 0 FIADMP C[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000494025218 1119526953 /nfs/dbraw/zinc/52/69/53/1119526953.db2.gz AFJRJISIOAATNG-HDICACEKSA-N 2 1 364.624 4.341 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050724 1119530438 /nfs/dbraw/zinc/53/04/38/1119530438.db2.gz RMUAMOOMDAGPMU-FUHWJXTLSA-N 2 1 372.475 4.351 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050724 1119530440 /nfs/dbraw/zinc/53/04/40/1119530440.db2.gz RMUAMOOMDAGPMU-FUHWJXTLSA-N 2 1 372.475 4.351 20 0 FIADMP Cc1nc2ccc(C[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)cc2s1 ZINC000494069202 1119536675 /nfs/dbraw/zinc/53/66/75/1119536675.db2.gz NFQFBYBRNBNVJV-UHFFFAOYSA-N 2 1 352.507 4.067 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494068534 1119536804 /nfs/dbraw/zinc/53/68/04/1119536804.db2.gz IGPYWMIHLNQSDU-UHFFFAOYSA-N 2 1 359.739 4.313 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000494074551 1119537345 /nfs/dbraw/zinc/53/73/45/1119537345.db2.gz GNYYLKNNQKVUFR-KMDXXIMOSA-N 2 1 364.533 4.052 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000542475639 1119597789 /nfs/dbraw/zinc/59/77/89/1119597789.db2.gz CIVRBELCZMIYEO-OYSPMZIOSA-N 2 1 370.459 4.245 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000542475639 1119597791 /nfs/dbraw/zinc/59/77/91/1119597791.db2.gz CIVRBELCZMIYEO-OYSPMZIOSA-N 2 1 370.459 4.245 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(SCC)c2)[C@H](C)C1 ZINC000185538565 1119670302 /nfs/dbraw/zinc/67/03/02/1119670302.db2.gz MDGJRILQRGYYAX-XLIONFOSSA-N 2 1 350.572 4.025 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000187007082 1119761008 /nfs/dbraw/zinc/76/10/08/1119761008.db2.gz KOICKNINPAACKW-JOCHJYFZSA-N 2 1 365.521 4.208 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000187007082 1119761009 /nfs/dbraw/zinc/76/10/09/1119761009.db2.gz KOICKNINPAACKW-JOCHJYFZSA-N 2 1 365.521 4.208 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@H](C)C1 ZINC000187020569 1119761800 /nfs/dbraw/zinc/76/18/00/1119761800.db2.gz GHFACCINHKTJSK-GCJKJVERSA-N 2 1 374.569 4.041 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@H](C)C1 ZINC000187020569 1119761804 /nfs/dbraw/zinc/76/18/04/1119761804.db2.gz GHFACCINHKTJSK-GCJKJVERSA-N 2 1 374.569 4.041 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CCSCC3)CC2)cs1 ZINC000187193857 1119772353 /nfs/dbraw/zinc/77/23/53/1119772353.db2.gz AIPLXOHSWSGBAI-HNNXBMFYSA-N 2 1 367.628 4.039 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357614 1119854859 /nfs/dbraw/zinc/85/48/59/1119854859.db2.gz JVPCRESZJBOFLP-IRLDBZIGSA-N 2 1 374.532 4.088 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357614 1119854868 /nfs/dbraw/zinc/85/48/68/1119854868.db2.gz JVPCRESZJBOFLP-IRLDBZIGSA-N 2 1 374.532 4.088 20 0 FIADMP Clc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000189453235 1119898220 /nfs/dbraw/zinc/89/82/20/1119898220.db2.gz BEBPRBNURUORCJ-IXDOHACOSA-N 2 1 368.352 4.179 20 0 FIADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000542484502 1119905772 /nfs/dbraw/zinc/90/57/72/1119905772.db2.gz HIPXXFPBPOTRDC-AOMKIAJQSA-N 2 1 362.477 4.167 20 0 FIADMP FC(F)Oc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000190885333 1119952342 /nfs/dbraw/zinc/95/23/42/1119952342.db2.gz VPLNZNJWKFIUKG-UHFFFAOYSA-N 2 1 360.448 4.085 20 0 FIADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192727627 1120078452 /nfs/dbraw/zinc/07/84/52/1120078452.db2.gz JZJUYAZFAHHKKK-PKTZIBPZSA-N 2 1 357.586 4.061 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000542500501 1120227512 /nfs/dbraw/zinc/22/75/12/1120227512.db2.gz ZGFSJQRGLHBWSF-HNAYVOBHSA-N 2 1 362.439 4.147 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495369275 1120752819 /nfs/dbraw/zinc/75/28/19/1120752819.db2.gz PQJGRPMITISMKM-LNLFQRSKSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369275 1120752824 /nfs/dbraw/zinc/75/28/24/1120752824.db2.gz PQJGRPMITISMKM-LNLFQRSKSA-N 2 1 356.485 4.396 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000495415655 1120792262 /nfs/dbraw/zinc/79/22/62/1120792262.db2.gz SCQIBWVTUMQCPE-YSZBQJHXSA-N 2 1 374.544 4.488 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434250 1120808986 /nfs/dbraw/zinc/80/89/86/1120808986.db2.gz REDPQJITYKWERW-MIZPHKNDSA-N 2 1 374.532 4.434 20 0 FIADMP CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153480500 1120829648 /nfs/dbraw/zinc/82/96/48/1120829648.db2.gz PWGSPYRPTTWSJX-MOPGFXCFSA-N 2 1 368.521 4.157 20 0 FIADMP CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153480500 1120829651 /nfs/dbraw/zinc/82/96/51/1120829651.db2.gz PWGSPYRPTTWSJX-MOPGFXCFSA-N 2 1 368.521 4.157 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cc1OCC ZINC000237021542 1120972779 /nfs/dbraw/zinc/97/27/79/1120972779.db2.gz QKDNMOGAKXCFRW-INIZCTEOSA-N 2 1 368.949 4.349 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1OCC ZINC000237021542 1120972781 /nfs/dbraw/zinc/97/27/81/1120972781.db2.gz QKDNMOGAKXCFRW-INIZCTEOSA-N 2 1 368.949 4.349 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000397967152 1121327466 /nfs/dbraw/zinc/32/74/66/1121327466.db2.gz HGNHZZLENYRXLM-XGHQBKJUSA-N 2 1 356.485 4.396 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000397967152 1121327474 /nfs/dbraw/zinc/32/74/74/1121327474.db2.gz HGNHZZLENYRXLM-XGHQBKJUSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998022 1121331866 /nfs/dbraw/zinc/33/18/66/1121331866.db2.gz UKFHSTLNTUHOGH-VQIMIIECSA-N 2 1 360.448 4.288 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998022 1121331874 /nfs/dbraw/zinc/33/18/74/1121331874.db2.gz UKFHSTLNTUHOGH-VQIMIIECSA-N 2 1 360.448 4.288 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(C)C)cc3)cc2)CC1 ZINC000061070178 1121506814 /nfs/dbraw/zinc/50/68/14/1121506814.db2.gz WNANBAVYRKRGBE-UHFFFAOYSA-N 2 1 365.565 4.237 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000123912926 1121645382 /nfs/dbraw/zinc/64/53/82/1121645382.db2.gz LQMVQLKVMOVEMD-INIZCTEOSA-N 2 1 365.521 4.219 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)c1 ZINC000123976777 1121652000 /nfs/dbraw/zinc/65/20/00/1121652000.db2.gz RTGLRJSLWIZHET-IBGZPJMESA-N 2 1 362.521 4.234 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671747846 1121693483 /nfs/dbraw/zinc/69/34/83/1121693483.db2.gz RLJKTVGBLGCDQC-CVEARBPZSA-N 2 1 365.477 4.410 20 0 FIADMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749834 1121710678 /nfs/dbraw/zinc/71/06/78/1121710678.db2.gz WZULTKQIXBBAKA-JKSUJKDBSA-N 2 1 353.466 4.095 20 0 FIADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671749834 1121710687 /nfs/dbraw/zinc/71/06/87/1121710687.db2.gz WZULTKQIXBBAKA-JKSUJKDBSA-N 2 1 353.466 4.095 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000124655456 1121712091 /nfs/dbraw/zinc/71/20/91/1121712091.db2.gz HROINLYQUWYUSO-FGTMMUONSA-N 2 1 356.510 4.302 20 0 FIADMP Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000671754081 1121753554 /nfs/dbraw/zinc/75/35/54/1121753554.db2.gz QLGLYCARKRWYNY-RBZQAINGSA-N 2 1 363.549 4.213 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000125189860 1121754342 /nfs/dbraw/zinc/75/43/42/1121754342.db2.gz AKCZBPAPVJQGFF-DLBZAZTESA-N 2 1 352.478 4.292 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC000125724706 1121817462 /nfs/dbraw/zinc/81/74/62/1121817462.db2.gz JUKPZXDQHUNNHO-GJZGRUSLSA-N 2 1 369.347 4.229 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]CCc3nc4ccccc4s3)CC2)cc1 ZINC000072727538 1121902788 /nfs/dbraw/zinc/90/27/88/1121902788.db2.gz VVNCFTZGMWHCBU-UHFFFAOYSA-N 2 1 351.519 4.093 20 0 FIADMP CC(C[NH+]1CCC(C(F)(F)F)CC1)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802099 1121904592 /nfs/dbraw/zinc/90/45/92/1121904592.db2.gz ANHPOMLTCQQKCI-UHFFFAOYSA-N 2 1 360.386 4.171 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000126709872 1121978309 /nfs/dbraw/zinc/97/83/09/1121978309.db2.gz HFOBAWUCHLIZMF-AVRDEDQJSA-N 2 1 372.553 4.114 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008898 1121997622 /nfs/dbraw/zinc/99/76/22/1121997622.db2.gz USPYFVWZCSGBGR-IERDGZPVSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898222 1122024770 /nfs/dbraw/zinc/02/47/70/1122024770.db2.gz QPNGAUWOCLDJJS-HZPDHXFCSA-N 2 1 358.507 4.040 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898222 1122024772 /nfs/dbraw/zinc/02/47/72/1122024772.db2.gz QPNGAUWOCLDJJS-HZPDHXFCSA-N 2 1 358.507 4.040 20 0 FIADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000091333605 1122141494 /nfs/dbraw/zinc/14/14/94/1122141494.db2.gz FMBIVKPLOCUJJF-LJQANCHMSA-N 2 1 370.368 4.062 20 0 FIADMP COc1ccc([C@H]2C[C@@H]([N@@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626995 1122187952 /nfs/dbraw/zinc/18/79/52/1122187952.db2.gz ZVRJXQBEBCIYRH-BPBCIEFSSA-N 2 1 360.542 4.143 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000128182904 1122202010 /nfs/dbraw/zinc/20/20/10/1122202010.db2.gz KTZMTRLVMRHOAQ-MSOLQXFVSA-N 2 1 353.510 4.149 20 0 FIADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128219136 1122206626 /nfs/dbraw/zinc/20/66/26/1122206626.db2.gz BYVXSPQVESZHNB-OAHLLOKOSA-N 2 1 359.901 4.372 20 0 FIADMP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000497480534 1122249734 /nfs/dbraw/zinc/24/97/34/1122249734.db2.gz SQYAGJRCLCLLGI-UHFFFAOYSA-N 2 1 359.739 4.266 20 0 FIADMP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000129308265 1122567591 /nfs/dbraw/zinc/56/75/91/1122567591.db2.gz BOYMVNILFJBRNV-UXHICEINSA-N 2 1 350.547 4.096 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000556104969 1122656303 /nfs/dbraw/zinc/65/63/03/1122656303.db2.gz OANNHPYKNHDELQ-DLTYFMDKSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000556104969 1122656305 /nfs/dbraw/zinc/65/63/05/1122656305.db2.gz OANNHPYKNHDELQ-DLTYFMDKSA-N 2 1 363.549 4.075 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000556119072 1122669804 /nfs/dbraw/zinc/66/98/04/1122669804.db2.gz OEPXDYHGEJNADG-GGAORHGYSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000556119072 1122669806 /nfs/dbraw/zinc/66/98/06/1122669806.db2.gz OEPXDYHGEJNADG-GGAORHGYSA-N 2 1 360.505 4.012 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000556119847 1122669969 /nfs/dbraw/zinc/66/99/69/1122669969.db2.gz DXCHKHLGHAFOPH-YTFSRNRJSA-N 2 1 366.549 4.214 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[C@@H]1c1ccccc1 ZINC000556119847 1122669975 /nfs/dbraw/zinc/66/99/75/1122669975.db2.gz DXCHKHLGHAFOPH-YTFSRNRJSA-N 2 1 366.549 4.214 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129890 1122676964 /nfs/dbraw/zinc/67/69/64/1122676964.db2.gz IKGNYQOGTMUNPF-BYZLFZLASA-N 2 1 356.485 4.327 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129890 1122676965 /nfs/dbraw/zinc/67/69/65/1122676965.db2.gz IKGNYQOGTMUNPF-BYZLFZLASA-N 2 1 356.485 4.327 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC000069833379 1122690504 /nfs/dbraw/zinc/69/05/04/1122690504.db2.gz KCPGUUBYAZTRNO-GASCZTMLSA-N 2 1 364.942 4.301 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178778 1122718073 /nfs/dbraw/zinc/71/80/73/1122718073.db2.gz ISLFBGVYDQMBFL-KNQAVFIVSA-N 2 1 366.505 4.036 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C3)cc1 ZINC000556232898 1122749497 /nfs/dbraw/zinc/74/94/97/1122749497.db2.gz LOMLTGBMQLYOGX-NUNAXRQHSA-N 3 1 355.570 4.038 20 0 FIADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C3)cc1 ZINC000556232898 1122749501 /nfs/dbraw/zinc/74/95/01/1122749501.db2.gz LOMLTGBMQLYOGX-NUNAXRQHSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000556236303 1122753458 /nfs/dbraw/zinc/75/34/58/1122753458.db2.gz PVNGCSFLJLPQDI-RTBURBONSA-N 2 1 362.521 4.417 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000556236303 1122753464 /nfs/dbraw/zinc/75/34/64/1122753464.db2.gz PVNGCSFLJLPQDI-RTBURBONSA-N 2 1 362.521 4.417 20 0 FIADMP CC1(C)CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230582 1122757141 /nfs/dbraw/zinc/75/71/41/1122757141.db2.gz OUFMFCHCHOHKOT-FCHUYYIVSA-N 2 1 370.581 4.474 20 0 FIADMP C[N@H+](Cc1c(Cl)cc(Cl)cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224865 1123116761 /nfs/dbraw/zinc/11/67/61/1123116761.db2.gz YMGXKFAVPGSGHP-XYPYZODXSA-N 2 1 366.130 4.458 20 0 FIADMP C[N@@H+](Cc1c(Cl)cc(Cl)cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224865 1123116763 /nfs/dbraw/zinc/11/67/63/1123116763.db2.gz YMGXKFAVPGSGHP-XYPYZODXSA-N 2 1 366.130 4.458 20 0 FIADMP Cc1ncsc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556868726 1123149874 /nfs/dbraw/zinc/14/98/74/1123149874.db2.gz BMLHNFLWICWXPQ-VAMGGRTRSA-N 2 1 355.551 4.232 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc2n[nH]cc2c1 ZINC000556923530 1123232907 /nfs/dbraw/zinc/23/29/07/1123232907.db2.gz KWIJFDYDYRLPFL-PZMSFCMUSA-N 2 1 360.505 4.124 20 0 FIADMP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925946 1123237270 /nfs/dbraw/zinc/23/72/70/1123237270.db2.gz OEGLLRBMLAGMHK-WBVHZDCISA-N 2 1 365.359 4.216 20 0 FIADMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925946 1123237272 /nfs/dbraw/zinc/23/72/72/1123237272.db2.gz OEGLLRBMLAGMHK-WBVHZDCISA-N 2 1 365.359 4.216 20 0 FIADMP C[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925946 1123237273 /nfs/dbraw/zinc/23/72/73/1123237273.db2.gz OEGLLRBMLAGMHK-WBVHZDCISA-N 2 1 365.359 4.216 20 0 FIADMP C[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Br)c1 ZINC000556925946 1123237274 /nfs/dbraw/zinc/23/72/74/1123237274.db2.gz OEGLLRBMLAGMHK-WBVHZDCISA-N 2 1 365.359 4.216 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499201979 1123322073 /nfs/dbraw/zinc/32/20/73/1123322073.db2.gz KWEYDIIHLDWHDP-WBDAEOGXSA-N 2 1 364.533 4.413 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499218599 1123332937 /nfs/dbraw/zinc/33/29/37/1123332937.db2.gz YPJYKMJERIHLGH-XNBWIAOKSA-N 2 1 356.554 4.103 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499231279 1123339673 /nfs/dbraw/zinc/33/96/73/1123339673.db2.gz UTCPZCBFWQFIAD-FDTGPBLFSA-N 2 1 364.533 4.411 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000515678200 1123443457 /nfs/dbraw/zinc/44/34/57/1123443457.db2.gz ROSWRZYHGJSYSX-DHIUTWEWSA-N 2 1 352.522 4.409 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000515678200 1123443461 /nfs/dbraw/zinc/44/34/61/1123443461.db2.gz ROSWRZYHGJSYSX-DHIUTWEWSA-N 2 1 352.522 4.409 20 0 FIADMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000133761244 1123529386 /nfs/dbraw/zinc/52/93/86/1123529386.db2.gz NSAXRXZEQADPPW-VLIAUNLRSA-N 2 1 351.498 4.333 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1 ZINC000615316045 1123988574 /nfs/dbraw/zinc/98/85/74/1123988574.db2.gz HXXRXNPFWLUMFE-RTBURBONSA-N 2 1 365.521 4.035 20 0 FIADMP COCc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245657217 1124170255 /nfs/dbraw/zinc/17/02/55/1124170255.db2.gz DUTKYMSQUCPYPY-WBDAEOGXSA-N 2 1 350.506 4.118 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2[C@@H]4c5ccccc5C[C@H]24)C3)cc1 ZINC000245661214 1124177276 /nfs/dbraw/zinc/17/72/76/1124177276.db2.gz FTYJDMQEVJSUHT-KXSDHGPUSA-N 2 1 358.529 4.358 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2[C@@H]4CCO[C@@H]4C24CCCC4)C3)cc1 ZINC000245695111 1124204334 /nfs/dbraw/zinc/20/43/34/1124204334.db2.gz KYRYLTQLEWPNSF-UKIFCOJHSA-N 2 1 366.549 4.119 20 0 FIADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750852 1124239385 /nfs/dbraw/zinc/23/93/85/1124239385.db2.gz UBMYHFBZHNPFMH-BJESRGMDSA-N 2 1 350.506 4.159 20 0 FIADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750852 1124239390 /nfs/dbraw/zinc/23/93/90/1124239390.db2.gz UBMYHFBZHNPFMH-BJESRGMDSA-N 2 1 350.506 4.159 20 0 FIADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C ZINC000542852114 1124465495 /nfs/dbraw/zinc/46/54/95/1124465495.db2.gz QPCMNONXZYERAX-REWPJTCUSA-N 2 1 366.549 4.419 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1SC ZINC000246508059 1124519399 /nfs/dbraw/zinc/51/93/99/1124519399.db2.gz TXCKMGQWZMOVDN-IAGOWNOFSA-N 2 1 350.572 4.436 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000246528711 1124524679 /nfs/dbraw/zinc/52/46/79/1124524679.db2.gz GGTKMPVJGFPPMH-IXDOHACOSA-N 2 1 374.475 4.425 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC001168662268 1124562685 /nfs/dbraw/zinc/56/26/85/1124562685.db2.gz DODNCVJDCFUZEH-GNXKAVGDSA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC001168662268 1124562690 /nfs/dbraw/zinc/56/26/90/1124562690.db2.gz DODNCVJDCFUZEH-GNXKAVGDSA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)CCO2)cc1 ZINC001168662268 1124562696 /nfs/dbraw/zinc/56/26/96/1124562696.db2.gz DODNCVJDCFUZEH-GNXKAVGDSA-N 2 1 372.553 4.254 20 0 FIADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000246888202 1124571390 /nfs/dbraw/zinc/57/13/90/1124571390.db2.gz QUSPGCBIKARZHP-AVRDEDQJSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000246888202 1124571397 /nfs/dbraw/zinc/57/13/97/1124571397.db2.gz QUSPGCBIKARZHP-AVRDEDQJSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000246888202 1124571401 /nfs/dbraw/zinc/57/14/01/1124571401.db2.gz QUSPGCBIKARZHP-AVRDEDQJSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000246888202 1124571409 /nfs/dbraw/zinc/57/14/09/1124571409.db2.gz QUSPGCBIKARZHP-AVRDEDQJSA-N 2 1 351.494 4.099 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000247059379 1124585921 /nfs/dbraw/zinc/58/59/21/1124585921.db2.gz NRXWHOAJWLGMKD-QZTJIDSGSA-N 2 1 372.557 4.276 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)C1 ZINC000247204591 1124599306 /nfs/dbraw/zinc/59/93/06/1124599306.db2.gz WMVSWWYAYKREHW-YJBOKZPZSA-N 2 1 371.550 4.128 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247943607 1124732453 /nfs/dbraw/zinc/73/24/53/1124732453.db2.gz DGULPJOWVQFVNU-FCEWJHQRSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247943607 1124732457 /nfs/dbraw/zinc/73/24/57/1124732457.db2.gz DGULPJOWVQFVNU-FCEWJHQRSA-N 2 1 368.949 4.136 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(OC)c1 ZINC000247952708 1124733745 /nfs/dbraw/zinc/73/37/45/1124733745.db2.gz FFFRLKCZSQGSRX-GCKMJXCFSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(OC)c1 ZINC000247952708 1124733753 /nfs/dbraw/zinc/73/37/53/1124733753.db2.gz FFFRLKCZSQGSRX-GCKMJXCFSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000248168510 1124749026 /nfs/dbraw/zinc/74/90/26/1124749026.db2.gz UFUJQNMTDIWFTG-SCWSEQNSSA-N 2 1 356.535 4.417 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC2 ZINC000248168510 1124749032 /nfs/dbraw/zinc/74/90/32/1124749032.db2.gz UFUJQNMTDIWFTG-SCWSEQNSSA-N 2 1 356.535 4.417 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248456346 1124771828 /nfs/dbraw/zinc/77/18/28/1124771828.db2.gz SFDTZJHHWAXYGU-IERDGZPVSA-N 2 1 358.913 4.148 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000248458537 1124772551 /nfs/dbraw/zinc/77/25/51/1124772551.db2.gz UVIHBJFPTVXANJ-YADHBBJMSA-N 2 1 370.924 4.148 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168683920 1124800568 /nfs/dbraw/zinc/80/05/68/1124800568.db2.gz CAPXZXUBCKKIQA-AHRSYUTCSA-N 2 1 354.925 4.450 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001168683920 1124800577 /nfs/dbraw/zinc/80/05/77/1124800577.db2.gz CAPXZXUBCKKIQA-AHRSYUTCSA-N 2 1 354.925 4.450 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000249406120 1124857283 /nfs/dbraw/zinc/85/72/83/1124857283.db2.gz WQCGBUBQRQRLEI-LZQZEXGQSA-N 2 1 370.459 4.118 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000249406120 1124857290 /nfs/dbraw/zinc/85/72/90/1124857290.db2.gz WQCGBUBQRQRLEI-LZQZEXGQSA-N 2 1 370.459 4.118 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000090879462 1125024763 /nfs/dbraw/zinc/02/47/63/1125024763.db2.gz AKOZALRVAYZWON-SJORKVTESA-N 2 1 372.476 4.173 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066226 1125117654 /nfs/dbraw/zinc/11/76/54/1125117654.db2.gz YDOFJISGHKOPGH-NFBKMPQASA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066226 1125117657 /nfs/dbraw/zinc/11/76/57/1125117657.db2.gz YDOFJISGHKOPGH-NFBKMPQASA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066226 1125117660 /nfs/dbraw/zinc/11/76/60/1125117660.db2.gz YDOFJISGHKOPGH-NFBKMPQASA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066226 1125117664 /nfs/dbraw/zinc/11/76/64/1125117664.db2.gz YDOFJISGHKOPGH-NFBKMPQASA-N 2 1 365.496 4.336 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311877911 1125235582 /nfs/dbraw/zinc/23/55/82/1125235582.db2.gz BAWJQVWJYLVUMH-OAQYLSRUSA-N 2 1 352.522 4.476 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311877911 1125235587 /nfs/dbraw/zinc/23/55/87/1125235587.db2.gz BAWJQVWJYLVUMH-OAQYLSRUSA-N 2 1 352.522 4.476 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2cc(F)ccc2o1 ZINC000092821186 1125244926 /nfs/dbraw/zinc/24/49/26/1125244926.db2.gz KHUSEQVGLAJPRD-UHFFFAOYSA-N 2 1 368.456 4.100 20 0 FIADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336820 1125305542 /nfs/dbraw/zinc/30/55/42/1125305542.db2.gz GAAOPKDOJAIESK-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336820 1125305549 /nfs/dbraw/zinc/30/55/49/1125305549.db2.gz GAAOPKDOJAIESK-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336820 1125305555 /nfs/dbraw/zinc/30/55/55/1125305555.db2.gz GAAOPKDOJAIESK-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336820 1125305560 /nfs/dbraw/zinc/30/55/60/1125305560.db2.gz GAAOPKDOJAIESK-SFHVURJKSA-N 2 1 366.534 4.092 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000328623688 210113893 /nfs/dbraw/zinc/11/38/93/210113893.db2.gz JHFBDFBLAIXEQH-FYYLOGMGSA-N 2 1 350.506 4.018 20 0 FIADMP C(=C\C[N@H+]1CCC=C(c2ccco2)C1)\C[NH+]1CCC=C(c2ccco2)C1 ZINC000511145363 370688754 /nfs/dbraw/zinc/68/87/54/370688754.db2.gz VMTDARFAMUKKMC-UPHRSURJSA-N 2 1 350.462 4.307 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427037 567952082 /nfs/dbraw/zinc/95/20/82/567952082.db2.gz QZLKUSFFCHHTEB-SFHVURJKSA-N 2 1 374.960 4.022 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062427037 567952084 /nfs/dbraw/zinc/95/20/84/567952084.db2.gz QZLKUSFFCHHTEB-SFHVURJKSA-N 2 1 374.960 4.022 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000521431763 568048043 /nfs/dbraw/zinc/04/80/43/568048043.db2.gz RTCDMRCLXQBJDT-LJQANCHMSA-N 2 1 359.558 4.074 20 0 FIADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OCc1cccs1 ZINC000067507221 568076362 /nfs/dbraw/zinc/07/63/62/568076362.db2.gz MFHJLPABODSMNK-GOSISDBHSA-N 2 1 374.550 4.156 20 0 FIADMP CC(C)n1cc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119877 568224711 /nfs/dbraw/zinc/22/47/11/568224711.db2.gz LGSZXLZLMPKUCJ-GHTZIAJQSA-N 2 1 352.526 4.312 20 0 FIADMP Brc1ccc2c(NCC[NH+]3Cc4ccccc4C3)cc[nH+]c2c1 ZINC000604756879 568365080 /nfs/dbraw/zinc/36/50/80/568365080.db2.gz OTTWUEVIEMZEKM-UHFFFAOYSA-N 2 1 368.278 4.425 20 0 FIADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765972584 1125516321 /nfs/dbraw/zinc/51/63/21/1125516321.db2.gz BEDDBMXOFLUIAX-SOLBZPMBSA-N 2 1 373.566 4.021 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000765972608 1125517542 /nfs/dbraw/zinc/51/75/42/1125517542.db2.gz BJFSQSNEBIWUAN-UGSOOPFHSA-N 2 1 357.325 4.287 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101394 1125746985 /nfs/dbraw/zinc/74/69/85/1125746985.db2.gz VUXUNZYCZJWJEN-UONOGXRCSA-N 2 1 358.498 4.478 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101394 1125746990 /nfs/dbraw/zinc/74/69/90/1125746990.db2.gz VUXUNZYCZJWJEN-UONOGXRCSA-N 2 1 358.498 4.478 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1F ZINC000153191962 1125756178 /nfs/dbraw/zinc/75/61/78/1125756178.db2.gz YTRGPLMVDCACQJ-ZDUSSCGKSA-N 2 1 357.404 4.318 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407425 1125789180 /nfs/dbraw/zinc/78/91/80/1125789180.db2.gz GASYZKZHMGLLHU-JKSUJKDBSA-N 2 1 362.514 4.459 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407425 1125789183 /nfs/dbraw/zinc/78/91/83/1125789183.db2.gz GASYZKZHMGLLHU-JKSUJKDBSA-N 2 1 362.514 4.459 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000610213406 1079973302 /nfs/dbraw/zinc/97/33/02/1079973302.db2.gz CXHNWINXFSQWNC-UHFFFAOYSA-N 2 1 372.509 4.163 20 0 FIADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356915 1080155893 /nfs/dbraw/zinc/15/58/93/1080155893.db2.gz CEBPAYKWXZOYPY-LEWJYISDSA-N 2 1 358.913 4.018 20 0 FIADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000705356915 1080155898 /nfs/dbraw/zinc/15/58/98/1080155898.db2.gz CEBPAYKWXZOYPY-LEWJYISDSA-N 2 1 358.913 4.018 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(SC(F)F)cc2)CC1 ZINC000154536689 1080232257 /nfs/dbraw/zinc/23/22/57/1080232257.db2.gz HXTXFYVPGLNUKO-MRXNPFEDSA-N 2 1 371.541 4.070 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000180155566 1080461847 /nfs/dbraw/zinc/46/18/47/1080461847.db2.gz QILACMZSFWFCNW-JXFKEZNVSA-N 2 1 360.448 4.309 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000180155566 1080461852 /nfs/dbraw/zinc/46/18/52/1080461852.db2.gz QILACMZSFWFCNW-JXFKEZNVSA-N 2 1 360.448 4.309 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2)C1 ZINC001648792077 1080503811 /nfs/dbraw/zinc/50/38/11/1080503811.db2.gz HJZDVMSTSQJZGQ-SFHVURJKSA-N 2 1 352.526 4.130 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)CC1 ZINC001167255141 1080914236 /nfs/dbraw/zinc/91/42/36/1080914236.db2.gz DVYUJJPTSLZWKM-GIVPXCGWSA-N 2 1 362.508 4.479 20 0 FIADMP CC(C)n1c2ccccc2nc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001648811050 1081124737 /nfs/dbraw/zinc/12/47/37/1081124737.db2.gz CXMJBWJLPGNQKY-KDURUIRLSA-N 2 1 356.558 4.465 20 0 FIADMP CCCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC)cc1 ZINC000655709180 1081128968 /nfs/dbraw/zinc/12/89/68/1081128968.db2.gz UNAGIVJDNZXWEM-VXKWHMMOSA-N 2 1 360.542 4.160 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cc(C)cc(C)c43)CC2)oc1C ZINC000655710633 1081129268 /nfs/dbraw/zinc/12/92/68/1081129268.db2.gz BBZOQIOVHPWHMH-OAQYLSRUSA-N 2 1 367.537 4.397 20 0 FIADMP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+](CC4CC4)CC3)s2)cc1C ZINC000655712287 1081129925 /nfs/dbraw/zinc/12/99/25/1081129925.db2.gz QHEARVIKXOGTCU-UHFFFAOYSA-N 2 1 355.551 4.391 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655745315 1081165207 /nfs/dbraw/zinc/16/52/07/1081165207.db2.gz LOVPWDGVOWJESO-XXBNENTESA-N 2 1 371.569 4.116 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758264 1081177771 /nfs/dbraw/zinc/17/77/71/1081177771.db2.gz VADBQGBXLSETSD-AEFFLSMTSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758264 1081177773 /nfs/dbraw/zinc/17/77/73/1081177773.db2.gz VADBQGBXLSETSD-AEFFLSMTSA-N 2 1 370.516 4.062 20 0 FIADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000655764798 1081182572 /nfs/dbraw/zinc/18/25/72/1081182572.db2.gz RRZDKOWMCXQISM-NOXFTYBFSA-N 2 1 356.554 4.147 20 0 FIADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766506 1081182739 /nfs/dbraw/zinc/18/27/39/1081182739.db2.gz HOFQYXDBUYGWHX-RTWAWAEBSA-N 2 1 364.961 4.313 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000121426876 1081243427 /nfs/dbraw/zinc/24/34/27/1081243427.db2.gz KWYOAGBZBWJDOH-VXGBXAGGSA-N 2 1 354.267 4.080 20 0 FIADMP FC(F)(F)Oc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000655845422 1081256625 /nfs/dbraw/zinc/25/66/25/1081256625.db2.gz FLNXGQQGZIZGBM-UHFFFAOYSA-N 2 1 354.416 4.038 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c2c(n1)CCCC2 ZINC001648826750 1081262856 /nfs/dbraw/zinc/26/28/56/1081262856.db2.gz PLRNVGSPBJYJSV-UHFFFAOYSA-N 2 1 363.549 4.331 20 0 FIADMP c1cc(C[N@H+](CCc2noc3ccccc32)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000655938835 1081364780 /nfs/dbraw/zinc/36/47/80/1081364780.db2.gz FHJTYZVCYADOCJ-FQEVSTJZSA-N 2 1 367.518 4.076 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2OCCc4ccccc42)C3)cc1 ZINC000683692377 1081390708 /nfs/dbraw/zinc/39/07/08/1081390708.db2.gz PQIIPDWDWGNWIU-PIATZUFCSA-N 2 1 362.517 4.086 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643738 1081503283 /nfs/dbraw/zinc/50/32/83/1081503283.db2.gz INSGGPVNAFWPMT-RBBKRZOGSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643738 1081503286 /nfs/dbraw/zinc/50/32/86/1081503286.db2.gz INSGGPVNAFWPMT-RBBKRZOGSA-N 2 1 357.501 4.189 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000580249898 1081778929 /nfs/dbraw/zinc/77/89/29/1081778929.db2.gz QQMVOXIYHWSYCV-PZJWPPBQSA-N 2 1 354.542 4.417 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000580249898 1081778936 /nfs/dbraw/zinc/77/89/36/1081778936.db2.gz QQMVOXIYHWSYCV-PZJWPPBQSA-N 2 1 354.542 4.417 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc2ccccc12 ZINC000076965858 1081850231 /nfs/dbraw/zinc/85/02/31/1081850231.db2.gz JQXQLDMOCJTSPC-UHFFFAOYSA-N 2 1 352.526 4.026 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000398009069 1081891618 /nfs/dbraw/zinc/89/16/18/1081891618.db2.gz BZIQXQZGIWLEPD-NPFVIJTESA-N 2 1 354.925 4.307 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000398009069 1081891628 /nfs/dbraw/zinc/89/16/28/1081891628.db2.gz BZIQXQZGIWLEPD-NPFVIJTESA-N 2 1 354.925 4.307 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398201909 1082117053 /nfs/dbraw/zinc/11/70/53/1082117053.db2.gz PXNDEWGKKDHYMU-WMZHIEFXSA-N 2 1 352.522 4.476 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000580903807 1082213947 /nfs/dbraw/zinc/21/39/47/1082213947.db2.gz XSFUAUZYNDASLI-UHFFFAOYSA-N 2 1 351.313 4.015 20 0 FIADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCOCC3CCCC3)C2)cc1 ZINC000656404948 1082331140 /nfs/dbraw/zinc/33/11/40/1082331140.db2.gz HIYFBLANNAOSJU-ZJZGAYNASA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCOCC3CCCC3)C2)cc1 ZINC000656404948 1082331147 /nfs/dbraw/zinc/33/11/47/1082331147.db2.gz HIYFBLANNAOSJU-ZJZGAYNASA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCOCC3CCCC3)C2)cc1 ZINC000656404948 1082331157 /nfs/dbraw/zinc/33/11/57/1082331157.db2.gz HIYFBLANNAOSJU-ZJZGAYNASA-N 2 1 368.565 4.036 20 0 FIADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000581399657 1082526614 /nfs/dbraw/zinc/52/66/14/1082526614.db2.gz ZFDZHOGHERHKBM-QGZVFWFLSA-N 2 1 351.966 4.014 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000581549011 1082655589 /nfs/dbraw/zinc/65/55/89/1082655589.db2.gz KSUNHFSDCBWSID-WBVHZDCISA-N 2 1 365.477 4.063 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000581549011 1082655595 /nfs/dbraw/zinc/65/55/95/1082655595.db2.gz KSUNHFSDCBWSID-WBVHZDCISA-N 2 1 365.477 4.063 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cncc(Br)c1 ZINC000581678617 1082795016 /nfs/dbraw/zinc/79/50/16/1082795016.db2.gz VCEHMDLUNXBOEM-GJZGRUSLSA-N 2 1 354.336 4.007 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642082 1082807573 /nfs/dbraw/zinc/80/75/73/1082807573.db2.gz URCXNLNLSTVUEP-FXAWDEMLSA-N 2 1 367.493 4.009 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642082 1082807582 /nfs/dbraw/zinc/80/75/82/1082807582.db2.gz URCXNLNLSTVUEP-FXAWDEMLSA-N 2 1 367.493 4.009 20 0 FIADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000471760862 1082959024 /nfs/dbraw/zinc/95/90/24/1082959024.db2.gz RVYYOVMVNRGLFP-MRXNPFEDSA-N 2 1 353.441 4.032 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430758101 1083145952 /nfs/dbraw/zinc/14/59/52/1083145952.db2.gz YZBXQAQJWXFOCM-AJKMGBEJSA-N 2 1 369.322 4.153 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CCc3c(F)cccc3F)CC2)[nH+]1 ZINC000510688475 1083235878 /nfs/dbraw/zinc/23/58/78/1083235878.db2.gz QSZDYGYPDXOXAW-INIZCTEOSA-N 2 1 359.464 4.248 20 0 FIADMP Cc1cccc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430925463 1083238770 /nfs/dbraw/zinc/23/87/70/1083238770.db2.gz LSFDMVVHMZZLJW-FQEVSTJZSA-N 2 1 357.586 4.184 20 0 FIADMP Cc1cccc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430925463 1083238773 /nfs/dbraw/zinc/23/87/73/1083238773.db2.gz LSFDMVVHMZZLJW-FQEVSTJZSA-N 3 1 357.586 4.184 20 0 FIADMP Cc1cccc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430925463 1083238777 /nfs/dbraw/zinc/23/87/77/1083238777.db2.gz LSFDMVVHMZZLJW-FQEVSTJZSA-N 3 1 357.586 4.184 20 0 FIADMP Cc1cc(OCCC[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000510699636 1083245496 /nfs/dbraw/zinc/24/54/96/1083245496.db2.gz CGGKTNPYOAUWLG-MRXNPFEDSA-N 2 1 350.934 4.412 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318721 1083405839 /nfs/dbraw/zinc/40/58/39/1083405839.db2.gz SJLVZDQOFSVSEW-VXKWHMMOSA-N 2 1 361.533 4.351 20 0 FIADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318663 1083405909 /nfs/dbraw/zinc/40/59/09/1083405909.db2.gz RTAAYXDWVARCHR-BHDDXSALSA-N 2 1 356.554 4.084 20 0 FIADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658320214 1083407017 /nfs/dbraw/zinc/40/70/17/1083407017.db2.gz RUZDZRMPUAYGLH-DENIHFKCSA-N 2 1 366.553 4.417 20 0 FIADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658339391 1083415670 /nfs/dbraw/zinc/41/56/70/1083415670.db2.gz JTTDAQOBKHZTMN-LTKAXEJJSA-N 2 1 366.549 4.184 20 0 FIADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510952622 1083529618 /nfs/dbraw/zinc/52/96/18/1083529618.db2.gz RXRCXPFDJBRLLG-NRFANRHFSA-N 2 1 357.586 4.140 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000510952622 1083529621 /nfs/dbraw/zinc/52/96/21/1083529621.db2.gz RXRCXPFDJBRLLG-NRFANRHFSA-N 2 1 357.586 4.140 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000510979878 1083554957 /nfs/dbraw/zinc/55/49/57/1083554957.db2.gz FSHYRVLFJBIYCQ-RJPLPAITSA-N 2 1 364.961 4.313 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000030640102 1083557328 /nfs/dbraw/zinc/55/73/28/1083557328.db2.gz KKBJDBCCRAESAH-UHFFFAOYSA-N 2 1 373.928 4.412 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000030640102 1083557334 /nfs/dbraw/zinc/55/73/34/1083557334.db2.gz KKBJDBCCRAESAH-UHFFFAOYSA-N 2 1 373.928 4.412 20 0 FIADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000548909449 1083632185 /nfs/dbraw/zinc/63/21/85/1083632185.db2.gz BKRKNMQNRAKYLM-IBGZPJMESA-N 2 1 366.553 4.045 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000548909449 1083632193 /nfs/dbraw/zinc/63/21/93/1083632193.db2.gz BKRKNMQNRAKYLM-IBGZPJMESA-N 2 1 366.553 4.045 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000510985437 1083699462 /nfs/dbraw/zinc/69/94/62/1083699462.db2.gz MBXVHJSSMCOPOU-BPXKWBHBSA-N 2 1 368.496 4.464 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000510985437 1083699464 /nfs/dbraw/zinc/69/94/64/1083699464.db2.gz MBXVHJSSMCOPOU-BPXKWBHBSA-N 2 1 368.496 4.464 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000510985441 1083699875 /nfs/dbraw/zinc/69/98/75/1083699875.db2.gz MBXVHJSSMCOPOU-WVBUVRCRSA-N 2 1 368.496 4.464 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000510985441 1083699880 /nfs/dbraw/zinc/69/98/80/1083699880.db2.gz MBXVHJSSMCOPOU-WVBUVRCRSA-N 2 1 368.496 4.464 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1)C1CC1 ZINC000458296566 1083812706 /nfs/dbraw/zinc/81/27/06/1083812706.db2.gz YJDHNIMQVLTTHO-UHFFFAOYSA-N 2 1 365.521 4.293 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000236720933 1083973108 /nfs/dbraw/zinc/97/31/08/1083973108.db2.gz SCUXUQKVEFZBBW-QZTJIDSGSA-N 2 1 357.542 4.013 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+](C)C2CCCCC2)cc1)C1CC1 ZINC000511389992 1084160402 /nfs/dbraw/zinc/16/04/02/1084160402.db2.gz GVRYMSWBEDUFEU-UHFFFAOYSA-N 2 1 371.569 4.055 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1)C1CC1 ZINC000511389992 1084160409 /nfs/dbraw/zinc/16/04/09/1084160409.db2.gz GVRYMSWBEDUFEU-UHFFFAOYSA-N 2 1 371.569 4.055 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1)C1CC1 ZINC000511389992 1084160417 /nfs/dbraw/zinc/16/04/17/1084160417.db2.gz GVRYMSWBEDUFEU-UHFFFAOYSA-N 2 1 371.569 4.055 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ncc(Cl)s1 ZINC000472080484 1084252571 /nfs/dbraw/zinc/25/25/71/1084252571.db2.gz PIOHJMTWFXAXMC-UHFFFAOYSA-N 2 1 361.898 4.311 20 0 FIADMP CC(C)c1noc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000536487159 1084402483 /nfs/dbraw/zinc/40/24/83/1084402483.db2.gz XNCZQGZBXVRCFZ-GOSISDBHSA-N 2 1 368.525 4.242 20 0 FIADMP CC(C)c1noc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000536487159 1084402497 /nfs/dbraw/zinc/40/24/97/1084402497.db2.gz XNCZQGZBXVRCFZ-GOSISDBHSA-N 2 1 368.525 4.242 20 0 FIADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000657335188 1084611759 /nfs/dbraw/zinc/61/17/59/1084611759.db2.gz MNUCEAOVDIFLMG-CYBMUJFWSA-N 2 1 351.288 4.015 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000657335188 1084611769 /nfs/dbraw/zinc/61/17/69/1084611769.db2.gz MNUCEAOVDIFLMG-CYBMUJFWSA-N 2 1 351.288 4.015 20 0 FIADMP c1c2ccncc2sc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335323 1084622956 /nfs/dbraw/zinc/62/29/56/1084622956.db2.gz NQBUIWRSTRKXNY-GOSISDBHSA-N 2 1 351.519 4.298 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnn1-c1cccc(Cl)c1 ZINC000414202362 1084799748 /nfs/dbraw/zinc/79/97/48/1084799748.db2.gz ZCDNGXYTROYBRL-NVXWUHKLSA-N 2 1 360.933 4.217 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534921 1084900886 /nfs/dbraw/zinc/90/08/86/1084900886.db2.gz DLIWFRZXCCWGLX-CHWSQXEVSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534921 1084900888 /nfs/dbraw/zinc/90/08/88/1084900888.db2.gz DLIWFRZXCCWGLX-CHWSQXEVSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534921 1084900893 /nfs/dbraw/zinc/90/08/93/1084900893.db2.gz DLIWFRZXCCWGLX-CHWSQXEVSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H]([NH2+]Cc1cc2ccncc2s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429693 1085003521 /nfs/dbraw/zinc/00/35/21/1085003521.db2.gz IRBPUQVJXZQRGM-LPHOPBHVSA-N 2 1 351.519 4.297 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000472584094 1085049324 /nfs/dbraw/zinc/04/93/24/1085049324.db2.gz GOVNTAOTMZVGSZ-XXFRDUSWSA-N 2 1 369.597 4.361 20 0 FIADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000310886270 1085073576 /nfs/dbraw/zinc/07/35/76/1085073576.db2.gz JIICXMRKIWSNQE-NRFANRHFSA-N 2 1 358.913 4.350 20 0 FIADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000310886271 1085074062 /nfs/dbraw/zinc/07/40/62/1085074062.db2.gz JIICXMRKIWSNQE-OAQYLSRUSA-N 2 1 358.913 4.350 20 0 FIADMP Fc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000657452235 1085100611 /nfs/dbraw/zinc/10/06/11/1085100611.db2.gz BTQMVTJXWOVRHW-INIZCTEOSA-N 2 1 364.411 4.039 20 0 FIADMP Fc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000657452235 1085100612 /nfs/dbraw/zinc/10/06/12/1085100612.db2.gz BTQMVTJXWOVRHW-INIZCTEOSA-N 2 1 364.411 4.039 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000582614668 1085251332 /nfs/dbraw/zinc/25/13/32/1085251332.db2.gz ZHHAUGOFKGERDZ-UGKGYDQZSA-N 2 1 366.553 4.009 20 0 FIADMP CSC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671374 1085290866 /nfs/dbraw/zinc/29/08/66/1085290866.db2.gz JKMSCOCXOMTCBH-ZACQAIPSSA-N 2 1 358.473 4.326 20 0 FIADMP CSC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671374 1085290871 /nfs/dbraw/zinc/29/08/71/1085290871.db2.gz JKMSCOCXOMTCBH-ZACQAIPSSA-N 2 1 358.473 4.326 20 0 FIADMP COc1cc(OC)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000651669624 1085317034 /nfs/dbraw/zinc/31/70/34/1085317034.db2.gz CICQABNBMWGPDY-UHFFFAOYSA-N 2 1 372.484 4.119 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000582681517 1085368372 /nfs/dbraw/zinc/36/83/72/1085368372.db2.gz YIWUAVMEGBNDOG-XYJFISCASA-N 2 1 373.928 4.305 20 0 FIADMP C[C@@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000237345144 1085403586 /nfs/dbraw/zinc/40/35/86/1085403586.db2.gz XNASFUIUEROBTJ-SFHVURJKSA-N 2 1 371.569 4.415 20 0 FIADMP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806761 1085594681 /nfs/dbraw/zinc/59/46/81/1085594681.db2.gz UEQSBSMHPLEVLV-INIZCTEOSA-N 2 1 374.554 4.447 20 0 FIADMP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(OC)c1 ZINC000661471489 1085594954 /nfs/dbraw/zinc/59/49/54/1085594954.db2.gz XAFJTCSKJVMQNH-HSZRJFAPSA-N 2 1 368.521 4.158 20 0 FIADMP O[C@@H](C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161401388 1085722138 /nfs/dbraw/zinc/72/21/38/1085722138.db2.gz KUFUJPWLNSLKDW-MOPGFXCFSA-N 2 1 350.572 4.292 20 0 FIADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814018 1085763260 /nfs/dbraw/zinc/76/32/60/1085763260.db2.gz WYTAOERGJJKUNT-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814018 1085763264 /nfs/dbraw/zinc/76/32/64/1085763264.db2.gz WYTAOERGJJKUNT-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814018 1085763270 /nfs/dbraw/zinc/76/32/70/1085763270.db2.gz WYTAOERGJJKUNT-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814018 1085763278 /nfs/dbraw/zinc/76/32/78/1085763278.db2.gz WYTAOERGJJKUNT-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814018 1085763287 /nfs/dbraw/zinc/76/32/87/1085763287.db2.gz WYTAOERGJJKUNT-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000537941080 1085849750 /nfs/dbraw/zinc/84/97/50/1085849750.db2.gz HJCRVUZFTUVCEF-IRLDBZIGSA-N 3 1 369.597 4.284 20 0 FIADMP COCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024060 1086040992 /nfs/dbraw/zinc/04/09/92/1086040992.db2.gz FPGHOAGFGLGKJN-JOCHJYFZSA-N 2 1 350.506 4.120 20 0 FIADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024060 1086041005 /nfs/dbraw/zinc/04/10/05/1086041005.db2.gz FPGHOAGFGLGKJN-JOCHJYFZSA-N 2 1 350.506 4.120 20 0 FIADMP C[C@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000248880229 1086178228 /nfs/dbraw/zinc/17/82/28/1086178228.db2.gz KLYRBXOUCDBINF-BJESRGMDSA-N 2 1 356.554 4.103 20 0 FIADMP CCC(CC)(C[NH2+]C1CCC2(CC1)OCCO2)[NH2+][C@H](C)c1ccccc1 ZINC000161532298 1086206281 /nfs/dbraw/zinc/20/62/81/1086206281.db2.gz MCYWBPNLPNKDDJ-GOSISDBHSA-N 2 1 360.542 4.171 20 0 FIADMP c1c(C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000662208143 1086310826 /nfs/dbraw/zinc/31/08/26/1086310826.db2.gz KZQMYSTZIKIVHS-UHFFFAOYSA-N 2 1 359.517 4.406 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001167658708 1086388364 /nfs/dbraw/zinc/38/83/64/1086388364.db2.gz KOWORSNPDQJQNL-PXNSSMCTSA-N 2 1 364.574 4.083 20 0 FIADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294433 1086398420 /nfs/dbraw/zinc/39/84/20/1086398420.db2.gz WCAYOPFXMOTFLK-GOEBONIOSA-N 2 1 362.468 4.204 20 0 FIADMP CC(C)Oc1ccnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001167659947 1086408631 /nfs/dbraw/zinc/40/86/31/1086408631.db2.gz XYLXAZGUYHDWEC-IBGZPJMESA-N 2 1 359.558 4.345 20 0 FIADMP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326731 1086418281 /nfs/dbraw/zinc/41/82/81/1086418281.db2.gz AYMXWXSHJCPEKN-AWEZNQCLSA-N 2 1 374.479 4.096 20 0 FIADMP Cc1cccc([C@@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327732 1086418529 /nfs/dbraw/zinc/41/85/29/1086418529.db2.gz UIYFHJHKJLRKTH-QGZVFWFLSA-N 2 1 352.526 4.126 20 0 FIADMP CC(C)(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000161598384 1086423839 /nfs/dbraw/zinc/42/38/39/1086423839.db2.gz WBSZPMZAFUQQDS-IFMALSPDSA-N 2 1 355.570 4.169 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343761 1086442954 /nfs/dbraw/zinc/44/29/54/1086442954.db2.gz DSIVUAJDTSMJFF-MRXNPFEDSA-N 2 1 359.514 4.161 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343761 1086442961 /nfs/dbraw/zinc/44/29/61/1086442961.db2.gz DSIVUAJDTSMJFF-MRXNPFEDSA-N 2 1 359.514 4.161 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)[C@@H](C[NH3+])CCC4)c2C1 ZINC000662706903 1086531044 /nfs/dbraw/zinc/53/10/44/1086531044.db2.gz YJKZWBQCSNMSJS-GOSISDBHSA-N 2 1 363.505 4.043 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)[C@@H](C[NH3+])CCC4)c2C1 ZINC000662706903 1086531048 /nfs/dbraw/zinc/53/10/48/1086531048.db2.gz YJKZWBQCSNMSJS-GOSISDBHSA-N 2 1 363.505 4.043 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663443867 1086546545 /nfs/dbraw/zinc/54/65/45/1086546545.db2.gz RYYYSZYGJOUWHC-MRXNPFEDSA-N 2 1 367.356 4.228 20 0 FIADMP COc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000643375263 1086559026 /nfs/dbraw/zinc/55/90/26/1086559026.db2.gz VDIMGUBTWHOECI-CTNGQTDRSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000643375263 1086559037 /nfs/dbraw/zinc/55/90/37/1086559037.db2.gz VDIMGUBTWHOECI-CTNGQTDRSA-N 2 1 368.521 4.107 20 0 FIADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751859 1086571639 /nfs/dbraw/zinc/57/16/39/1086571639.db2.gz MEWMIOADUNRVLN-HNNXBMFYSA-N 2 1 364.942 4.206 20 0 FIADMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663469690 1086574692 /nfs/dbraw/zinc/57/46/92/1086574692.db2.gz GVWYIUSVSQSQDH-DOTOQJQBSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663469690 1086574700 /nfs/dbraw/zinc/57/47/00/1086574700.db2.gz GVWYIUSVSQSQDH-DOTOQJQBSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnccc3C(F)(F)F)CC2)C1 ZINC000663474385 1086581013 /nfs/dbraw/zinc/58/10/13/1086581013.db2.gz NUNHJJGTSDAJMU-WMLDXEAASA-N 2 1 355.448 4.233 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnccc3C(F)(F)F)CC2)C1 ZINC000663474383 1086581622 /nfs/dbraw/zinc/58/16/22/1086581622.db2.gz NUNHJJGTSDAJMU-PBHICJAKSA-N 2 1 355.448 4.233 20 0 FIADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000663500161 1086612652 /nfs/dbraw/zinc/61/26/52/1086612652.db2.gz PVNXVWQQRHUKFM-OAHLLOKOSA-N 2 1 357.445 4.292 20 0 FIADMP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000467019220 1086676086 /nfs/dbraw/zinc/67/60/86/1086676086.db2.gz VRPCAXUBURBEIN-UHFFFAOYSA-N 2 1 361.917 4.215 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167834824 1086690405 /nfs/dbraw/zinc/69/04/05/1086690405.db2.gz NAYQAPAUOKBXST-OALUTQOASA-N 2 1 369.594 4.217 20 0 FIADMP CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167839576 1086716385 /nfs/dbraw/zinc/71/63/85/1086716385.db2.gz ALTOXBWLAANDAZ-OALUTQOASA-N 2 1 369.594 4.218 20 0 FIADMP CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167839581 1086716417 /nfs/dbraw/zinc/71/64/17/1086716417.db2.gz ALTOXBWLAANDAZ-RTBURBONSA-N 2 1 369.594 4.218 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413288 1086736018 /nfs/dbraw/zinc/73/60/18/1086736018.db2.gz FXNMVPHPDYMPAZ-IRXDYDNUSA-N 2 1 373.566 4.270 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413288 1086736025 /nfs/dbraw/zinc/73/60/25/1086736025.db2.gz FXNMVPHPDYMPAZ-IRXDYDNUSA-N 2 1 373.566 4.270 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413230 1086736065 /nfs/dbraw/zinc/73/60/65/1086736065.db2.gz LMBGGSLROUUIKV-HNAYVOBHSA-N 2 1 370.459 4.247 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167841741 1086739384 /nfs/dbraw/zinc/73/93/84/1086739384.db2.gz PZHOLNHBJFOKKR-OALUTQOASA-N 2 1 369.594 4.076 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000650705406 1086749332 /nfs/dbraw/zinc/74/93/32/1086749332.db2.gz GFJGPMZVMVFFFL-ZLNRFVROSA-N 2 1 350.506 4.072 20 0 FIADMP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000432425782 1086752435 /nfs/dbraw/zinc/75/24/35/1086752435.db2.gz NPYAXAZCRNXDNI-NVFTXBOLSA-N 2 1 370.581 4.470 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)C1 ZINC000650706383 1086755684 /nfs/dbraw/zinc/75/56/84/1086755684.db2.gz JOZAIIWBBDWPOF-YFVAEKQCSA-N 2 1 356.535 4.133 20 0 FIADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432430009 1086757490 /nfs/dbraw/zinc/75/74/90/1086757490.db2.gz RJRVIGFAGMOSGL-QZTJIDSGSA-N 2 1 350.572 4.339 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(Cl)c3)CCCC2)s1 ZINC000512116817 1086785117 /nfs/dbraw/zinc/78/51/17/1086785117.db2.gz PWAUSEVKTYLVBR-UHFFFAOYSA-N 2 1 363.958 4.460 20 0 FIADMP Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)o2)c1 ZINC000728571333 1086798791 /nfs/dbraw/zinc/79/87/91/1086798791.db2.gz BLCJLCRZWKJWOR-QGZVFWFLSA-N 2 1 356.514 4.158 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512131295 1086799395 /nfs/dbraw/zinc/79/93/95/1086799395.db2.gz ONVYLDYSBAOVQW-INIZCTEOSA-N 2 1 358.555 4.191 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512131295 1086799398 /nfs/dbraw/zinc/79/93/98/1086799398.db2.gz ONVYLDYSBAOVQW-INIZCTEOSA-N 2 1 358.555 4.191 20 0 FIADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000728571419 1086809073 /nfs/dbraw/zinc/80/90/73/1086809073.db2.gz DOTJRBOCZMOXFM-SFHVURJKSA-N 2 1 359.558 4.191 20 0 FIADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000728571419 1086809088 /nfs/dbraw/zinc/80/90/88/1086809088.db2.gz DOTJRBOCZMOXFM-SFHVURJKSA-N 2 1 359.558 4.191 20 0 FIADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000728571418 1086810146 /nfs/dbraw/zinc/81/01/46/1086810146.db2.gz DOTJRBOCZMOXFM-GOSISDBHSA-N 2 1 359.558 4.191 20 0 FIADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000728571418 1086810159 /nfs/dbraw/zinc/81/01/59/1086810159.db2.gz DOTJRBOCZMOXFM-GOSISDBHSA-N 2 1 359.558 4.191 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)C1 ZINC000151122581 1086942143 /nfs/dbraw/zinc/94/21/43/1086942143.db2.gz VKWYSGHHMYUKPA-QFBILLFUSA-N 2 1 357.567 4.425 20 0 FIADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000151141848 1086963969 /nfs/dbraw/zinc/96/39/69/1086963969.db2.gz RIHZXXLRFFFJGI-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000151141848 1086963970 /nfs/dbraw/zinc/96/39/70/1086963970.db2.gz RIHZXXLRFFFJGI-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000151359146 1087095819 /nfs/dbraw/zinc/09/58/19/1087095819.db2.gz NBKYQSLTEZQKFK-LJQANCHMSA-N 2 1 372.475 4.229 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584173224 1087201137 /nfs/dbraw/zinc/20/11/37/1087201137.db2.gz ZVXKTDOBRPKQHA-MBSDFSHPSA-N 2 1 363.505 4.075 20 0 FIADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657834448 1087214432 /nfs/dbraw/zinc/21/44/32/1087214432.db2.gz KBFYWRHNGZDPDH-OCCSQVGLSA-N 2 1 360.851 4.364 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000089667539 1087390315 /nfs/dbraw/zinc/39/03/15/1087390315.db2.gz LQDSVNSLCSISAY-PKOBYXMFSA-N 2 1 369.578 4.207 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000089667544 1087390383 /nfs/dbraw/zinc/39/03/83/1087390383.db2.gz LQDSVNSLCSISAY-HKUYNNGSSA-N 2 1 369.578 4.207 20 0 FIADMP COc1cccc(COCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000090806644 1087414736 /nfs/dbraw/zinc/41/47/36/1087414736.db2.gz PLAZSPWLLFRPJO-KRWDZBQOSA-N 2 1 365.477 4.057 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2cnccc2o1 ZINC000657862016 1087424461 /nfs/dbraw/zinc/42/44/61/1087424461.db2.gz XULHUHNCYDKQMG-JKSUJKDBSA-N 2 1 355.507 4.452 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2cnccc2o1 ZINC000657862016 1087424462 /nfs/dbraw/zinc/42/44/62/1087424462.db2.gz XULHUHNCYDKQMG-JKSUJKDBSA-N 2 1 355.507 4.452 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](c3cccnc3)C(C)C)CC2)cs1 ZINC000091336891 1087427855 /nfs/dbraw/zinc/42/78/55/1087427855.db2.gz AKWUAGIZRSJSTR-NRFANRHFSA-N 2 1 372.582 4.299 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc(F)cn1 ZINC000092752550 1087447576 /nfs/dbraw/zinc/44/75/76/1087447576.db2.gz XPMYTBULPJKDOZ-INIZCTEOSA-N 2 1 353.441 4.297 20 0 FIADMP c1ccc(C2CCC(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000685424249 1087564844 /nfs/dbraw/zinc/56/48/44/1087564844.db2.gz JDWFBVQDMUAPGC-IRSIHTCSSA-N 2 1 356.554 4.193 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443107 1087569218 /nfs/dbraw/zinc/56/92/18/1087569218.db2.gz YGEUTJZLPVVYQQ-XMMPIXPASA-N 2 1 372.516 4.175 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443107 1087569220 /nfs/dbraw/zinc/56/92/20/1087569220.db2.gz YGEUTJZLPVVYQQ-XMMPIXPASA-N 2 1 372.516 4.175 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000685443107 1087569225 /nfs/dbraw/zinc/56/92/25/1087569225.db2.gz YGEUTJZLPVVYQQ-XMMPIXPASA-N 2 1 372.516 4.175 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000685443107 1087569230 /nfs/dbraw/zinc/56/92/30/1087569230.db2.gz YGEUTJZLPVVYQQ-XMMPIXPASA-N 2 1 372.516 4.175 20 0 FIADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470331 1087577547 /nfs/dbraw/zinc/57/75/47/1087577547.db2.gz HAJBPTGDQUCJQM-VGSWGCGISA-N 2 1 356.485 4.177 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470331 1087577550 /nfs/dbraw/zinc/57/75/50/1087577550.db2.gz HAJBPTGDQUCJQM-VGSWGCGISA-N 2 1 356.485 4.177 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470331 1087577551 /nfs/dbraw/zinc/57/75/51/1087577551.db2.gz HAJBPTGDQUCJQM-VGSWGCGISA-N 2 1 356.485 4.177 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470331 1087577552 /nfs/dbraw/zinc/57/75/52/1087577552.db2.gz HAJBPTGDQUCJQM-VGSWGCGISA-N 2 1 356.485 4.177 20 0 FIADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470346 1087577558 /nfs/dbraw/zinc/57/75/58/1087577558.db2.gz HIVURJHGMAQTIL-XXBNENTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470346 1087577559 /nfs/dbraw/zinc/57/75/59/1087577559.db2.gz HIVURJHGMAQTIL-XXBNENTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470346 1087577560 /nfs/dbraw/zinc/57/75/60/1087577560.db2.gz HIVURJHGMAQTIL-XXBNENTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470346 1087577561 /nfs/dbraw/zinc/57/75/61/1087577561.db2.gz HIVURJHGMAQTIL-XXBNENTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470346 1087577562 /nfs/dbraw/zinc/57/75/62/1087577562.db2.gz HIVURJHGMAQTIL-XXBNENTESA-N 2 1 361.533 4.462 20 0 FIADMP CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cc1OC ZINC000685467385 1087577927 /nfs/dbraw/zinc/57/79/27/1087577927.db2.gz PKXKHDZVFMBPHY-UHFFFAOYSA-N 2 1 368.521 4.190 20 0 FIADMP CCOc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000685467385 1087577932 /nfs/dbraw/zinc/57/79/32/1087577932.db2.gz PKXKHDZVFMBPHY-UHFFFAOYSA-N 2 1 368.521 4.190 20 0 FIADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC(F)(F)CC1 ZINC000685473453 1087579741 /nfs/dbraw/zinc/57/97/41/1087579741.db2.gz CHDMERYCSKBCMS-UHFFFAOYSA-N 2 1 352.469 4.171 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000685632435 1087649913 /nfs/dbraw/zinc/64/99/13/1087649913.db2.gz RPDJCFQRRXVXNE-LJQANCHMSA-N 2 1 354.542 4.099 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632435 1087649914 /nfs/dbraw/zinc/64/99/14/1087649914.db2.gz RPDJCFQRRXVXNE-LJQANCHMSA-N 2 1 354.542 4.099 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685661497 1087665740 /nfs/dbraw/zinc/66/57/40/1087665740.db2.gz UOPUZMXIEIOQDU-GOUWZUTHSA-N 2 1 364.533 4.407 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C3CC3)cc2cc1OC ZINC000658030526 1087699641 /nfs/dbraw/zinc/69/96/41/1087699641.db2.gz DJLSDIWLTCMALL-MRXNPFEDSA-N 2 1 356.510 4.382 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000658034162 1087703852 /nfs/dbraw/zinc/70/38/52/1087703852.db2.gz COIBQOQUXITMLV-SJORKVTESA-N 2 1 356.510 4.240 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000414772263 1087734774 /nfs/dbraw/zinc/73/47/74/1087734774.db2.gz BOPVSHIKQGYFLG-PMACEKPBSA-N 2 1 351.494 4.004 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(s1)CCCC2 ZINC000658142533 1087735503 /nfs/dbraw/zinc/73/55/03/1087735503.db2.gz YMMKNYMCNWKEOG-UZLBHIALSA-N 2 1 370.562 4.044 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2c1 ZINC000658147229 1087739037 /nfs/dbraw/zinc/73/90/37/1087739037.db2.gz XJPLDLDNVGOSLW-MHECFPHRSA-N 2 1 360.501 4.257 20 0 FIADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658137677 1087741876 /nfs/dbraw/zinc/74/18/76/1087741876.db2.gz HXRPQUBAPMNQCG-FDDCHVKYSA-N 2 1 352.522 4.227 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138441 1087743966 /nfs/dbraw/zinc/74/39/66/1087743966.db2.gz NKRUEKQGOBFRCF-GGAORHGYSA-N 2 1 364.533 4.037 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(Cl)cc43)cc2)C1 ZINC000658140704 1087745035 /nfs/dbraw/zinc/74/50/35/1087745035.db2.gz UVBFYYHNCSENIL-UNMCSNQZSA-N 2 1 370.924 4.074 20 0 FIADMP CC(C)CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658139243 1087746068 /nfs/dbraw/zinc/74/60/68/1087746068.db2.gz PMVQZBZRJBYDES-FGZHOGPDSA-N 2 1 356.510 4.113 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)[C@H](C)C1 ZINC000658186761 1087775695 /nfs/dbraw/zinc/77/56/95/1087775695.db2.gz CQPRGSSPLIHKML-OAUYIBNBSA-N 2 1 369.372 4.057 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)[C@H](C)C1 ZINC000658186761 1087775708 /nfs/dbraw/zinc/77/57/08/1087775708.db2.gz CQPRGSSPLIHKML-OAUYIBNBSA-N 2 1 369.372 4.057 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(Cl)c1 ZINC000424320350 1087919079 /nfs/dbraw/zinc/91/90/79/1087919079.db2.gz SRTPMURBBZDOQB-AWEZNQCLSA-N 2 1 374.916 4.075 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424373450 1087961339 /nfs/dbraw/zinc/96/13/39/1087961339.db2.gz GXCHFHZDOMNSHZ-GOSISDBHSA-N 2 1 350.506 4.326 20 0 FIADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)ccc1F ZINC000504929636 1087996180 /nfs/dbraw/zinc/99/61/80/1087996180.db2.gz KJTSFHYXHQFVIO-KRWDZBQOSA-N 2 1 356.485 4.458 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000472602159 1088028160 /nfs/dbraw/zinc/02/81/60/1088028160.db2.gz UKPHSMLNJMFNBF-UHFFFAOYSA-N 2 1 350.506 4.422 20 0 FIADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414794598 1088038166 /nfs/dbraw/zinc/03/81/66/1088038166.db2.gz VPRNBYFJLKRRFO-UHFFFAOYSA-N 2 1 366.896 4.034 20 0 FIADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000423233539 1088078237 /nfs/dbraw/zinc/07/82/37/1088078237.db2.gz DQCXVFRYTRLTEQ-YTFSRNRJSA-N 2 1 351.538 4.235 20 0 FIADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414809785 1088174656 /nfs/dbraw/zinc/17/46/56/1088174656.db2.gz UMWKRKVITBISRO-IUODEOHRSA-N 2 1 355.429 4.046 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285865 1088415709 /nfs/dbraw/zinc/41/57/09/1088415709.db2.gz SMEXWIPTMJZDDG-HTAPYJJXSA-N 2 1 363.505 4.234 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000311258131 1088473813 /nfs/dbraw/zinc/47/38/13/1088473813.db2.gz MMPRNPYEFMUDGF-MKXGPGLRSA-N 2 1 367.578 4.017 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000311258131 1088473821 /nfs/dbraw/zinc/47/38/21/1088473821.db2.gz MMPRNPYEFMUDGF-MKXGPGLRSA-N 2 1 367.578 4.017 20 0 FIADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000782952390 1088730021 /nfs/dbraw/zinc/73/00/21/1088730021.db2.gz KGDYTTMAFIEDMW-UHFFFAOYSA-N 2 1 360.542 4.194 20 0 FIADMP CN(Cc1cc2cc(Cl)cnc2o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648371732 1088929287 /nfs/dbraw/zinc/92/92/87/1088929287.db2.gz HYBMIWMOGAJUAS-QGZVFWFLSA-N 2 1 369.896 4.435 20 0 FIADMP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000648371732 1088929292 /nfs/dbraw/zinc/92/92/92/1088929292.db2.gz HYBMIWMOGAJUAS-QGZVFWFLSA-N 2 1 369.896 4.435 20 0 FIADMP C[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000648371732 1088929296 /nfs/dbraw/zinc/92/92/96/1088929296.db2.gz HYBMIWMOGAJUAS-QGZVFWFLSA-N 2 1 369.896 4.435 20 0 FIADMP C[NH+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648371732 1088929301 /nfs/dbraw/zinc/92/93/01/1088929301.db2.gz HYBMIWMOGAJUAS-QGZVFWFLSA-N 2 1 369.896 4.435 20 0 FIADMP Cc1cccc(C)c1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690095 1088947512 /nfs/dbraw/zinc/94/75/12/1088947512.db2.gz ZJHSCZFRQGRHAT-UHFFFAOYSA-N 2 1 353.510 4.095 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000312390445 1089060217 /nfs/dbraw/zinc/06/02/17/1089060217.db2.gz CTQUTUVUNQEUCI-ICSRJNTNSA-N 2 1 366.505 4.021 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415084493 1089140511 /nfs/dbraw/zinc/14/05/11/1089140511.db2.gz RJLGIYYKORRHKV-SLFFLAALSA-N 2 1 355.457 4.023 20 0 FIADMP Cc1ccc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc2n1 ZINC000435055716 1089244370 /nfs/dbraw/zinc/24/43/70/1089244370.db2.gz DFFUPVMGMLGZRE-UHFFFAOYSA-N 2 1 360.505 4.456 20 0 FIADMP CCOC[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235836 1089314713 /nfs/dbraw/zinc/31/47/13/1089314713.db2.gz OYWGTUJRHNWNGU-PXWCZTGZSA-N 2 1 350.934 4.269 20 0 FIADMP Cc1ncc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000549270380 1089511111 /nfs/dbraw/zinc/51/11/11/1089511111.db2.gz WECDZKVUGSGTJU-VCYXJBJXSA-N 2 1 370.928 4.142 20 0 FIADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435395789 1089602513 /nfs/dbraw/zinc/60/25/13/1089602513.db2.gz SBODGJKAKZVAEQ-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435395789 1089602522 /nfs/dbraw/zinc/60/25/22/1089602522.db2.gz SBODGJKAKZVAEQ-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP CC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435629936 1089817122 /nfs/dbraw/zinc/81/71/22/1089817122.db2.gz VUHWWVJXWXBTLX-FQEVSTJZSA-N 2 1 365.521 4.146 20 0 FIADMP Cc1ncsc1C[N@@H+](Cc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000435738583 1089918760 /nfs/dbraw/zinc/91/87/60/1089918760.db2.gz STJBVEVERWEYGW-KRWDZBQOSA-N 2 1 351.519 4.216 20 0 FIADMP Cc1ncsc1C[N@H+](Cc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000435738583 1089918763 /nfs/dbraw/zinc/91/87/63/1089918763.db2.gz STJBVEVERWEYGW-KRWDZBQOSA-N 2 1 351.519 4.216 20 0 FIADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000435745649 1089921811 /nfs/dbraw/zinc/92/18/11/1089921811.db2.gz OVPBNYGBQIVAIM-QHCPKHFHSA-N 2 1 355.570 4.038 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3N3CCCCC3)CC2)cc1 ZINC000236668820 1090238508 /nfs/dbraw/zinc/23/85/08/1090238508.db2.gz GEVMSUPYYWEVFT-UHFFFAOYSA-N 2 1 363.549 4.431 20 0 FIADMP COCC[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549421566 1090318181 /nfs/dbraw/zinc/31/81/81/1090318181.db2.gz ROBDRBHKHNGFOY-BUHWKMJWSA-N 2 1 350.934 4.269 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3C[C@H]3c3cccs3)CC2)oc1C ZINC000417302684 1090791653 /nfs/dbraw/zinc/79/16/53/1090791653.db2.gz CSENBRZPDFMQFF-ZYSHUDEJSA-N 2 1 373.566 4.347 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000500073470 1091023112 /nfs/dbraw/zinc/02/31/12/1091023112.db2.gz JRNYTHYOTDIRGO-NRFANRHFSA-N 2 1 357.586 4.266 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000236866726 1091083788 /nfs/dbraw/zinc/08/37/88/1091083788.db2.gz CDABRZRYPBVSCC-RXVVDRJESA-N 2 1 356.510 4.173 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000236866726 1091083794 /nfs/dbraw/zinc/08/37/94/1091083794.db2.gz CDABRZRYPBVSCC-RXVVDRJESA-N 2 1 356.510 4.173 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001167753357 1091171330 /nfs/dbraw/zinc/17/13/30/1091171330.db2.gz HKKGACOCGWDMRG-VLCRHTCISA-N 2 1 359.558 4.150 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556037 1091249084 /nfs/dbraw/zinc/24/90/84/1091249084.db2.gz LJVHSRNKZAARIU-QFIPXVFZSA-N 2 1 365.521 4.035 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556037 1091249089 /nfs/dbraw/zinc/24/90/89/1091249089.db2.gz LJVHSRNKZAARIU-QFIPXVFZSA-N 2 1 365.521 4.035 20 0 FIADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635340 1091341997 /nfs/dbraw/zinc/34/19/97/1091341997.db2.gz JUSUSPBXZAEDSQ-QFIPXVFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c(OC)c1 ZINC000390635340 1091342006 /nfs/dbraw/zinc/34/20/06/1091342006.db2.gz JUSUSPBXZAEDSQ-QFIPXVFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000390684156 1091398737 /nfs/dbraw/zinc/39/87/37/1091398737.db2.gz XDTIIZFCUOXCEY-NRFANRHFSA-N 2 1 356.485 4.225 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000390684156 1091398751 /nfs/dbraw/zinc/39/87/51/1091398751.db2.gz XDTIIZFCUOXCEY-NRFANRHFSA-N 2 1 356.485 4.225 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cccc5cccnc54)C3)C2)cc1 ZINC000512237841 1091944010 /nfs/dbraw/zinc/94/40/10/1091944010.db2.gz WTPYPGUPFMGXJI-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cccc5cccnc54)C3)C2)cc1 ZINC000512237841 1091944015 /nfs/dbraw/zinc/94/40/15/1091944015.db2.gz WTPYPGUPFMGXJI-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cccc5cccnc54)C3)C2)cc1 ZINC000512237841 1091944019 /nfs/dbraw/zinc/94/40/19/1091944019.db2.gz WTPYPGUPFMGXJI-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP COc1cccc([C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235738 1091945161 /nfs/dbraw/zinc/94/51/61/1091945161.db2.gz CVNPQRCSNPLVNW-XXBNENTESA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@@H](C)[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235738 1091945162 /nfs/dbraw/zinc/94/51/62/1091945162.db2.gz CVNPQRCSNPLVNW-XXBNENTESA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@@H](C)[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235738 1091945165 /nfs/dbraw/zinc/94/51/65/1091945165.db2.gz CVNPQRCSNPLVNW-XXBNENTESA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235738 1091945169 /nfs/dbraw/zinc/94/51/69/1091945169.db2.gz CVNPQRCSNPLVNW-XXBNENTESA-N 2 1 350.506 4.354 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000512365266 1092164000 /nfs/dbraw/zinc/16/40/00/1092164000.db2.gz VJCDRRFVDWBDLG-UHFFFAOYSA-N 2 1 355.617 4.340 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012183 1092345820 /nfs/dbraw/zinc/34/58/20/1092345820.db2.gz XOPDXFYFDRLVNU-IRJINJETSA-N 3 1 365.565 4.279 20 0 FIADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012183 1092345828 /nfs/dbraw/zinc/34/58/28/1092345828.db2.gz XOPDXFYFDRLVNU-IRJINJETSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012183 1092345835 /nfs/dbraw/zinc/34/58/35/1092345835.db2.gz XOPDXFYFDRLVNU-IRJINJETSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012183 1092345849 /nfs/dbraw/zinc/34/58/49/1092345849.db2.gz XOPDXFYFDRLVNU-IRJINJETSA-N 2 1 365.565 4.279 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000665271635 1092420598 /nfs/dbraw/zinc/42/05/98/1092420598.db2.gz PMMPUFPVFVSJGG-LSUHJGNXSA-N 2 1 361.533 4.146 20 0 FIADMP COc1ccc([C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665273985 1092441028 /nfs/dbraw/zinc/44/10/28/1092441028.db2.gz HERWSIPNRLTERM-PZZKWDHKSA-N 2 1 350.453 4.046 20 0 FIADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000428248509 1092573961 /nfs/dbraw/zinc/57/39/61/1092573961.db2.gz LXAAIIDQNFNGDM-CEWLAPEOSA-N 2 1 355.551 4.232 20 0 FIADMP COc1c(F)cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001143533475 1092700881 /nfs/dbraw/zinc/70/08/81/1092700881.db2.gz CIGIWDCLJQWVRQ-VQTJNVASSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001143533475 1092700893 /nfs/dbraw/zinc/70/08/93/1092700893.db2.gz CIGIWDCLJQWVRQ-VQTJNVASSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001143533475 1092700905 /nfs/dbraw/zinc/70/09/05/1092700905.db2.gz CIGIWDCLJQWVRQ-VQTJNVASSA-N 2 1 368.496 4.178 20 0 FIADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514024 1092734458 /nfs/dbraw/zinc/73/44/58/1092734458.db2.gz FVPDYZSUHKLJOK-QAPCUYQASA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514024 1092734465 /nfs/dbraw/zinc/73/44/65/1092734465.db2.gz FVPDYZSUHKLJOK-QAPCUYQASA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514024 1092734466 /nfs/dbraw/zinc/73/44/66/1092734466.db2.gz FVPDYZSUHKLJOK-QAPCUYQASA-N 2 1 361.942 4.380 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776143 1092757288 /nfs/dbraw/zinc/75/72/88/1092757288.db2.gz GUAMTOXNGFHNER-IRXDYDNUSA-N 2 1 365.546 4.198 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776143 1092757294 /nfs/dbraw/zinc/75/72/94/1092757294.db2.gz GUAMTOXNGFHNER-IRXDYDNUSA-N 2 1 365.546 4.198 20 0 FIADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1(C)C ZINC000442872947 1092820749 /nfs/dbraw/zinc/82/07/49/1092820749.db2.gz OGQYYCMMMGIAPL-FQEVSTJZSA-N 2 1 357.542 4.136 20 0 FIADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442873285 1092820879 /nfs/dbraw/zinc/82/08/79/1092820879.db2.gz KFFOPCSKOMERAG-KRWDZBQOSA-N 2 1 358.357 4.060 20 0 FIADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000549818003 1092844385 /nfs/dbraw/zinc/84/43/85/1092844385.db2.gz KTUNHNHTOCXRII-NNWRFLSQSA-N 2 1 372.553 4.000 20 0 FIADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(-c2ccccc2)c1 ZINC000442894472 1092848501 /nfs/dbraw/zinc/84/85/01/1092848501.db2.gz ZOBRGLNIPRBFEU-IBGZPJMESA-N 2 1 351.538 4.030 20 0 FIADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000245687131 1092948630 /nfs/dbraw/zinc/94/86/30/1092948630.db2.gz JSNSZOWWXUAFAC-YUMYIRISSA-N 2 1 370.924 4.159 20 0 FIADMP CCN(CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)CCC(F)(F)F ZINC000521941902 1092989980 /nfs/dbraw/zinc/98/99/80/1092989980.db2.gz OVTWYESVUSBXQV-HNNXBMFYSA-N 2 1 368.447 4.106 20 0 FIADMP CC(C)c1noc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433055800 1093157811 /nfs/dbraw/zinc/15/78/11/1093157811.db2.gz ZPLRRCKCQJXWJA-GOSISDBHSA-N 2 1 368.525 4.242 20 0 FIADMP CC(C)c1noc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433055800 1093157818 /nfs/dbraw/zinc/15/78/18/1093157818.db2.gz ZPLRRCKCQJXWJA-GOSISDBHSA-N 2 1 368.525 4.242 20 0 FIADMP C[C@@H]1CC([NH2+][C@@H]2c3ccccc3CC[C@@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018341 1093167494 /nfs/dbraw/zinc/16/74/94/1093167494.db2.gz CYYPDJYBYMFDCZ-ADCHYERDSA-N 2 1 364.533 4.066 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021544 1093242298 /nfs/dbraw/zinc/24/22/98/1093242298.db2.gz PWZKNZHCIZDPNG-YDLSIGKMSA-N 2 1 358.570 4.349 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021967 1093260697 /nfs/dbraw/zinc/26/06/97/1093260697.db2.gz RQSFYNODOZLZBX-BXYJTDFISA-N 2 1 374.475 4.029 20 0 FIADMP CCc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000433127949 1093312368 /nfs/dbraw/zinc/31/23/68/1093312368.db2.gz KDBWTHFPFJPUDN-UHFFFAOYSA-N 2 1 353.510 4.034 20 0 FIADMP C[C@H]1CC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022648 1093312985 /nfs/dbraw/zinc/31/29/85/1093312985.db2.gz AVOOOVGUTFYMBP-KCRBMJMASA-N 2 1 355.570 4.033 20 0 FIADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512772586 1093316629 /nfs/dbraw/zinc/31/66/29/1093316629.db2.gz CDJPORCYRWCUKK-UZLBHIALSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512772586 1093316637 /nfs/dbraw/zinc/31/66/37/1093316637.db2.gz CDJPORCYRWCUKK-UZLBHIALSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000512772586 1093316642 /nfs/dbraw/zinc/31/66/42/1093316642.db2.gz CDJPORCYRWCUKK-UZLBHIALSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000512772586 1093316646 /nfs/dbraw/zinc/31/66/46/1093316646.db2.gz CDJPORCYRWCUKK-UZLBHIALSA-N 2 1 355.913 4.337 20 0 FIADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882856 1093398968 /nfs/dbraw/zinc/39/89/68/1093398968.db2.gz HDYVLYJEJLICFR-HSZRJFAPSA-N 2 1 364.533 4.013 20 0 FIADMP CC(C)n1ncc2cc(CN3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cnc21 ZINC000113934823 1093515705 /nfs/dbraw/zinc/51/57/05/1093515705.db2.gz YNPGLJAHBBXFRH-RTBURBONSA-N 2 1 369.557 4.099 20 0 FIADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000433319451 1093579598 /nfs/dbraw/zinc/57/95/98/1093579598.db2.gz OLPNWPQBTMBRAR-QFIPXVFZSA-N 2 1 369.553 4.061 20 0 FIADMP COc1ccc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C[NH3+] ZINC001168031704 1093651509 /nfs/dbraw/zinc/65/15/09/1093651509.db2.gz BJZXSJNWPXEIQW-UPHUGPLXSA-N 2 1 353.510 4.007 20 0 FIADMP CC(C)[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000513007965 1093659780 /nfs/dbraw/zinc/65/97/80/1093659780.db2.gz ZJPCMHVCAQAVJP-QGZVFWFLSA-N 2 1 351.947 4.388 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433396337 1093667965 /nfs/dbraw/zinc/66/79/65/1093667965.db2.gz WCWKZSFXGHHGEY-IEBWSBKVSA-N 2 1 366.521 4.155 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433396337 1093667969 /nfs/dbraw/zinc/66/79/69/1093667969.db2.gz WCWKZSFXGHHGEY-IEBWSBKVSA-N 2 1 366.521 4.155 20 0 FIADMP C[C@H]1CC(N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032980 1093681546 /nfs/dbraw/zinc/68/15/46/1093681546.db2.gz JHHOUJFWGZETEP-IRFCIJBXSA-N 2 1 355.570 4.035 20 0 FIADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000474485603 1093832949 /nfs/dbraw/zinc/83/29/49/1093832949.db2.gz QQUWUFPOLFEAPW-RTBURBONSA-N 2 1 354.542 4.232 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3nccnc23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036239 1093848497 /nfs/dbraw/zinc/84/84/97/1093848497.db2.gz VGZCHOCJDFQIIM-RMFSNUHRSA-N 2 1 360.505 4.161 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513214223 1094010244 /nfs/dbraw/zinc/01/02/44/1094010244.db2.gz XVATWTCSLMTTJK-ZDFPQIBNSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513214223 1094010252 /nfs/dbraw/zinc/01/02/52/1094010252.db2.gz XVATWTCSLMTTJK-ZDFPQIBNSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221867 1094018790 /nfs/dbraw/zinc/01/87/90/1094018790.db2.gz FIDILZLDNQIPQG-UEVCKROQSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221867 1094018797 /nfs/dbraw/zinc/01/87/97/1094018797.db2.gz FIDILZLDNQIPQG-UEVCKROQSA-N 2 1 352.522 4.143 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513346168 1094077908 /nfs/dbraw/zinc/07/79/08/1094077908.db2.gz RJLDXCIUHPZDIX-NMIHRBCNSA-N 2 1 352.526 4.010 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513346168 1094077914 /nfs/dbraw/zinc/07/79/14/1094077914.db2.gz RJLDXCIUHPZDIX-NMIHRBCNSA-N 2 1 352.526 4.010 20 0 FIADMP C[C@@H](CCN[C@@H](Cc1ccccn1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000513364184 1094080761 /nfs/dbraw/zinc/08/07/61/1094080761.db2.gz GYTAHINGDZCCEB-RDPSFJRHSA-N 2 1 374.532 4.261 20 0 FIADMP C[C@@H](CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000513364184 1094080765 /nfs/dbraw/zinc/08/07/65/1094080765.db2.gz GYTAHINGDZCCEB-RDPSFJRHSA-N 2 1 374.532 4.261 20 0 FIADMP COCc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513498948 1094172145 /nfs/dbraw/zinc/17/21/45/1094172145.db2.gz CTWRQCDPIKBCIH-XXBNENTESA-N 2 1 352.522 4.223 20 0 FIADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513679422 1094264380 /nfs/dbraw/zinc/26/43/80/1094264380.db2.gz WZYLSPHOLSKMCZ-FUBOCBINSA-N 2 1 356.554 4.082 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000474735204 1094548625 /nfs/dbraw/zinc/54/86/25/1094548625.db2.gz WTYKWXZPCSVLAR-RZUBCFFCSA-N 2 1 366.549 4.341 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000474803376 1094639700 /nfs/dbraw/zinc/63/97/00/1094639700.db2.gz AWEDVZMFGNEJLJ-WSATVANYSA-N 2 1 372.553 4.141 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000474803376 1094639710 /nfs/dbraw/zinc/63/97/10/1094639710.db2.gz AWEDVZMFGNEJLJ-WSATVANYSA-N 2 1 372.553 4.141 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501425094 1094704740 /nfs/dbraw/zinc/70/47/40/1094704740.db2.gz NWVKXTFUFYTNHC-UHFFFAOYSA-N 2 1 355.432 4.282 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501645162 1094837408 /nfs/dbraw/zinc/83/74/08/1094837408.db2.gz HTOBHAVFWXCMGR-UHFFFAOYSA-N 2 1 373.585 4.113 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000474876634 1094838196 /nfs/dbraw/zinc/83/81/96/1094838196.db2.gz DPIRSMLFCTXFEJ-CEXWTWQISA-N 2 1 362.558 4.153 20 0 FIADMP COc1ccc2c(c1)[C@H]([N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)CCO2 ZINC000420296736 1094855189 /nfs/dbraw/zinc/85/51/89/1094855189.db2.gz DRJNZFNXULHETF-PGRDOPGGSA-N 2 1 366.505 4.021 20 0 FIADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420322950 1094869111 /nfs/dbraw/zinc/86/91/11/1094869111.db2.gz SWVZTAMKFJHUGK-CQSZACIVSA-N 2 1 372.340 4.034 20 0 FIADMP CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000420318070 1094881032 /nfs/dbraw/zinc/88/10/32/1094881032.db2.gz VOIAKVPGLDILRF-IBGZPJMESA-N 2 1 358.917 4.069 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000420375813 1094912811 /nfs/dbraw/zinc/91/28/11/1094912811.db2.gz PTMOYOUFJJZWOH-CRAIPNDOSA-N 2 1 370.390 4.160 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000420376659 1094912840 /nfs/dbraw/zinc/91/28/40/1094912840.db2.gz QYENFPPUXNTWMA-DOTOQJQBSA-N 2 1 361.555 4.319 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000420376667 1094913291 /nfs/dbraw/zinc/91/32/91/1094913291.db2.gz QYENFPPUXNTWMA-RDJZCZTQSA-N 2 1 361.555 4.319 20 0 FIADMP CC(C)O[C@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000428306980 1095048566 /nfs/dbraw/zinc/04/85/66/1095048566.db2.gz RFNKCXQYRWUZTO-HSZRJFAPSA-N 2 1 367.537 4.396 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000502254651 1095272993 /nfs/dbraw/zinc/27/29/93/1095272993.db2.gz NVPPJGPGUNJRRB-DENIHFKCSA-N 2 1 356.554 4.500 20 0 FIADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000502282634 1095304847 /nfs/dbraw/zinc/30/48/47/1095304847.db2.gz OJYBICSKGRBHDW-IEBWSBKVSA-N 2 1 362.558 4.045 20 0 FIADMP COc1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502321532 1095348179 /nfs/dbraw/zinc/34/81/79/1095348179.db2.gz OGTIGRDWXZIRAW-INIZCTEOSA-N 2 1 365.477 4.354 20 0 FIADMP COc1ccc2oc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502321532 1095348190 /nfs/dbraw/zinc/34/81/90/1095348190.db2.gz OGTIGRDWXZIRAW-INIZCTEOSA-N 2 1 365.477 4.354 20 0 FIADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502327430 1095384979 /nfs/dbraw/zinc/38/49/79/1095384979.db2.gz RWLLYCRDMZMSOJ-HNNXBMFYSA-N 2 1 359.901 4.261 20 0 FIADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000502453303 1095473963 /nfs/dbraw/zinc/47/39/63/1095473963.db2.gz PCLOEDOWMSGZCC-PGRDOPGGSA-N 2 1 356.510 4.206 20 0 FIADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000421846239 1095968600 /nfs/dbraw/zinc/96/86/00/1095968600.db2.gz SCXWXUJSQIMQNZ-MRXNPFEDSA-N 2 1 368.924 4.035 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074295 1096051702 /nfs/dbraw/zinc/05/17/02/1096051702.db2.gz QJOPOUFOBPDRHL-QUCCMNQESA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074295 1096051711 /nfs/dbraw/zinc/05/17/11/1096051711.db2.gz QJOPOUFOBPDRHL-QUCCMNQESA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074295 1096051721 /nfs/dbraw/zinc/05/17/21/1096051721.db2.gz QJOPOUFOBPDRHL-QUCCMNQESA-N 2 1 374.573 4.246 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161335 1096101002 /nfs/dbraw/zinc/10/10/02/1096101002.db2.gz SKQOHEGWJGUGMT-XMSQKQJNSA-N 2 1 365.521 4.302 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161335 1096101004 /nfs/dbraw/zinc/10/10/04/1096101004.db2.gz SKQOHEGWJGUGMT-XMSQKQJNSA-N 2 1 365.521 4.302 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000271824663 1096130282 /nfs/dbraw/zinc/13/02/82/1096130282.db2.gz PPVBDYJRJCQOJJ-LAUBAEHRSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000271824663 1096130287 /nfs/dbraw/zinc/13/02/87/1096130287.db2.gz PPVBDYJRJCQOJJ-LAUBAEHRSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccsc2S1 ZINC000272774855 1096211368 /nfs/dbraw/zinc/21/13/68/1096211368.db2.gz UETWOXFXJOGREN-FNHZYXHNSA-N 2 1 374.575 4.030 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422693216 1096462946 /nfs/dbraw/zinc/46/29/46/1096462946.db2.gz LHZXIXUHINZGMQ-HKUYNNGSSA-N 2 1 369.509 4.140 20 0 FIADMP COc1ccc(C2(C[NH2+][C@@H](C)c3c[nH+]ccc3N)CCCCC2)cc1OC ZINC000422728260 1096464068 /nfs/dbraw/zinc/46/40/68/1096464068.db2.gz IYMCVXGMWHJBGK-INIZCTEOSA-N 2 1 369.509 4.064 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000422760724 1096475784 /nfs/dbraw/zinc/47/57/84/1096475784.db2.gz LFLUPUXOKWAHJG-MSOLQXFVSA-N 2 1 366.553 4.163 20 0 FIADMP c1ccc([C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccn2)cc1 ZINC000422763530 1096492178 /nfs/dbraw/zinc/49/21/78/1096492178.db2.gz OUSCXBVQMRUANK-NHTMILBNSA-N 2 1 371.484 4.017 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422830014 1096500470 /nfs/dbraw/zinc/50/04/70/1096500470.db2.gz QMLLAJQLUXZKOP-GOSISDBHSA-N 2 1 366.553 4.076 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)cc1 ZINC000422886279 1096513186 /nfs/dbraw/zinc/51/31/86/1096513186.db2.gz IRNMASFDOKZXPK-YPAWHYETSA-N 2 1 369.484 4.413 20 0 FIADMP CC1CC[NH+](CCc2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000503663794 1096513789 /nfs/dbraw/zinc/51/37/89/1096513789.db2.gz QRFRTOXHPGTGSX-JOCHJYFZSA-N 2 1 371.569 4.164 20 0 FIADMP C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000414704266 1096525683 /nfs/dbraw/zinc/52/56/83/1096525683.db2.gz DGFJNNHFVNNSNW-YLJYHZDGSA-N 2 1 372.557 4.042 20 0 FIADMP C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000414704264 1096526421 /nfs/dbraw/zinc/52/64/21/1096526421.db2.gz DGFJNNHFVNNSNW-PXNSSMCTSA-N 2 1 372.557 4.042 20 0 FIADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414708126 1096537253 /nfs/dbraw/zinc/53/72/53/1096537253.db2.gz ILYKBNOUTQSALM-HXUWFJFHSA-N 2 1 374.573 4.288 20 0 FIADMP C[C@H]([NH3+])C1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000414710600 1096545426 /nfs/dbraw/zinc/54/54/26/1096545426.db2.gz LOGNNJXCFCYDFU-KRWDZBQOSA-N 2 1 372.557 4.042 20 0 FIADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423106072 1096583787 /nfs/dbraw/zinc/58/37/87/1096583787.db2.gz OEUDJTHNNIOJMK-USCONSEESA-N 2 1 372.940 4.356 20 0 FIADMP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423227905 1096624719 /nfs/dbraw/zinc/62/47/19/1096624719.db2.gz XLWMLDVRCFBWJC-SJCJKPOMSA-N 2 1 351.263 4.005 20 0 FIADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1ccc(Cl)cc1 ZINC000423296002 1096644813 /nfs/dbraw/zinc/64/48/13/1096644813.db2.gz YESRGHQIJIRFGM-KGLIPLIRSA-N 2 1 369.900 4.100 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc2cc(Br)ccc2o1 ZINC000423334255 1096650089 /nfs/dbraw/zinc/65/00/89/1096650089.db2.gz ICHKQWKTVZTSEK-SJCJKPOMSA-N 2 1 351.288 4.236 20 0 FIADMP Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359217 1096656183 /nfs/dbraw/zinc/65/61/83/1096656183.db2.gz URWVPXAZXNVRFL-JTOYRKQZSA-N 2 1 361.533 4.431 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423405213 1096673477 /nfs/dbraw/zinc/67/34/77/1096673477.db2.gz ZRMINWXMMVJXDL-TYNCELHUSA-N 2 1 367.324 4.279 20 0 FIADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423481092 1096698744 /nfs/dbraw/zinc/69/87/44/1096698744.db2.gz PSCRZEHHGZZSLP-RXVVDRJESA-N 2 1 367.443 4.159 20 0 FIADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ncc(Br)s1 ZINC000423508347 1096703364 /nfs/dbraw/zinc/70/33/64/1096703364.db2.gz QPUJMQSXUZPTCM-AAEUAGOBSA-N 2 1 354.317 4.036 20 0 FIADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423495040 1096708195 /nfs/dbraw/zinc/70/81/95/1096708195.db2.gz BLIWTZSOCJKAGQ-PIATZUFCSA-N 2 1 363.549 4.034 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccccc2Cl)s1 ZINC000423512605 1096709821 /nfs/dbraw/zinc/70/98/21/1096709821.db2.gz KUZSEGKCARKLLC-KBPBESRZSA-N 2 1 350.915 4.098 20 0 FIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000435926983 1098565636 /nfs/dbraw/zinc/56/56/36/1098565636.db2.gz AYOKJKGVTCQHBC-UHFFFAOYSA-N 2 1 362.521 4.306 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000435926983 1098565647 /nfs/dbraw/zinc/56/56/47/1098565647.db2.gz AYOKJKGVTCQHBC-UHFFFAOYSA-N 2 1 362.521 4.306 20 0 FIADMP COc1ccccc1-c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414876671 1098653361 /nfs/dbraw/zinc/65/33/61/1098653361.db2.gz KTKFQWIIYSZNPX-UHFFFAOYSA-N 2 1 361.489 4.027 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000533019996 1098695127 /nfs/dbraw/zinc/69/51/27/1098695127.db2.gz HZRZHSFFZNDJTE-GOSISDBHSA-N 2 1 354.542 4.050 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000533019996 1098695132 /nfs/dbraw/zinc/69/51/32/1098695132.db2.gz HZRZHSFFZNDJTE-GOSISDBHSA-N 2 1 354.542 4.050 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)CCCC2)CC1 ZINC000436252261 1098866638 /nfs/dbraw/zinc/86/66/38/1098866638.db2.gz LCQACTFBICXWCV-LEWJYISDSA-N 2 1 356.554 4.336 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000467342083 1098870238 /nfs/dbraw/zinc/87/02/38/1098870238.db2.gz ICVBMRBNOJKCQF-QFIPXVFZSA-N 2 1 353.485 4.234 20 0 FIADMP C[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436403977 1098992946 /nfs/dbraw/zinc/99/29/46/1098992946.db2.gz AUWJAMPAECOLIU-WMZOPIPTSA-N 2 1 351.469 4.307 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000437090282 1099594233 /nfs/dbraw/zinc/59/42/33/1099594233.db2.gz AGSNXTKBMJPFAI-IZBOUPIGSA-N 2 1 358.570 4.124 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3C)CC1)CCC2 ZINC000162154008 1099639733 /nfs/dbraw/zinc/63/97/33/1099639733.db2.gz MGMZMWNRTQGZAR-HXUWFJFHSA-N 2 1 355.551 4.392 20 0 FIADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000516620386 1099661342 /nfs/dbraw/zinc/66/13/42/1099661342.db2.gz KIKCWIASHAENLH-KGWSWXIGSA-N 2 1 356.554 4.365 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CCSc4ccc(F)cc43)CC2)nc(C)[nH+]1 ZINC000162222575 1099663735 /nfs/dbraw/zinc/66/37/35/1099663735.db2.gz FRQJUOVLXLLUCQ-SFHVURJKSA-N 2 1 372.513 4.028 20 0 FIADMP CCC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(OC)cc1 ZINC000162233305 1099664873 /nfs/dbraw/zinc/66/48/73/1099664873.db2.gz FIJLUQMOBQBGTC-OAQYLSRUSA-N 2 1 368.525 4.202 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OC(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000162289079 1099678783 /nfs/dbraw/zinc/67/87/83/1099678783.db2.gz MEVMJEWOTMZPNY-KRWDZBQOSA-N 2 1 368.525 4.200 20 0 FIADMP C[C@@H]([NH2+]CCc1nc2ccccc2s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691805 1099824977 /nfs/dbraw/zinc/82/49/77/1099824977.db2.gz QEPKUATUQSQHRB-MJGOQNOKSA-N 2 1 365.546 4.339 20 0 FIADMP C[C@H]([NH2+][C@H](CCCO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713923 1099885415 /nfs/dbraw/zinc/88/54/15/1099885415.db2.gz GOOBVPBIKZZVJD-WWPVKYPJSA-N 2 1 352.522 4.000 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711300 1099900909 /nfs/dbraw/zinc/90/09/09/1099900909.db2.gz AIUARZHYIXHIRP-UGKGYDQZSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719420 1099908924 /nfs/dbraw/zinc/90/89/24/1099908924.db2.gz PMBGZVHOMMMZBP-HKUYNNGSSA-N 2 1 371.594 4.483 20 0 FIADMP Cc1cc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)c(C)o1 ZINC000162624549 1099920277 /nfs/dbraw/zinc/92/02/77/1099920277.db2.gz QUSKCNFSSAKJDV-UHFFFAOYSA-N 2 1 372.513 4.034 20 0 FIADMP C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721377 1099937386 /nfs/dbraw/zinc/93/73/86/1099937386.db2.gz PGLIQDTZLOHXOY-TZIWHRDSSA-N 2 1 370.512 4.485 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723167 1099943745 /nfs/dbraw/zinc/94/37/45/1099943745.db2.gz VHPAPWKLYIFFAW-ACIOBRDBSA-N 2 1 363.549 4.013 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C)cc(C)c3)CC2)oc1C ZINC000162719566 1099972697 /nfs/dbraw/zinc/97/26/97/1099972697.db2.gz CWSSTTWUXJVHIJ-GOSISDBHSA-N 2 1 355.526 4.471 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4c3cccc4C)CC2)oc1C ZINC000162730829 1099975939 /nfs/dbraw/zinc/97/59/39/1099975939.db2.gz ORBPYYMPDARBGS-NRFANRHFSA-N 2 1 353.510 4.089 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4ccccc4C[C@@H]3C)CC2)oc1C ZINC000162744255 1099980899 /nfs/dbraw/zinc/98/08/99/1099980899.db2.gz LQRKXWDPPGQELL-OYHNWAKOSA-N 2 1 353.510 4.027 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4sccc43)CC2)oc1C ZINC000162767184 1099996091 /nfs/dbraw/zinc/99/60/91/1099996091.db2.gz YBWXSJYZENPNGG-SFHVURJKSA-N 2 1 359.539 4.232 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290701703 1100123440 /nfs/dbraw/zinc/12/34/40/1100123440.db2.gz NKGZCMZJXSKUMC-LZWOXQAQSA-N 2 1 366.347 4.148 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000290701703 1100123460 /nfs/dbraw/zinc/12/34/60/1100123460.db2.gz NKGZCMZJXSKUMC-LZWOXQAQSA-N 2 1 366.347 4.148 20 0 FIADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440425 1100175422 /nfs/dbraw/zinc/17/54/22/1100175422.db2.gz USMPOKPKQUUGBA-OXJNMPFZSA-N 2 1 360.523 4.025 20 0 FIADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440425 1100175430 /nfs/dbraw/zinc/17/54/30/1100175430.db2.gz USMPOKPKQUUGBA-OXJNMPFZSA-N 2 1 360.523 4.025 20 0 FIADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(C(F)(F)F)cc1 ZINC000425897625 1100196350 /nfs/dbraw/zinc/19/63/50/1100196350.db2.gz VJISZONSVJUEEQ-LBPRGKRZSA-N 2 1 353.388 4.011 20 0 FIADMP c1nnsc1C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459516943 1100255022 /nfs/dbraw/zinc/25/50/22/1100255022.db2.gz DZHGLBTUUOTLOJ-OAQYLSRUSA-N 2 1 370.566 4.195 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@H]4CC[N@@H+](C)C[C@H]4C)cc3)ccc2O1 ZINC000536838074 1100349710 /nfs/dbraw/zinc/34/97/10/1100349710.db2.gz GNOJDLTZNSUSCX-YVHKJVDXSA-N 2 1 350.506 4.107 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000536831715 1100369838 /nfs/dbraw/zinc/36/98/38/1100369838.db2.gz IWQUORBOCHSAPT-RTBURBONSA-N 2 1 374.573 4.235 20 0 FIADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000536857374 1100373407 /nfs/dbraw/zinc/37/34/07/1100373407.db2.gz KRHDUQSVVQIWON-LJQANCHMSA-N 2 1 367.537 4.342 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536858609 1100375168 /nfs/dbraw/zinc/37/51/68/1100375168.db2.gz QZTWFYIBZIMBPR-KSZLIROESA-N 2 1 350.572 4.339 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000425951569 1100446169 /nfs/dbraw/zinc/44/61/69/1100446169.db2.gz QCXJNKYFOYGXPS-NJYVYQBISA-N 2 1 355.913 4.235 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CCCCOc3ccccc3)C2)c1 ZINC000438203638 1100496966 /nfs/dbraw/zinc/49/69/66/1100496966.db2.gz STSKGJVGOBWKDY-LJQANCHMSA-N 2 1 358.551 4.409 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CCCCOc3ccccc3)C2)c1 ZINC000438203638 1100496976 /nfs/dbraw/zinc/49/69/76/1100496976.db2.gz STSKGJVGOBWKDY-LJQANCHMSA-N 2 1 358.551 4.409 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000517571615 1100506823 /nfs/dbraw/zinc/50/68/23/1100506823.db2.gz ZDMOUPQDAGUYSO-PXNSSMCTSA-N 2 1 357.542 4.297 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426022353 1100676736 /nfs/dbraw/zinc/67/67/36/1100676736.db2.gz NGBUQOWFMIPSDA-NYVOZVTQSA-N 2 1 364.533 4.053 20 0 FIADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)[C@H](C)c1cccc(O)c1 ZINC000509547059 1100934632 /nfs/dbraw/zinc/93/46/32/1100934632.db2.gz WVWGGDBOIKOAPL-LJQANCHMSA-N 2 1 367.537 4.117 20 0 FIADMP Cc1nc(C)c(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000438828354 1100949711 /nfs/dbraw/zinc/94/97/11/1100949711.db2.gz WQPBFMFIFKMVCF-UHFFFAOYSA-N 2 1 357.567 4.335 20 0 FIADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152746 1100950385 /nfs/dbraw/zinc/95/03/85/1100950385.db2.gz WQSMCTMZHMTGGT-VQIMIIECSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152746 1100950388 /nfs/dbraw/zinc/95/03/88/1100950388.db2.gz WQSMCTMZHMTGGT-VQIMIIECSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152746 1100950394 /nfs/dbraw/zinc/95/03/94/1100950394.db2.gz WQSMCTMZHMTGGT-VQIMIIECSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1cccs1 ZINC000518152746 1100950398 /nfs/dbraw/zinc/95/03/98/1100950398.db2.gz WQSMCTMZHMTGGT-VQIMIIECSA-N 2 1 374.550 4.108 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426299245 1101225891 /nfs/dbraw/zinc/22/58/91/1101225891.db2.gz UDQCEXYBTLGVPF-PCCBWWKXSA-N 2 1 367.537 4.326 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426299245 1101225900 /nfs/dbraw/zinc/22/59/00/1101225900.db2.gz UDQCEXYBTLGVPF-PCCBWWKXSA-N 2 1 367.537 4.326 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)[C@@H](C)C1 ZINC000470109148 1101316802 /nfs/dbraw/zinc/31/68/02/1101316802.db2.gz IFYAGSPCULNNAR-CVDCTZTESA-N 2 1 352.522 4.223 20 0 FIADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000459729282 1101347396 /nfs/dbraw/zinc/34/73/96/1101347396.db2.gz IXWZJJJTZLWOCA-GOSISDBHSA-N 2 1 368.521 4.192 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1O ZINC000426354251 1101350441 /nfs/dbraw/zinc/35/04/41/1101350441.db2.gz YQTLQYPBWXTSJL-SFHVURJKSA-N 2 1 370.537 4.352 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000426355032 1101352280 /nfs/dbraw/zinc/35/22/80/1101352280.db2.gz XKWGKCOEHUQONI-TYYYZTEESA-N 2 1 370.562 4.251 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000536999689 1101385824 /nfs/dbraw/zinc/38/58/24/1101385824.db2.gz XZEFXYDECANITE-WMZHIEFXSA-N 2 1 352.522 4.394 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000536999689 1101385837 /nfs/dbraw/zinc/38/58/37/1101385837.db2.gz XZEFXYDECANITE-WMZHIEFXSA-N 2 1 352.522 4.394 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000536998067 1101386612 /nfs/dbraw/zinc/38/66/12/1101386612.db2.gz DBGCSKMTFGTVAN-LJQANCHMSA-N 2 1 372.384 4.308 20 0 FIADMP Clc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000311011323 1101393593 /nfs/dbraw/zinc/39/35/93/1101393593.db2.gz PEYZZIPRZJXMML-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3cccc(-c4ccncc4)c3)C2)cc1 ZINC000439476547 1101477949 /nfs/dbraw/zinc/47/79/49/1101477949.db2.gz QWOPOOSIHVGWAL-HSZRJFAPSA-N 2 1 371.528 4.403 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000537164202 1101511042 /nfs/dbraw/zinc/51/10/42/1101511042.db2.gz IJHXNRDHIWMPFZ-FQEVSTJZSA-N 2 1 366.553 4.031 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000537164202 1101511053 /nfs/dbraw/zinc/51/10/53/1101511053.db2.gz IJHXNRDHIWMPFZ-FQEVSTJZSA-N 2 1 366.553 4.031 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000537309152 1101634571 /nfs/dbraw/zinc/63/45/71/1101634571.db2.gz SSPULXNDHKLECZ-RYGJVYDSSA-N 2 1 356.510 4.024 20 0 FIADMP Clc1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000648452085 1101729342 /nfs/dbraw/zinc/72/93/42/1101729342.db2.gz FOTSNJWDUCBSPK-DUXKGJEZSA-N 2 1 362.945 4.209 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000248759910 1101778608 /nfs/dbraw/zinc/77/86/08/1101778608.db2.gz LLKOHNFVDWQUSS-GGAORHGYSA-N 2 1 372.516 4.256 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000248759910 1101778615 /nfs/dbraw/zinc/77/86/15/1101778615.db2.gz LLKOHNFVDWQUSS-GGAORHGYSA-N 2 1 372.516 4.256 20 0 FIADMP Fc1ccccc1COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248771094 1101891602 /nfs/dbraw/zinc/89/16/02/1101891602.db2.gz QXFQTKUSFIJWAM-UXHICEINSA-N 2 1 354.469 4.121 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000519192336 1101987594 /nfs/dbraw/zinc/98/75/94/1101987594.db2.gz BPUJCUMYRFUFFR-CTNGQTDRSA-N 2 1 367.537 4.364 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000519192336 1101987597 /nfs/dbraw/zinc/98/75/97/1101987597.db2.gz BPUJCUMYRFUFFR-CTNGQTDRSA-N 2 1 367.537 4.364 20 0 FIADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189559 1101997374 /nfs/dbraw/zinc/99/73/74/1101997374.db2.gz DJYYZIVJQXDJFF-YMPZKCBVSA-N 2 1 370.581 4.474 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000519225112 1102021462 /nfs/dbraw/zinc/02/14/62/1102021462.db2.gz SSMDPNDFNXVWNC-LJQANCHMSA-N 2 1 359.558 4.074 20 0 FIADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440104590 1102032360 /nfs/dbraw/zinc/03/23/60/1102032360.db2.gz LCMFPEXMHQBSIJ-JOCHJYFZSA-N 2 1 369.553 4.061 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000519355078 1102141556 /nfs/dbraw/zinc/14/15/56/1102141556.db2.gz IMSRLUGQSHZZMK-OAHLLOKOSA-N 2 1 360.299 4.062 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897970033 1102151144 /nfs/dbraw/zinc/15/11/44/1102151144.db2.gz DMGNSTWDAONRAA-RTOLSTJOSA-N 2 1 354.538 4.292 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)C2)CO1 ZINC000897970033 1102151146 /nfs/dbraw/zinc/15/11/46/1102151146.db2.gz DMGNSTWDAONRAA-RTOLSTJOSA-N 2 1 354.538 4.292 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnc(C)s3)CC2)cs1 ZINC000090409233 1102270100 /nfs/dbraw/zinc/27/01/00/1102270100.db2.gz IHUFVYDNCGNSIW-CYBMUJFWSA-N 2 1 364.584 4.033 20 0 FIADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000532442268 1102328831 /nfs/dbraw/zinc/32/88/31/1102328831.db2.gz GLBKPHOHMWADFJ-FUHWJXTLSA-N 2 1 369.534 4.134 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000519540613 1102368227 /nfs/dbraw/zinc/36/82/27/1102368227.db2.gz LPIUDSLAYWCMMO-ZWKOTPCHSA-N 2 1 365.521 4.011 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550818434 1102393765 /nfs/dbraw/zinc/39/37/65/1102393765.db2.gz AEMKNMXZMGIISP-RBBKRZOGSA-N 2 1 350.506 4.152 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)c1 ZINC000550818434 1102393774 /nfs/dbraw/zinc/39/37/74/1102393774.db2.gz AEMKNMXZMGIISP-RBBKRZOGSA-N 2 1 350.506 4.152 20 0 FIADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)c(C)n2n1 ZINC000091735148 1102410524 /nfs/dbraw/zinc/41/05/24/1102410524.db2.gz SZVLRUNQJNIWGW-HOTGVXAUSA-N 2 1 374.492 4.252 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485522 1102427072 /nfs/dbraw/zinc/42/70/72/1102427072.db2.gz SQTLPMXQBGSCJD-TZIWHRDSSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485522 1102427079 /nfs/dbraw/zinc/42/70/79/1102427079.db2.gz SQTLPMXQBGSCJD-TZIWHRDSSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485522 1102427085 /nfs/dbraw/zinc/42/70/85/1102427085.db2.gz SQTLPMXQBGSCJD-TZIWHRDSSA-N 2 1 352.522 4.219 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000532525383 1102443576 /nfs/dbraw/zinc/44/35/76/1102443576.db2.gz VERIKLWOAFHMTE-IAGOWNOFSA-N 2 1 365.477 4.307 20 0 FIADMP CCO[C@H](C)c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000121767868 1102455289 /nfs/dbraw/zinc/45/52/89/1102455289.db2.gz CLEBCWZZTSGVOW-QGZVFWFLSA-N 2 1 365.587 4.329 20 0 FIADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000509664145 1102516894 /nfs/dbraw/zinc/51/68/94/1102516894.db2.gz GOWWYKXTKRKGGT-CAPFRKAQSA-N 2 1 364.533 4.491 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887728 1102658493 /nfs/dbraw/zinc/65/84/93/1102658493.db2.gz ZFQBEMGUCRXEAO-ICSRJNTNSA-N 2 1 370.562 4.328 20 0 FIADMP CN(c1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21)C1CC[NH+](C)CC1 ZINC000537649685 1102683753 /nfs/dbraw/zinc/68/37/53/1102683753.db2.gz VOCWBGUMCAFOHV-FGZHOGPDSA-N 2 1 373.610 4.077 20 0 FIADMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC001211924778 1102722118 /nfs/dbraw/zinc/72/21/18/1102722118.db2.gz ILZYKZPGSCRJJN-QPRVAFDKSA-N 2 1 366.509 4.014 20 0 FIADMP COc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC2)c1 ZINC001167979075 1102747340 /nfs/dbraw/zinc/74/73/40/1102747340.db2.gz UOYWSHLOOOMJGB-SEJPIABJSA-N 2 1 354.538 4.155 20 0 FIADMP CC[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661250 1102785712 /nfs/dbraw/zinc/78/57/12/1102785712.db2.gz NLFDKBFPMDBWHY-NRFANRHFSA-N 2 1 362.517 4.306 20 0 FIADMP CC[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661250 1102785725 /nfs/dbraw/zinc/78/57/25/1102785725.db2.gz NLFDKBFPMDBWHY-NRFANRHFSA-N 2 1 362.517 4.306 20 0 FIADMP CC[NH+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661250 1102785736 /nfs/dbraw/zinc/78/57/36/1102785736.db2.gz NLFDKBFPMDBWHY-NRFANRHFSA-N 2 1 362.517 4.306 20 0 FIADMP CC[NH+](CC1=Cc2ccccc2OC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661250 1102785740 /nfs/dbraw/zinc/78/57/40/1102785740.db2.gz NLFDKBFPMDBWHY-NRFANRHFSA-N 2 1 362.517 4.306 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551051576 1102863181 /nfs/dbraw/zinc/86/31/81/1102863181.db2.gz RFQSEFCPURWJIC-KMDXXIMOSA-N 2 1 363.549 4.076 20 0 FIADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000551051576 1102863189 /nfs/dbraw/zinc/86/31/89/1102863189.db2.gz RFQSEFCPURWJIC-KMDXXIMOSA-N 2 1 363.549 4.076 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694555 1102875184 /nfs/dbraw/zinc/87/51/84/1102875184.db2.gz MKMVTLQGCGWRLJ-YFVAEKQCSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694555 1102875201 /nfs/dbraw/zinc/87/52/01/1102875201.db2.gz MKMVTLQGCGWRLJ-YFVAEKQCSA-N 2 1 374.912 4.284 20 0 FIADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271814 1102904594 /nfs/dbraw/zinc/90/45/94/1102904594.db2.gz XIMBYRNLJCAVDM-YADHBBJMSA-N 2 1 370.581 4.474 20 0 FIADMP CC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550271478 1102906138 /nfs/dbraw/zinc/90/61/38/1102906138.db2.gz SYAKOCGNLJJOOD-NJEKYYFSSA-N 2 1 356.554 4.084 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087734 1102907467 /nfs/dbraw/zinc/90/74/67/1102907467.db2.gz ZIVADIBLRLFMAF-QHAWAJNXSA-N 2 1 358.913 4.453 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087734 1102907470 /nfs/dbraw/zinc/90/74/70/1102907470.db2.gz ZIVADIBLRLFMAF-QHAWAJNXSA-N 2 1 358.913 4.453 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000506864096 1102916731 /nfs/dbraw/zinc/91/67/31/1102916731.db2.gz ZIGHXMCFSLKCBX-UHFFFAOYSA-N 2 1 358.505 4.160 20 0 FIADMP CCOc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)C)cc1OCC ZINC000459368764 1102934395 /nfs/dbraw/zinc/93/43/95/1102934395.db2.gz CZBLWSIEPVGQLC-QFIPXVFZSA-N 2 1 360.542 4.398 20 0 FIADMP Brc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000459366647 1102936098 /nfs/dbraw/zinc/93/60/98/1102936098.db2.gz CXBLQJJAZNWXMY-UHFFFAOYSA-N 2 1 363.343 4.087 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)c1OC ZINC000551201595 1102976934 /nfs/dbraw/zinc/97/69/34/1102976934.db2.gz WIOMNQHHLZGSPL-CUWPLCDZSA-N 2 1 368.521 4.498 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)c1OC ZINC000551201595 1102976942 /nfs/dbraw/zinc/97/69/42/1102976942.db2.gz WIOMNQHHLZGSPL-CUWPLCDZSA-N 2 1 368.521 4.498 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccc2)c1 ZINC000537698602 1102985238 /nfs/dbraw/zinc/98/52/38/1102985238.db2.gz UVUQYQDHWMJRFK-VJBWXMMDSA-N 2 1 350.506 4.037 20 0 FIADMP Cc1cnn(CCCCC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476985501 1103005941 /nfs/dbraw/zinc/00/59/41/1103005941.db2.gz PZEFPYDJIITCSX-OAQYLSRUSA-N 2 1 360.590 4.338 20 0 FIADMP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265352 1103025377 /nfs/dbraw/zinc/02/53/77/1103025377.db2.gz UBCBRZOUMSWCAD-NFBKMPQASA-N 2 1 370.581 4.474 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1cn2ccccc2n1 ZINC000551268306 1103031117 /nfs/dbraw/zinc/03/11/17/1103031117.db2.gz VGMFIZBYFWXEIR-IBGZPJMESA-N 2 1 362.521 4.417 20 0 FIADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459382346 1103099652 /nfs/dbraw/zinc/09/96/52/1103099652.db2.gz DHSDRHOKKYZLMP-XIZQWUBESA-N 2 1 362.517 4.495 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccc(C)cc3)cs2)C1 ZINC000509671214 1103126926 /nfs/dbraw/zinc/12/69/26/1103126926.db2.gz CZLZONLSXLWTIB-IBGZPJMESA-N 2 1 373.566 4.051 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C)cc3)cs2)C1 ZINC000509671214 1103126936 /nfs/dbraw/zinc/12/69/36/1103126936.db2.gz CZLZONLSXLWTIB-IBGZPJMESA-N 2 1 373.566 4.051 20 0 FIADMP c1cc(Sc2ccccn2)oc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000507208691 1103215558 /nfs/dbraw/zinc/21/55/58/1103215558.db2.gz HFNVMSRJTGQXHS-UHFFFAOYSA-N 2 1 357.523 4.134 20 0 FIADMP Cc1ccccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985037 1103264919 /nfs/dbraw/zinc/26/49/19/1103264919.db2.gz SRDRBCICXMEVAR-WCRBZPEASA-N 2 1 354.538 4.244 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507459372 1103405322 /nfs/dbraw/zinc/40/53/22/1103405322.db2.gz FUGPYZVKESFTKZ-SSPYTLHUSA-N 2 1 359.517 4.211 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000507498119 1103429164 /nfs/dbraw/zinc/42/91/64/1103429164.db2.gz UFTBFUMWRPCOQI-PNJWGLBASA-N 2 1 368.496 4.013 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000507498119 1103429178 /nfs/dbraw/zinc/42/91/78/1103429178.db2.gz UFTBFUMWRPCOQI-PNJWGLBASA-N 2 1 368.496 4.013 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000477665300 1103765107 /nfs/dbraw/zinc/76/51/07/1103765107.db2.gz HLGJYEDDOHVMAX-KRWDZBQOSA-N 2 1 356.514 4.242 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000477665300 1103765122 /nfs/dbraw/zinc/76/51/22/1103765122.db2.gz HLGJYEDDOHVMAX-KRWDZBQOSA-N 2 1 356.514 4.242 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000551948312 1103802277 /nfs/dbraw/zinc/80/22/77/1103802277.db2.gz RNQZMENXEQGDNF-UHFFFAOYSA-N 2 1 359.539 4.378 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766814 1103926010 /nfs/dbraw/zinc/92/60/10/1103926010.db2.gz JFLDTOHAKYPXJK-BHIYHBOVSA-N 2 1 370.459 4.247 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766814 1103926018 /nfs/dbraw/zinc/92/60/18/1103926018.db2.gz JFLDTOHAKYPXJK-BHIYHBOVSA-N 2 1 370.459 4.247 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440813252 1103973877 /nfs/dbraw/zinc/97/38/77/1103973877.db2.gz ANPPLZAXEAAJHQ-AWEZNQCLSA-N 2 1 366.431 4.093 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000520206806 1104172315 /nfs/dbraw/zinc/17/23/15/1104172315.db2.gz OGJHBXRXCACNNP-UHFFFAOYSA-N 2 1 364.411 4.123 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000520206806 1104172318 /nfs/dbraw/zinc/17/23/18/1104172318.db2.gz OGJHBXRXCACNNP-UHFFFAOYSA-N 2 1 364.411 4.123 20 0 FIADMP CCOc1ccccc1OCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000441386496 1104321886 /nfs/dbraw/zinc/32/18/86/1104321886.db2.gz FGROTJJZRJWSMW-PMACEKPBSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000441386496 1104321896 /nfs/dbraw/zinc/32/18/96/1104321896.db2.gz FGROTJJZRJWSMW-PMACEKPBSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000441386496 1104321905 /nfs/dbraw/zinc/32/19/05/1104321905.db2.gz FGROTJJZRJWSMW-PMACEKPBSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000441386496 1104321916 /nfs/dbraw/zinc/32/19/16/1104321916.db2.gz FGROTJJZRJWSMW-PMACEKPBSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000441386496 1104321927 /nfs/dbraw/zinc/32/19/27/1104321927.db2.gz FGROTJJZRJWSMW-PMACEKPBSA-N 2 1 360.542 4.051 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccccc3F)CC2)cs1 ZINC000112546818 1104369183 /nfs/dbraw/zinc/36/91/83/1104369183.db2.gz BXUACMGHSUJUKO-OAHLLOKOSA-N 2 1 361.530 4.407 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000112517379 1104373164 /nfs/dbraw/zinc/37/31/64/1104373164.db2.gz YBQASLPUVOMKIO-HNNXBMFYSA-N 2 1 362.876 4.162 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CCC2)cc1 ZINC000427567447 1104605382 /nfs/dbraw/zinc/60/53/82/1104605382.db2.gz XKCUUVWWOVULAT-DEOSSOPVSA-N 2 1 364.533 4.458 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000189274440 1104791951 /nfs/dbraw/zinc/79/19/51/1104791951.db2.gz DDSJVIPPFHBSPC-UNMCSNQZSA-N 2 1 364.537 4.063 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3nc(C)ccc3c2)cc1F ZINC000189281858 1104793287 /nfs/dbraw/zinc/79/32/87/1104793287.db2.gz NRJSJNHWTUPLGB-UHFFFAOYSA-N 2 1 360.436 4.466 20 0 FIADMP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2n1 ZINC000189314691 1104794698 /nfs/dbraw/zinc/79/46/98/1104794698.db2.gz ALGULKLKRJGNKW-QFIPXVFZSA-N 2 1 359.517 4.197 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585522 1104904405 /nfs/dbraw/zinc/90/44/05/1104904405.db2.gz CWUFIIJVAGNIOW-WWPVKYPJSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585522 1104904407 /nfs/dbraw/zinc/90/44/07/1104904407.db2.gz CWUFIIJVAGNIOW-WWPVKYPJSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585522 1104904410 /nfs/dbraw/zinc/90/44/10/1104904410.db2.gz CWUFIIJVAGNIOW-WWPVKYPJSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585522 1104904411 /nfs/dbraw/zinc/90/44/11/1104904411.db2.gz CWUFIIJVAGNIOW-WWPVKYPJSA-N 2 1 367.512 4.262 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000536423995 1104927908 /nfs/dbraw/zinc/92/79/08/1104927908.db2.gz KKDPNRGAYCXRTJ-JOCHJYFZSA-N 2 1 356.554 4.422 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000441510075 1104958339 /nfs/dbraw/zinc/95/83/39/1104958339.db2.gz JFVMIFPSAOVTKI-UHFFFAOYSA-N 2 1 364.533 4.008 20 0 FIADMP C[C@@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1cnc2ccccn21 ZINC001168006935 1105125926 /nfs/dbraw/zinc/12/59/26/1105125926.db2.gz PRTQOGJDBJLAMH-GUDVDZBRSA-N 2 1 362.521 4.427 20 0 FIADMP Cc1ccc2ncc(C[NH2+]C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)n2c1 ZINC001168007940 1105148937 /nfs/dbraw/zinc/14/89/37/1105148937.db2.gz VPJACHBWYARXMJ-RTBURBONSA-N 2 1 362.521 4.174 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168007999 1105151658 /nfs/dbraw/zinc/15/16/58/1105151658.db2.gz CBOQXHDJVIYEQE-JHDGKUDLSA-N 2 1 357.586 4.412 20 0 FIADMP Cc1cccc2ncc(C[NH2+]C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC001168008292 1105178456 /nfs/dbraw/zinc/17/84/56/1105178456.db2.gz XCCSUWASVXAKNT-OALUTQOASA-N 2 1 362.521 4.174 20 0 FIADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(OC3CCCC3)CC2)c1 ZINC000665254125 1105347692 /nfs/dbraw/zinc/34/76/92/1105347692.db2.gz IHMWLMOQRWZKEF-QJWFJBDNSA-N 2 1 360.517 4.131 20 0 FIADMP c1ccc(C[NH+](CCC[NH2+][C@H]2CCCOCC2)Cc2ccccc2)cc1 ZINC000390596054 1106739654 /nfs/dbraw/zinc/73/96/54/1106739654.db2.gz VZIWNSXVOPLJJB-QHCPKHFHSA-N 2 1 352.522 4.238 20 0 FIADMP COCCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000475357875 1106758450 /nfs/dbraw/zinc/75/84/50/1106758450.db2.gz ZDIFDLQWMOYGFZ-DEOSSOPVSA-N 2 1 366.549 4.279 20 0 FIADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168064980 1106885076 /nfs/dbraw/zinc/88/50/76/1106885076.db2.gz TWJZFLFPKJVHDT-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168064980 1106885089 /nfs/dbraw/zinc/88/50/89/1106885089.db2.gz TWJZFLFPKJVHDT-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168064980 1106885105 /nfs/dbraw/zinc/88/51/05/1106885105.db2.gz TWJZFLFPKJVHDT-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000192952482 1106911703 /nfs/dbraw/zinc/91/17/03/1106911703.db2.gz GEQRLAJKBFPEKR-QGZVFWFLSA-N 2 1 367.331 4.125 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000523035648 1106912813 /nfs/dbraw/zinc/91/28/13/1106912813.db2.gz KEKORTSMYOIMEQ-UHFFFAOYSA-N 2 1 371.569 4.009 20 0 FIADMP C[C@H]1C[NH+](CCC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@H](C)O1 ZINC000301513189 1107054251 /nfs/dbraw/zinc/05/42/51/1107054251.db2.gz BGURYMMSCUWKFM-HOTGVXAUSA-N 2 1 359.539 4.012 20 0 FIADMP CCCc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000301784374 1107149345 /nfs/dbraw/zinc/14/93/45/1107149345.db2.gz KLVDGRBOSWJPLX-UHFFFAOYSA-N 2 1 366.534 4.356 20 0 FIADMP CCCc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000301784374 1107149354 /nfs/dbraw/zinc/14/93/54/1107149354.db2.gz KLVDGRBOSWJPLX-UHFFFAOYSA-N 2 1 366.534 4.356 20 0 FIADMP Cc1[nH+]c2ccccc2c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C ZINC000302164394 1107323267 /nfs/dbraw/zinc/32/32/67/1107323267.db2.gz OOVKHIGIIWHRPE-FQEVSTJZSA-N 2 1 361.489 4.030 20 0 FIADMP CC[NH+]1CCC([N@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000530904999 1107401562 /nfs/dbraw/zinc/40/15/62/1107401562.db2.gz ZDJAIHJBFJXAJF-UHFFFAOYSA-N 2 1 358.448 4.281 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000530904999 1107401580 /nfs/dbraw/zinc/40/15/80/1107401580.db2.gz ZDJAIHJBFJXAJF-UHFFFAOYSA-N 2 1 358.448 4.281 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152444358 1107651821 /nfs/dbraw/zinc/65/18/21/1107651821.db2.gz LYQDGBCZYMSWEW-MAUKXSAKSA-N 2 1 355.551 4.177 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152444358 1107651834 /nfs/dbraw/zinc/65/18/34/1107651834.db2.gz LYQDGBCZYMSWEW-MAUKXSAKSA-N 2 1 355.551 4.177 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC000444658089 1108053365 /nfs/dbraw/zinc/05/33/65/1108053365.db2.gz AFYCSLINWWBDRQ-NJYVYQBISA-N 2 1 356.535 4.099 20 0 FIADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000531676954 1108065455 /nfs/dbraw/zinc/06/54/55/1108065455.db2.gz XEALASLKEBXQTO-CRAIPNDOSA-N 2 1 363.958 4.041 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057552 1108134672 /nfs/dbraw/zinc/13/46/72/1108134672.db2.gz FRQZKPYMDQLKIW-BMQTXXJKSA-N 2 1 352.526 4.157 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c2nccn21 ZINC000453057552 1108134682 /nfs/dbraw/zinc/13/46/82/1108134682.db2.gz FRQZKPYMDQLKIW-BMQTXXJKSA-N 2 1 352.526 4.157 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)cc1F ZINC000453076242 1108147855 /nfs/dbraw/zinc/14/78/55/1108147855.db2.gz VIHKUORSHOQYAA-INIZCTEOSA-N 2 1 352.457 4.216 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)c1 ZINC000453111334 1108179225 /nfs/dbraw/zinc/17/92/25/1108179225.db2.gz RIULGMQVWIWNFK-SFHVURJKSA-N 2 1 362.521 4.390 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)c1 ZINC000453111334 1108179233 /nfs/dbraw/zinc/17/92/33/1108179233.db2.gz RIULGMQVWIWNFK-SFHVURJKSA-N 2 1 362.521 4.390 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453163987 1108234756 /nfs/dbraw/zinc/23/47/56/1108234756.db2.gz FBTIXGOJYUNDBX-BHDDXSALSA-N 2 1 356.554 4.226 20 0 FIADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453171617 1108243868 /nfs/dbraw/zinc/24/38/68/1108243868.db2.gz MNZCYZXXGGYSMO-DHWLSRIRSA-N 2 1 367.537 4.428 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453211782 1108283474 /nfs/dbraw/zinc/28/34/74/1108283474.db2.gz OCNRMGNRMQWWOB-KURKYZTESA-N 2 1 352.444 4.362 20 0 FIADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453313923 1108402616 /nfs/dbraw/zinc/40/26/16/1108402616.db2.gz DYMKUZNZCHRMJW-PLYUQDFWSA-N 2 1 358.570 4.470 20 0 FIADMP CSC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000453333736 1108424273 /nfs/dbraw/zinc/42/42/73/1108424273.db2.gz BXZDBWIXIWWQDJ-HMQMGEFJSA-N 2 1 358.473 4.324 20 0 FIADMP CSC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000453333736 1108424284 /nfs/dbraw/zinc/42/42/84/1108424284.db2.gz BXZDBWIXIWWQDJ-HMQMGEFJSA-N 2 1 358.473 4.324 20 0 FIADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988751 1108471498 /nfs/dbraw/zinc/47/14/98/1108471498.db2.gz GFLRZDFXOZDTRF-UXHICEINSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988751 1108471512 /nfs/dbraw/zinc/47/15/12/1108471512.db2.gz GFLRZDFXOZDTRF-UXHICEINSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000531988751 1108471526 /nfs/dbraw/zinc/47/15/26/1108471526.db2.gz GFLRZDFXOZDTRF-UXHICEINSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000531988751 1108471543 /nfs/dbraw/zinc/47/15/43/1108471543.db2.gz GFLRZDFXOZDTRF-UXHICEINSA-N 2 1 355.551 4.246 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000453363033 1108479166 /nfs/dbraw/zinc/47/91/66/1108479166.db2.gz QGIBWFFJDXMLQK-KSEOMHKRSA-N 2 1 365.521 4.332 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453363033 1108479173 /nfs/dbraw/zinc/47/91/73/1108479173.db2.gz QGIBWFFJDXMLQK-KSEOMHKRSA-N 2 1 365.521 4.332 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000531979279 1108496721 /nfs/dbraw/zinc/49/67/21/1108496721.db2.gz MLFUCBSPSFUIKM-ZETOZRRWSA-N 2 1 365.732 4.344 20 0 FIADMP COc1ccc([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(F)cc2)cc1 ZINC000453402788 1108503943 /nfs/dbraw/zinc/50/39/43/1108503943.db2.gz NXDNXXLOVFYHHG-QFIPXVFZSA-N 2 1 356.485 4.388 20 0 FIADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)c(Cl)s1)C1CC1 ZINC000453599475 1108634198 /nfs/dbraw/zinc/63/41/98/1108634198.db2.gz RIXOXAJXXDAFEE-UHFFFAOYSA-N 2 1 351.741 4.128 20 0 FIADMP Cn1ccnc1C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453603720 1108653536 /nfs/dbraw/zinc/65/35/36/1108653536.db2.gz YMTBYLXICHQJKV-JOCHJYFZSA-N 2 1 366.553 4.077 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225245 1108723428 /nfs/dbraw/zinc/72/34/28/1108723428.db2.gz FNIJCKKMCYYFQK-IEBWSBKVSA-N 2 1 356.485 4.397 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc4ccccc4o3)CC2)CC1 ZINC000532268150 1108737828 /nfs/dbraw/zinc/73/78/28/1108737828.db2.gz WESBULZMWRAOFR-UHFFFAOYSA-N 2 1 369.553 4.061 20 0 FIADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccccc2o1 ZINC000532268150 1108737839 /nfs/dbraw/zinc/73/78/39/1108737839.db2.gz WESBULZMWRAOFR-UHFFFAOYSA-N 3 1 369.553 4.061 20 0 FIADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccccc2o1 ZINC000532268150 1108737850 /nfs/dbraw/zinc/73/78/50/1108737850.db2.gz WESBULZMWRAOFR-UHFFFAOYSA-N 3 1 369.553 4.061 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000623357333 1108905177 /nfs/dbraw/zinc/90/51/77/1108905177.db2.gz JWXRTWIPABOSJE-DYESRHJHSA-N 2 1 365.521 4.462 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000623357333 1108905180 /nfs/dbraw/zinc/90/51/80/1108905180.db2.gz JWXRTWIPABOSJE-DYESRHJHSA-N 2 1 365.521 4.462 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000525267304 1109324590 /nfs/dbraw/zinc/32/45/90/1109324590.db2.gz NGQUMVROUFAXFK-CVDCTZTESA-N 2 1 351.538 4.001 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1cccc(F)c1 ZINC000446745655 1109326984 /nfs/dbraw/zinc/32/69/84/1109326984.db2.gz SPZGCEKOJFHUJH-HSZRJFAPSA-N 2 1 369.528 4.204 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753203 1109329012 /nfs/dbraw/zinc/32/90/12/1109329012.db2.gz RBZREECCTYPQAZ-LRDDRELGSA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(Br)cc1Cl ZINC000446753203 1109329016 /nfs/dbraw/zinc/32/90/16/1109329016.db2.gz RBZREECCTYPQAZ-LRDDRELGSA-N 2 1 359.739 4.485 20 0 FIADMP Cc1[nH+]ccn1CCCN(C)c1cc(C)[nH+]c2ccc(OC(F)F)cc21 ZINC000446882673 1109371689 /nfs/dbraw/zinc/37/16/89/1109371689.db2.gz GMHLCLJDQVBRQQ-UHFFFAOYSA-N 2 1 360.408 4.176 20 0 FIADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525633042 1109462610 /nfs/dbraw/zinc/46/26/10/1109462610.db2.gz DSCFXDDDCDAJBJ-FDRBHKFBSA-N 2 1 363.634 4.329 20 0 FIADMP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000525696286 1109480583 /nfs/dbraw/zinc/48/05/83/1109480583.db2.gz RTTIUYZHGVEWJF-OAQYLSRUSA-N 2 1 358.913 4.282 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697384 1109481785 /nfs/dbraw/zinc/48/17/85/1109481785.db2.gz RPVFLROBUOATGO-GHTZIAJQSA-N 2 1 354.519 4.197 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697384 1109481789 /nfs/dbraw/zinc/48/17/89/1109481789.db2.gz RPVFLROBUOATGO-GHTZIAJQSA-N 2 1 354.519 4.197 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@@H+]1C ZINC000525708911 1109487977 /nfs/dbraw/zinc/48/79/77/1109487977.db2.gz SFSROETWGKZTBH-RDJZCZTQSA-N 2 1 371.912 4.165 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[N@H+]1C ZINC000525708911 1109487980 /nfs/dbraw/zinc/48/79/80/1109487980.db2.gz SFSROETWGKZTBH-RDJZCZTQSA-N 2 1 371.912 4.165 20 0 FIADMP CCCOc1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544419277 1109545966 /nfs/dbraw/zinc/54/59/66/1109545966.db2.gz AZBBBDAYOMQXBN-MOPGFXCFSA-N 2 1 360.542 4.097 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000447536046 1109571816 /nfs/dbraw/zinc/57/18/16/1109571816.db2.gz KQPDIQDGYPKPNS-KSZLIROESA-N 2 1 356.510 4.356 20 0 FIADMP Fc1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(F)c1F ZINC000447591916 1109589648 /nfs/dbraw/zinc/58/96/48/1109589648.db2.gz JIHRUIYEFOTGKG-REPLKXPHSA-N 2 1 374.450 4.432 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000447609738 1109602188 /nfs/dbraw/zinc/60/21/88/1109602188.db2.gz YYLYZDCQRNIAQI-NKKJXINNSA-N 2 1 364.533 4.227 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000448024085 1109696206 /nfs/dbraw/zinc/69/62/06/1109696206.db2.gz WKSNLIRPFKXRAT-PWIZWCRZSA-N 2 1 363.509 4.291 20 0 FIADMP Fc1cc2c(cc1Cl)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000527845980 1109846295 /nfs/dbraw/zinc/84/62/95/1109846295.db2.gz LBRIUUUSBRTVCN-NRFANRHFSA-N 2 1 374.887 4.088 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C2CC2)cn1 ZINC000528044828 1109897590 /nfs/dbraw/zinc/89/75/90/1109897590.db2.gz VMXIYVCPQDWDHW-XUEUYAKLSA-N 2 1 357.542 4.174 20 0 FIADMP Fc1ccccc1-c1ncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051027 1109968657 /nfs/dbraw/zinc/96/86/57/1109968657.db2.gz WLVIAJMRSKFMEG-FOIQADDNSA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000449051027 1109968663 /nfs/dbraw/zinc/96/86/63/1109968663.db2.gz WLVIAJMRSKFMEG-FOIQADDNSA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051027 1109968664 /nfs/dbraw/zinc/96/86/64/1109968664.db2.gz WLVIAJMRSKFMEG-FOIQADDNSA-N 2 1 371.525 4.398 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2-n2cccn2)CC1 ZINC000449079375 1109974622 /nfs/dbraw/zinc/97/46/22/1109974622.db2.gz YLUZYFYYEIOHKZ-UHFFFAOYSA-N 2 1 369.557 4.036 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccccc2-c2ccccc2C)CC1 ZINC000449080742 1109975078 /nfs/dbraw/zinc/97/50/78/1109975078.db2.gz YVQLVTHMXZNKJU-UHFFFAOYSA-N 2 1 365.565 4.169 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)N1CCCC[C@H]1C ZINC000449118873 1109980438 /nfs/dbraw/zinc/98/04/38/1109980438.db2.gz ZRLJBMSWLGWVRC-QZTJIDSGSA-N 2 1 365.606 4.045 20 0 FIADMP Cc1ccccc1-c1ccccc1C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449132273 1109981843 /nfs/dbraw/zinc/98/18/43/1109981843.db2.gz TXDYTSSHKKFULO-UHFFFAOYSA-N 2 1 364.533 4.397 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc3ccccc3cc2OC)[C@H](C)C1 ZINC000449139407 1109983933 /nfs/dbraw/zinc/98/39/33/1109983933.db2.gz KYPIRVMERINKIL-XMSQKQJNSA-N 2 1 370.537 4.075 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@H](C)C1 ZINC000449139407 1109983937 /nfs/dbraw/zinc/98/39/37/1109983937.db2.gz KYPIRVMERINKIL-XMSQKQJNSA-N 2 1 370.537 4.075 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)CC2)[nH+]1 ZINC000449144928 1109985545 /nfs/dbraw/zinc/98/55/45/1109985545.db2.gz VKGJIJBWSMYHNM-MRXNPFEDSA-N 2 1 361.411 4.053 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@H]1c1cccs1 ZINC000449160273 1109989407 /nfs/dbraw/zinc/98/94/07/1109989407.db2.gz LDMLHIQGHHLLNI-JXFKEZNVSA-N 2 1 358.555 4.232 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@H]1c1cccs1 ZINC000449160273 1109989409 /nfs/dbraw/zinc/98/94/09/1109989409.db2.gz LDMLHIQGHHLLNI-JXFKEZNVSA-N 2 1 358.555 4.232 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000449364662 1110042566 /nfs/dbraw/zinc/04/25/66/1110042566.db2.gz OAFYZEJFQKJTPZ-GOSISDBHSA-N 2 1 370.537 4.312 20 0 FIADMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416286 1110056533 /nfs/dbraw/zinc/05/65/33/1110056533.db2.gz SQPOOKRHOLIBJF-IRLDBZIGSA-N 2 1 356.554 4.036 20 0 FIADMP Cc1nocc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449411218 1110062482 /nfs/dbraw/zinc/06/24/82/1110062482.db2.gz AOCABBKUSRATTC-OAQYLSRUSA-N 2 1 353.510 4.106 20 0 FIADMP Cc1n[nH]c(C)c1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449412495 1110062854 /nfs/dbraw/zinc/06/28/54/1110062854.db2.gz FSTLJDUOJXAUGU-QFIPXVFZSA-N 2 1 366.553 4.149 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000449478402 1110085017 /nfs/dbraw/zinc/08/50/17/1110085017.db2.gz KCKOWOICXAGURL-GPJHCHHRSA-N 2 1 368.565 4.226 20 0 FIADMP CCC[N@H+](C[C@@H]1CCC(F)(F)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450566792 1110314830 /nfs/dbraw/zinc/31/48/30/1110314830.db2.gz SHMLVPGZRRIUAU-QGZVFWFLSA-N 2 1 366.500 4.210 20 0 FIADMP CCC[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450566792 1110314831 /nfs/dbraw/zinc/31/48/31/1110314831.db2.gz SHMLVPGZRRIUAU-QGZVFWFLSA-N 2 1 366.500 4.210 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC000538523862 1111171745 /nfs/dbraw/zinc/17/17/45/1111171745.db2.gz QYZADHQXONOHJG-GHTZIAJQSA-N 2 1 350.506 4.327 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC000538523862 1111171747 /nfs/dbraw/zinc/17/17/47/1111171747.db2.gz QYZADHQXONOHJG-GHTZIAJQSA-N 2 1 350.506 4.327 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H](O)c1ccccc1 ZINC000721322911 1111178178 /nfs/dbraw/zinc/17/81/78/1111178178.db2.gz GVYYZGAWLLCFHR-FCHUYYIVSA-N 2 1 352.522 4.000 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H](O)c1ccccc1 ZINC000721322911 1111178181 /nfs/dbraw/zinc/17/81/81/1111178181.db2.gz GVYYZGAWLLCFHR-FCHUYYIVSA-N 2 1 352.522 4.000 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538749880 1111280297 /nfs/dbraw/zinc/28/02/97/1111280297.db2.gz LJVWEZYSUFCBIC-GOSISDBHSA-N 2 1 365.587 4.124 20 0 FIADMP c1[nH]nc2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798624 1111294746 /nfs/dbraw/zinc/29/47/46/1111294746.db2.gz PTPUWHFPLYNRIS-GGAORHGYSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798624 1111294747 /nfs/dbraw/zinc/29/47/47/1111294747.db2.gz PTPUWHFPLYNRIS-GGAORHGYSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798624 1111294749 /nfs/dbraw/zinc/29/47/49/1111294749.db2.gz PTPUWHFPLYNRIS-GGAORHGYSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798624 1111294750 /nfs/dbraw/zinc/29/47/50/1111294750.db2.gz PTPUWHFPLYNRIS-GGAORHGYSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798624 1111294751 /nfs/dbraw/zinc/29/47/51/1111294751.db2.gz PTPUWHFPLYNRIS-GGAORHGYSA-N 2 1 360.505 4.049 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000539065338 1111416144 /nfs/dbraw/zinc/41/61/44/1111416144.db2.gz GWZGSLDUKCPZRH-NEPJUHHUSA-N 2 1 354.267 4.080 20 0 FIADMP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000477920459 1111602304 /nfs/dbraw/zinc/60/23/04/1111602304.db2.gz YZGGXVKPSVUAKR-INIZCTEOSA-N 2 1 358.505 4.092 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477930991 1111605821 /nfs/dbraw/zinc/60/58/21/1111605821.db2.gz BWUPZKQLKROGHO-GMHONNGPSA-N 2 1 364.533 4.264 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000552258323 1111638794 /nfs/dbraw/zinc/63/87/94/1111638794.db2.gz DMMDQSWACMCYPH-DBDQLMEASA-N 2 1 352.444 4.414 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037890 1111650633 /nfs/dbraw/zinc/65/06/33/1111650633.db2.gz AVEOHYCJBPARAI-NRFANRHFSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037890 1111650637 /nfs/dbraw/zinc/65/06/37/1111650637.db2.gz AVEOHYCJBPARAI-NRFANRHFSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037890 1111650641 /nfs/dbraw/zinc/65/06/41/1111650641.db2.gz AVEOHYCJBPARAI-NRFANRHFSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037890 1111650648 /nfs/dbraw/zinc/65/06/48/1111650648.db2.gz AVEOHYCJBPARAI-NRFANRHFSA-N 2 1 366.549 4.456 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000478037890 1111650654 /nfs/dbraw/zinc/65/06/54/1111650654.db2.gz AVEOHYCJBPARAI-NRFANRHFSA-N 2 1 366.549 4.456 20 0 FIADMP CCC(CC)n1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000552784943 1111804705 /nfs/dbraw/zinc/80/47/05/1111804705.db2.gz IMRVOFDMTWBPBQ-UHFFFAOYSA-N 2 1 369.557 4.378 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2ccc(C(=O)OC)o2)CC1)CC(C)C ZINC000552858815 1111833379 /nfs/dbraw/zinc/83/33/79/1111833379.db2.gz MOIJPEWRVZXCEG-QGZVFWFLSA-N 2 1 364.530 4.207 20 0 FIADMP CC(C)OCc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000552880181 1111843737 /nfs/dbraw/zinc/84/37/37/1111843737.db2.gz VFMAYKXXMBFQGR-UHFFFAOYSA-N 2 1 366.549 4.408 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479332410 1111994328 /nfs/dbraw/zinc/99/43/28/1111994328.db2.gz SZJXLXUQIMQNIN-DENIHFKCSA-N 2 1 366.553 4.351 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000479396246 1112012601 /nfs/dbraw/zinc/01/26/01/1112012601.db2.gz VBGADQANYJCDLY-NJYVYQBISA-N 2 1 366.496 4.019 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)C2)cc1 ZINC000479462544 1112032746 /nfs/dbraw/zinc/03/27/46/1112032746.db2.gz GHJDIKSZNREOAQ-ZDXQCDESSA-N 2 1 364.533 4.266 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@H](C)C1 ZINC000479526131 1112052903 /nfs/dbraw/zinc/05/29/03/1112052903.db2.gz LAAQEFCAVKYUJD-YKWDRNOUSA-N 2 1 362.533 4.188 20 0 FIADMP c1cc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667530777 1112094470 /nfs/dbraw/zinc/09/44/70/1112094470.db2.gz KWWNYOWSARLVHT-SFHVURJKSA-N 2 1 357.461 4.128 20 0 FIADMP c1cc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667530777 1112094475 /nfs/dbraw/zinc/09/44/75/1112094475.db2.gz KWWNYOWSARLVHT-SFHVURJKSA-N 2 1 357.461 4.128 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000479875399 1112173691 /nfs/dbraw/zinc/17/36/91/1112173691.db2.gz QHTBCKWFIUQCRM-MDZRGWNJSA-N 2 1 372.475 4.493 20 0 FIADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554087068 1112198156 /nfs/dbraw/zinc/19/81/56/1112198156.db2.gz UJDROACQUPLQJW-BHIFYINESA-N 2 1 358.570 4.330 20 0 FIADMP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCS2 ZINC000480159862 1112308446 /nfs/dbraw/zinc/30/84/46/1112308446.db2.gz FBRPDBAALHLCHU-HNNXBMFYSA-N 2 1 355.345 4.062 20 0 FIADMP COc1cc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369452 1112320679 /nfs/dbraw/zinc/32/06/79/1112320679.db2.gz GYHBPDIQENWHAC-LNLFQRSKSA-N 2 1 371.500 4.181 20 0 FIADMP COc1ccc(C2([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000480204656 1112331806 /nfs/dbraw/zinc/33/18/06/1112331806.db2.gz ZLXSDZRDIQMDFP-AZUAARDMSA-N 2 1 350.506 4.185 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480242224 1112346442 /nfs/dbraw/zinc/34/64/42/1112346442.db2.gz AHIULBHQCDBKCI-KRWDZBQOSA-N 2 1 372.557 4.276 20 0 FIADMP CC[N@H+](Cc1cc(COC)cs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684030 1112452896 /nfs/dbraw/zinc/45/28/96/1112452896.db2.gz ILENFQIWXIUZTJ-LJQANCHMSA-N 2 1 358.551 4.239 20 0 FIADMP CC[NH+](Cc1cc(COC)cs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684030 1112452898 /nfs/dbraw/zinc/45/28/98/1112452898.db2.gz ILENFQIWXIUZTJ-LJQANCHMSA-N 2 1 358.551 4.239 20 0 FIADMP CC[NH+](Cc1cc(COC)cs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684030 1112452900 /nfs/dbraw/zinc/45/29/00/1112452900.db2.gz ILENFQIWXIUZTJ-LJQANCHMSA-N 2 1 358.551 4.239 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)n1 ZINC000480601460 1112491567 /nfs/dbraw/zinc/49/15/67/1112491567.db2.gz PXADDCDDGVEYCJ-SJORKVTESA-N 2 1 352.526 4.176 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nnn1-c1ccc(C)cc1 ZINC000480612897 1112501174 /nfs/dbraw/zinc/50/11/74/1112501174.db2.gz ODDCVVXQHBKVJU-MOPGFXCFSA-N 2 1 369.557 4.189 20 0 FIADMP Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000554858681 1112532958 /nfs/dbraw/zinc/53/29/58/1112532958.db2.gz UDBLIZNJJBUCAE-ZEQRLZLVSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000554858681 1112532964 /nfs/dbraw/zinc/53/29/64/1112532964.db2.gz UDBLIZNJJBUCAE-ZEQRLZLVSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554858681 1112532966 /nfs/dbraw/zinc/53/29/66/1112532966.db2.gz UDBLIZNJJBUCAE-ZEQRLZLVSA-N 2 1 363.549 4.309 20 0 FIADMP C[C@H]([NH2+]CCCNc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480694839 1112557941 /nfs/dbraw/zinc/55/79/41/1112557941.db2.gz QBWQHQVNMIPGHE-ICSRJNTNSA-N 2 1 355.501 4.128 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000480695920 1112558587 /nfs/dbraw/zinc/55/85/87/1112558587.db2.gz UXKISIBONJZOAO-SFHVURJKSA-N 2 1 371.956 4.328 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000480733688 1112569451 /nfs/dbraw/zinc/56/94/51/1112569451.db2.gz BIZINGXEKISCMT-QHCPKHFHSA-N 2 1 351.538 4.065 20 0 FIADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000554978442 1112595656 /nfs/dbraw/zinc/59/56/56/1112595656.db2.gz KUHVBWWNCKHXRS-UHFFFAOYSA-N 2 1 366.336 4.411 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)cc1F ZINC000481542402 1112973683 /nfs/dbraw/zinc/97/36/83/1112973683.db2.gz JKQLTHPXDAJMMK-ASSNKEHSSA-N 2 1 353.416 4.482 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1C ZINC000481549256 1112974978 /nfs/dbraw/zinc/97/49/78/1112974978.db2.gz WRVPYQSHAQPDMW-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1C ZINC000481549256 1112974982 /nfs/dbraw/zinc/97/49/82/1112974982.db2.gz WRVPYQSHAQPDMW-UXHICEINSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1C ZINC000481582956 1112989439 /nfs/dbraw/zinc/98/94/39/1112989439.db2.gz PKVJWPKEJIYUFQ-ICSRJNTNSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1C ZINC000481582956 1112989440 /nfs/dbraw/zinc/98/94/40/1112989440.db2.gz PKVJWPKEJIYUFQ-ICSRJNTNSA-N 2 1 352.522 4.375 20 0 FIADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4cc(OC(F)(F)F)ccc43)CC[C@H]21 ZINC000899878678 1113041788 /nfs/dbraw/zinc/04/17/88/1113041788.db2.gz VULSJPLFMPSWHW-SUMWQHHRSA-N 2 1 365.399 4.054 20 0 FIADMP CN(c1cc[nH+]c2cc(OC(F)(F)F)ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000899878195 1113042472 /nfs/dbraw/zinc/04/24/72/1113042472.db2.gz MOQDENRVHPTCJA-PBWFPOADSA-N 2 1 365.399 4.195 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000481907037 1113134442 /nfs/dbraw/zinc/13/44/42/1113134442.db2.gz GTWJTLLOCXRRPQ-PXNSSMCTSA-N 2 1 357.567 4.309 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000482076169 1113172037 /nfs/dbraw/zinc/17/20/37/1113172037.db2.gz CTWAVPBLZWTTGH-OXJNMPFZSA-N 2 1 357.567 4.057 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000482163821 1113189950 /nfs/dbraw/zinc/18/99/50/1113189950.db2.gz NBMQFGKOINOBMP-UHFFFAOYSA-N 2 1 374.912 4.258 20 0 FIADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000482258550 1113208422 /nfs/dbraw/zinc/20/84/22/1113208422.db2.gz FMWUOGBUBKYXTQ-MOJGAOKDSA-N 2 1 374.569 4.091 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000482334315 1113227847 /nfs/dbraw/zinc/22/78/47/1113227847.db2.gz NSAZRZFUJIJXDC-VGOFRKELSA-N 2 1 371.569 4.320 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1OC ZINC000482433635 1113253058 /nfs/dbraw/zinc/25/30/58/1113253058.db2.gz CWKVAGBFXQDVDK-IFMALSPDSA-N 2 1 352.522 4.301 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456584 1113260933 /nfs/dbraw/zinc/26/09/33/1113260933.db2.gz ZKENXKZIHJKEOM-SIKLNZKXSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456584 1113260936 /nfs/dbraw/zinc/26/09/36/1113260936.db2.gz ZKENXKZIHJKEOM-SIKLNZKXSA-N 2 1 368.496 4.194 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000482454231 1113265702 /nfs/dbraw/zinc/26/57/02/1113265702.db2.gz WZHJONFODZVXLX-CTNGQTDRSA-N 2 1 352.547 4.378 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)[C@H](C)C1 ZINC000483139776 1113451932 /nfs/dbraw/zinc/45/19/32/1113451932.db2.gz YNDUMKJQIQHVOC-MXSMSXNCSA-N 2 1 368.612 4.400 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)[C@H](C)C1 ZINC000483139776 1113451934 /nfs/dbraw/zinc/45/19/34/1113451934.db2.gz YNDUMKJQIQHVOC-MXSMSXNCSA-N 2 1 368.612 4.400 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000486080701 1113500595 /nfs/dbraw/zinc/50/05/95/1113500595.db2.gz LEVPPLUHSVUNRA-WDSOQIARSA-N 2 1 372.475 4.059 20 0 FIADMP COc1ccc2oc(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374960 1113556152 /nfs/dbraw/zinc/55/61/52/1113556152.db2.gz MTIGZBKBAUKKQX-PKOBYXMFSA-N 2 1 364.489 4.442 20 0 FIADMP COc1ccc2oc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374960 1113556155 /nfs/dbraw/zinc/55/61/55/1113556155.db2.gz MTIGZBKBAUKKQX-PKOBYXMFSA-N 2 1 364.489 4.442 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486708756 1113627275 /nfs/dbraw/zinc/62/72/75/1113627275.db2.gz KHDXSYZFXXNAEB-HRAATJIYSA-N 2 1 351.469 4.307 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717111 1113628626 /nfs/dbraw/zinc/62/86/26/1113628626.db2.gz MZQHMMYSCUNQFB-JXFKEZNVSA-N 2 1 351.469 4.450 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000488107722 1113855546 /nfs/dbraw/zinc/85/55/46/1113855546.db2.gz GZIBMBSDYPZAJW-YCZSINBZSA-N 2 1 354.538 4.108 20 0 FIADMP Cc1cccc(C[NH+](C)Cc2ccccc2C[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000489620071 1114140050 /nfs/dbraw/zinc/14/00/50/1114140050.db2.gz JLLVAOKRDDUGLJ-UHFFFAOYSA-N 2 1 374.532 4.357 20 0 FIADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000570525248 1114149027 /nfs/dbraw/zinc/14/90/27/1114149027.db2.gz HFFCTTBSHSRCAY-UHFFFAOYSA-N 2 1 358.873 4.027 20 0 FIADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OCc1cccs1 ZINC000490088874 1114217263 /nfs/dbraw/zinc/21/72/63/1114217263.db2.gz MOFNBPHGIVYGCE-KRWDZBQOSA-N 2 1 360.523 4.039 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccc(C3CCCCC3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490961375 1114356126 /nfs/dbraw/zinc/35/61/26/1114356126.db2.gz BRHDVZLQKYXIAV-YKSBVNFPSA-N 2 1 369.597 4.192 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001212145101 1114418307 /nfs/dbraw/zinc/41/83/07/1114418307.db2.gz KWXZNDRHVILRAF-AWEZNQCLSA-N 2 1 374.382 4.063 20 0 FIADMP Brc1ccc2oc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2c1 ZINC000571226470 1114448396 /nfs/dbraw/zinc/44/83/96/1114448396.db2.gz LXGWJMKWIMVJTD-UHFFFAOYSA-N 2 1 363.299 4.159 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000571466595 1114466261 /nfs/dbraw/zinc/46/62/61/1114466261.db2.gz BTYAFUDKVIUIDA-MSOLQXFVSA-N 2 1 353.510 4.315 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000589836694 1114847150 /nfs/dbraw/zinc/84/71/50/1114847150.db2.gz QQEJKSMRVNZOOJ-INIZCTEOSA-N 2 1 368.949 4.492 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2csc(Br)c2)C1 ZINC000589837003 1114847269 /nfs/dbraw/zinc/84/72/69/1114847269.db2.gz UUHLPYSVDRZWTE-OKILXGFUSA-N 2 1 359.377 4.358 20 0 FIADMP CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999381 1114872466 /nfs/dbraw/zinc/87/24/66/1114872466.db2.gz DOKFZQZNIPDQCM-UHFFFAOYSA-N 2 1 373.928 4.171 20 0 FIADMP CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999381 1114872468 /nfs/dbraw/zinc/87/24/68/1114872468.db2.gz DOKFZQZNIPDQCM-UHFFFAOYSA-N 2 1 373.928 4.171 20 0 FIADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000589995362 1114872783 /nfs/dbraw/zinc/87/27/83/1114872783.db2.gz PWKKZCFFOBGYDP-JOCHJYFZSA-N 2 1 365.521 4.304 20 0 FIADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000589995362 1114872787 /nfs/dbraw/zinc/87/27/87/1114872787.db2.gz PWKKZCFFOBGYDP-JOCHJYFZSA-N 2 1 365.521 4.304 20 0 FIADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)n2)cc1 ZINC000590786739 1114974376 /nfs/dbraw/zinc/97/43/76/1114974376.db2.gz KVYSSRFEYFAHHR-UHFFFAOYSA-N 2 1 370.541 4.412 20 0 FIADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)cc1 ZINC000590786739 1114974379 /nfs/dbraw/zinc/97/43/79/1114974379.db2.gz KVYSSRFEYFAHHR-UHFFFAOYSA-N 2 1 370.541 4.412 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1)CC(C)C ZINC000573249274 1115086316 /nfs/dbraw/zinc/08/63/16/1115086316.db2.gz CCWANXVSYQSCGG-UHFFFAOYSA-N 2 1 374.495 4.025 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000573867871 1115192682 /nfs/dbraw/zinc/19/26/82/1115192682.db2.gz JYQPPULGFZCSFY-UNWVZKJWSA-N 2 1 367.537 4.326 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000573867870 1115192996 /nfs/dbraw/zinc/19/29/96/1115192996.db2.gz JYQPPULGFZCSFY-KJXAQDMKSA-N 2 1 367.537 4.326 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919434 1115196265 /nfs/dbraw/zinc/19/62/65/1115196265.db2.gz LBDAYRPOABVDJV-UXHICEINSA-N 2 1 356.579 4.307 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919434 1115196268 /nfs/dbraw/zinc/19/62/68/1115196268.db2.gz LBDAYRPOABVDJV-UXHICEINSA-N 2 1 356.579 4.307 20 0 FIADMP FC(F)(F)[C@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761049488 1115405142 /nfs/dbraw/zinc/40/51/42/1115405142.db2.gz HWYYWNKAPHDNIB-KBPBESRZSA-N 2 1 360.386 4.315 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c(C)o1 ZINC000594608012 1115471378 /nfs/dbraw/zinc/47/13/78/1115471378.db2.gz HILDBSMIBSWJSE-UHFFFAOYSA-N 2 1 370.493 4.040 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Br)cn1 ZINC000574811644 1115497147 /nfs/dbraw/zinc/49/71/47/1115497147.db2.gz LSQUIZZYCPZDLZ-LSDHHAIUSA-N 2 1 354.336 4.007 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000595025271 1115505005 /nfs/dbraw/zinc/50/50/05/1115505005.db2.gz KSDDXENBEWOVEU-BXWFABGCSA-N 2 1 366.571 4.089 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000595025271 1115505008 /nfs/dbraw/zinc/50/50/08/1115505008.db2.gz KSDDXENBEWOVEU-BXWFABGCSA-N 2 1 366.571 4.089 20 0 FIADMP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001168412255 1115691554 /nfs/dbraw/zinc/69/15/54/1115691554.db2.gz MBNUCMNKLJMXPA-YCAMKHIRSA-N 2 1 364.508 4.468 20 0 FIADMP COc1cccc(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1F ZINC000669679693 1115773761 /nfs/dbraw/zinc/77/37/61/1115773761.db2.gz AMJDSYPWHIYCCG-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1F ZINC000669679693 1115773763 /nfs/dbraw/zinc/77/37/63/1115773763.db2.gz AMJDSYPWHIYCCG-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1F ZINC000669679693 1115773765 /nfs/dbraw/zinc/77/37/65/1115773765.db2.gz AMJDSYPWHIYCCG-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982729 1115775364 /nfs/dbraw/zinc/77/53/64/1115775364.db2.gz YRRRQVYFWIHYPG-IPELMVKDSA-N 2 1 358.526 4.019 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982729 1115775367 /nfs/dbraw/zinc/77/53/67/1115775367.db2.gz YRRRQVYFWIHYPG-IPELMVKDSA-N 2 1 358.526 4.019 20 0 FIADMP O[C@@]1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366264 1116023581 /nfs/dbraw/zinc/02/35/81/1116023581.db2.gz FJSUEMPBRDLLJJ-RUZDIDTESA-N 2 1 372.512 4.080 20 0 FIADMP O[C@@]1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366264 1116023583 /nfs/dbraw/zinc/02/35/83/1116023583.db2.gz FJSUEMPBRDLLJJ-RUZDIDTESA-N 2 1 372.512 4.080 20 0 FIADMP C[N@@H+](CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Cc1ccccc1 ZINC000534354017 1116187880 /nfs/dbraw/zinc/18/78/80/1116187880.db2.gz XCCIWSHIFYVRDX-FYYLOGMGSA-N 2 1 352.522 4.266 20 0 FIADMP C(=C\c1ccncc1)\CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448726 1116198520 /nfs/dbraw/zinc/19/85/20/1116198520.db2.gz ASLZVEHMDPRJNX-ZKYGRLIUSA-N 2 1 369.512 4.353 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000534529355 1116210940 /nfs/dbraw/zinc/21/09/40/1116210940.db2.gz FZZHRULXPMBOKA-WZONZLPQSA-N 2 1 362.521 4.004 20 0 FIADMP Cn1cnc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc21 ZINC000539405776 1116332071 /nfs/dbraw/zinc/33/20/71/1116332071.db2.gz LRKCUGTWAHLLKB-XMMPIXPASA-N 2 1 374.532 4.061 20 0 FIADMP Cn1cnc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc21 ZINC000539405776 1116332073 /nfs/dbraw/zinc/33/20/73/1116332073.db2.gz LRKCUGTWAHLLKB-XMMPIXPASA-N 2 1 374.532 4.061 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc21 ZINC000539405776 1116332076 /nfs/dbraw/zinc/33/20/76/1116332076.db2.gz LRKCUGTWAHLLKB-XMMPIXPASA-N 2 1 374.532 4.061 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc21 ZINC000539405776 1116332078 /nfs/dbraw/zinc/33/20/78/1116332078.db2.gz LRKCUGTWAHLLKB-XMMPIXPASA-N 2 1 374.532 4.061 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514029 1116356789 /nfs/dbraw/zinc/35/67/89/1116356789.db2.gz OEUDNMIWEYKUFT-ICSRJNTNSA-N 2 1 350.506 4.184 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000669851614 1117759781 /nfs/dbraw/zinc/75/97/81/1117759781.db2.gz IRPNGZADKQKLIQ-GMAHTHKFSA-N 2 1 363.549 4.156 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000669851614 1117759784 /nfs/dbraw/zinc/75/97/84/1117759784.db2.gz IRPNGZADKQKLIQ-GMAHTHKFSA-N 2 1 363.549 4.156 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000462799219 1117769715 /nfs/dbraw/zinc/76/97/15/1117769715.db2.gz XBTWBXXWNMQBJB-UHFFFAOYSA-N 2 1 368.452 4.349 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000462798215 1117779366 /nfs/dbraw/zinc/77/93/66/1117779366.db2.gz JYYAMEBOERRSGB-GOSISDBHSA-N 2 1 354.542 4.294 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000462882112 1117837854 /nfs/dbraw/zinc/83/78/54/1117837854.db2.gz FLYHPYHIUHEZEK-HSZRJFAPSA-N 2 1 350.506 4.332 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000540144548 1117895704 /nfs/dbraw/zinc/89/57/04/1117895704.db2.gz ZMFBSSMJKAGGSS-SVFBPWRDSA-N 2 1 354.542 4.415 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000540137210 1117901136 /nfs/dbraw/zinc/90/11/36/1117901136.db2.gz OLEKQJFFQDZWJX-VWNXMTODSA-N 2 1 364.533 4.061 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc3ccccc32)[C@@H](C)C1 ZINC000540169450 1117912329 /nfs/dbraw/zinc/91/23/29/1117912329.db2.gz TUTMNJQGOOOFLU-CVDCTZTESA-N 2 1 354.538 4.109 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000463037034 1117930094 /nfs/dbraw/zinc/93/00/94/1117930094.db2.gz VNLKGOSLEAVZRQ-KANFNMMFSA-N 2 1 350.572 4.313 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000463037034 1117930096 /nfs/dbraw/zinc/93/00/96/1117930096.db2.gz VNLKGOSLEAVZRQ-KANFNMMFSA-N 2 1 350.572 4.313 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000463037035 1117930193 /nfs/dbraw/zinc/93/01/93/1117930193.db2.gz VNLKGOSLEAVZRQ-LULLPPNCSA-N 2 1 350.572 4.313 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1(C)C ZINC000463037035 1117930195 /nfs/dbraw/zinc/93/01/95/1117930195.db2.gz VNLKGOSLEAVZRQ-LULLPPNCSA-N 2 1 350.572 4.313 20 0 FIADMP Clc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463065283 1117948859 /nfs/dbraw/zinc/94/88/59/1117948859.db2.gz PYVNBFHULMNGSI-UHFFFAOYSA-N 2 1 358.913 4.016 20 0 FIADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070120 1117955353 /nfs/dbraw/zinc/95/53/53/1117955353.db2.gz CKGYQCANGRAEEV-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070120 1117955354 /nfs/dbraw/zinc/95/53/54/1117955354.db2.gz CKGYQCANGRAEEV-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](COc1cccc(F)c1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463072615 1117957183 /nfs/dbraw/zinc/95/71/83/1117957183.db2.gz QTCBJMDDZQBACL-QGZVFWFLSA-N 2 1 374.475 4.029 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074797 1117958842 /nfs/dbraw/zinc/95/88/42/1117958842.db2.gz IZJFYACBMKLKRG-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074797 1117958844 /nfs/dbraw/zinc/95/88/44/1117958844.db2.gz IZJFYACBMKLKRG-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463077534 1117959855 /nfs/dbraw/zinc/95/98/55/1117959855.db2.gz JMQJROKVFSIEFN-QGZVFWFLSA-N 2 1 374.475 4.029 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000540258264 1117961968 /nfs/dbraw/zinc/96/19/68/1117961968.db2.gz FVAUDQYNXJYROR-OXJNMPFZSA-N 2 1 359.514 4.475 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124309 1117973307 /nfs/dbraw/zinc/97/33/07/1117973307.db2.gz MUMRYZSQTRHSIF-DNVCBOLYSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124309 1117973308 /nfs/dbraw/zinc/97/33/08/1117973308.db2.gz MUMRYZSQTRHSIF-DNVCBOLYSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302135 1117976080 /nfs/dbraw/zinc/97/60/80/1117976080.db2.gz QTJWOPHLVKRZIL-UZUQRXQVSA-N 2 1 368.496 4.287 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302135 1117976081 /nfs/dbraw/zinc/97/60/81/1117976081.db2.gz QTJWOPHLVKRZIL-UZUQRXQVSA-N 2 1 368.496 4.287 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000540301466 1117976639 /nfs/dbraw/zinc/97/66/39/1117976639.db2.gz ZRUQXZBZZNPQEN-RTBURBONSA-N 2 1 372.475 4.229 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463155471 1117994639 /nfs/dbraw/zinc/99/46/39/1117994639.db2.gz IVVARILOIVDNTJ-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463155471 1117994640 /nfs/dbraw/zinc/99/46/40/1117994640.db2.gz IVVARILOIVDNTJ-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Oc1cccc(F)c1 ZINC000463190172 1118007260 /nfs/dbraw/zinc/00/72/60/1118007260.db2.gz IUKXDJPJCXTCTO-KRWDZBQOSA-N 2 1 374.475 4.029 20 0 FIADMP c1ccc(OC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)cc1 ZINC000540362515 1118015136 /nfs/dbraw/zinc/01/51/36/1118015136.db2.gz LMSWJWZNPRUPRD-HSZRJFAPSA-N 2 1 350.506 4.271 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463189286 1118018485 /nfs/dbraw/zinc/01/84/85/1118018485.db2.gz GURNHMPGKMHQNR-UGKGYDQZSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463189286 1118018489 /nfs/dbraw/zinc/01/84/89/1118018489.db2.gz GURNHMPGKMHQNR-UGKGYDQZSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccs1 ZINC000540394209 1118028064 /nfs/dbraw/zinc/02/80/64/1118028064.db2.gz IZUOSPRGEGLDIJ-FGTMMUONSA-N 2 1 373.566 4.003 20 0 FIADMP CC(C)[NH+](CCCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000463203242 1118032082 /nfs/dbraw/zinc/03/20/82/1118032082.db2.gz FADAUQRPPXXQAE-UHFFFAOYSA-N 2 1 365.993 4.403 20 0 FIADMP Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463239224 1118047066 /nfs/dbraw/zinc/04/70/66/1118047066.db2.gz UVQQUFMRRIPJDW-XUTJKUGGSA-N 2 1 352.497 4.368 20 0 FIADMP CCO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251293 1118060865 /nfs/dbraw/zinc/06/08/65/1118060865.db2.gz CZEDDWIOJVOGTB-UEVCKROQSA-N 2 1 352.522 4.407 20 0 FIADMP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251293 1118060869 /nfs/dbraw/zinc/06/08/69/1118060869.db2.gz CZEDDWIOJVOGTB-UEVCKROQSA-N 2 1 352.522 4.407 20 0 FIADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000463267124 1118071505 /nfs/dbraw/zinc/07/15/05/1118071505.db2.gz OBQVZDFCHBOLKL-SIKLNZKXSA-N 2 1 352.522 4.194 20 0 FIADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000463267124 1118071507 /nfs/dbraw/zinc/07/15/07/1118071507.db2.gz OBQVZDFCHBOLKL-SIKLNZKXSA-N 2 1 352.522 4.194 20 0 FIADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463270770 1118072463 /nfs/dbraw/zinc/07/24/63/1118072463.db2.gz HNYPVRWKGGPWSW-GOSISDBHSA-N 2 1 360.439 4.399 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463273472 1118074011 /nfs/dbraw/zinc/07/40/11/1118074011.db2.gz LKRHLFGGSRUSTA-OTUUDDROSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463273472 1118074017 /nfs/dbraw/zinc/07/40/17/1118074017.db2.gz LKRHLFGGSRUSTA-OTUUDDROSA-N 2 1 364.533 4.407 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658653 1118177700 /nfs/dbraw/zinc/17/77/00/1118177700.db2.gz PTPJRFYWFZNSJX-VIZSFHNOSA-N 2 1 370.537 4.487 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000540988457 1118339391 /nfs/dbraw/zinc/33/93/91/1118339391.db2.gz LLWSMKWGBKXXDS-UNMCSNQZSA-N 2 1 370.924 4.074 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1F ZINC000540989947 1118340048 /nfs/dbraw/zinc/34/00/48/1118340048.db2.gz ALMLWZRMPZHMAE-LPHOPBHVSA-N 2 1 356.913 4.003 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000540988201 1118340098 /nfs/dbraw/zinc/34/00/98/1118340098.db2.gz HNFPLYZTFZCGMU-LJQANCHMSA-N 2 1 356.913 4.267 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc2c(s1)CCC2 ZINC000540990769 1118340622 /nfs/dbraw/zinc/34/06/22/1118340622.db2.gz RRLGANRYPHADLG-OXJNMPFZSA-N 2 1 370.562 4.044 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000540990277 1118341564 /nfs/dbraw/zinc/34/15/64/1118341564.db2.gz KSWHPJCIUWZSDS-UGKGYDQZSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000540990277 1118341573 /nfs/dbraw/zinc/34/15/73/1118341573.db2.gz KSWHPJCIUWZSDS-UGKGYDQZSA-N 2 1 368.496 4.194 20 0 FIADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000464054882 1118426884 /nfs/dbraw/zinc/42/68/84/1118426884.db2.gz HHNGZHUNEOIINE-LEWJYISDSA-N 2 1 356.554 4.193 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541348371 1118482208 /nfs/dbraw/zinc/48/22/08/1118482208.db2.gz CAUYWNUODKUTCE-TZIWHRDSSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541348371 1118482209 /nfs/dbraw/zinc/48/22/09/1118482209.db2.gz CAUYWNUODKUTCE-TZIWHRDSSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348371 1118482212 /nfs/dbraw/zinc/48/22/12/1118482212.db2.gz CAUYWNUODKUTCE-TZIWHRDSSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348371 1118482213 /nfs/dbraw/zinc/48/22/13/1118482213.db2.gz CAUYWNUODKUTCE-TZIWHRDSSA-N 2 1 374.569 4.483 20 0 FIADMP COc1cc(Br)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000541926210 1118704433 /nfs/dbraw/zinc/70/44/33/1118704433.db2.gz AZSRLTDUFDYUCZ-UHFFFAOYSA-N 2 1 369.347 4.012 20 0 FIADMP Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845138 1118718674 /nfs/dbraw/zinc/71/86/74/1118718674.db2.gz DBUDZBVTNPENLR-QFIPXVFZSA-N 2 1 352.522 4.218 20 0 FIADMP Cc1ccccc1OCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845138 1118718677 /nfs/dbraw/zinc/71/86/77/1118718677.db2.gz DBUDZBVTNPENLR-QFIPXVFZSA-N 2 1 352.522 4.218 20 0 FIADMP Cc1ccccc1OCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845138 1118718681 /nfs/dbraw/zinc/71/86/81/1118718681.db2.gz DBUDZBVTNPENLR-QFIPXVFZSA-N 2 1 352.522 4.218 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)CC1 ZINC000303025961 1118770446 /nfs/dbraw/zinc/77/04/46/1118770446.db2.gz ODTPIFHJGIRHRX-SFHVURJKSA-N 2 1 352.469 4.232 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)CC1 ZINC000303025961 1118770449 /nfs/dbraw/zinc/77/04/49/1118770449.db2.gz ODTPIFHJGIRHRX-SFHVURJKSA-N 2 1 352.469 4.232 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000542086381 1118783042 /nfs/dbraw/zinc/78/30/42/1118783042.db2.gz YXDMUOANGQHJGL-OAQYLSRUSA-N 2 1 364.961 4.398 20 0 FIADMP COc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000542316821 1118900104 /nfs/dbraw/zinc/90/01/04/1118900104.db2.gz FSCJLJKMWIBWDR-UHFFFAOYSA-N 2 1 352.478 4.204 20 0 FIADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442524 1118988150 /nfs/dbraw/zinc/98/81/50/1118988150.db2.gz VWPLVJJWKFJUTQ-WMZHIEFXSA-N 2 1 352.497 4.137 20 0 FIADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442524 1118988153 /nfs/dbraw/zinc/98/81/53/1118988153.db2.gz VWPLVJJWKFJUTQ-WMZHIEFXSA-N 2 1 352.497 4.137 20 0 FIADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442524 1118988156 /nfs/dbraw/zinc/98/81/56/1118988156.db2.gz VWPLVJJWKFJUTQ-WMZHIEFXSA-N 2 1 352.497 4.137 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000173822125 1119073526 /nfs/dbraw/zinc/07/35/26/1119073526.db2.gz ACGLHMYWEBIFCJ-NRFANRHFSA-N 2 1 358.913 4.413 20 0 FIADMP C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492371739 1119080650 /nfs/dbraw/zinc/08/06/50/1119080650.db2.gz DQPRDTFOJCZCMD-AZUAARDMSA-N 2 1 356.485 4.095 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311633984 1119383155 /nfs/dbraw/zinc/38/31/55/1119383155.db2.gz JRNBNYBUULODQP-NNMXDRDESA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890646 1119393622 /nfs/dbraw/zinc/39/36/22/1119393622.db2.gz DEAUDQNNPMULBG-CVDCTZTESA-N 2 1 350.506 4.184 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000312112553 1119402216 /nfs/dbraw/zinc/40/22/16/1119402216.db2.gz NBTSMUCCBCCROV-CBPXPLCBSA-N 2 1 356.554 4.082 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2ccc(F)cc2)cc1 ZINC000493278482 1119438095 /nfs/dbraw/zinc/43/80/95/1119438095.db2.gz UZLMDJPBKJOYMO-TUNNFDKTSA-N 2 1 356.485 4.386 20 0 FIADMP C[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000494025219 1119526744 /nfs/dbraw/zinc/52/67/44/1119526744.db2.gz AFJRJISIOAATNG-QZTJIDSGSA-N 2 1 364.624 4.341 20 0 FIADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)Cc3cccc(F)c3)CC2)cc1 ZINC001168465477 1119857218 /nfs/dbraw/zinc/85/72/18/1119857218.db2.gz SJGYJKOEPRWQSW-GOSISDBHSA-N 2 1 370.512 4.062 20 0 FIADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001168465833 1119904880 /nfs/dbraw/zinc/90/48/80/1119904880.db2.gz XZVNISSTNRYHRG-BHKIRHMYSA-N 2 1 372.487 4.333 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191144337 1119962905 /nfs/dbraw/zinc/96/29/05/1119962905.db2.gz JYHSQGOJBIKXCA-KRWDZBQOSA-N 2 1 354.542 4.046 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cnn1C(C)(C)C ZINC000191144337 1119962906 /nfs/dbraw/zinc/96/29/06/1119962906.db2.gz JYHSQGOJBIKXCA-KRWDZBQOSA-N 2 1 354.542 4.046 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1csc(Cl)c1 ZINC000191491855 1119979565 /nfs/dbraw/zinc/97/95/65/1119979565.db2.gz AEWWCYJONUAALL-KBXCAEBGSA-N 2 1 364.942 4.209 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc(C)[nH+]3)CC1)CCS2 ZINC000191515730 1119981158 /nfs/dbraw/zinc/98/11/58/1119981158.db2.gz VYDJCEGWTOSKIL-IBGZPJMESA-N 2 1 369.534 4.194 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000192930058 1120090128 /nfs/dbraw/zinc/09/01/28/1120090128.db2.gz OEZJKPQCHABYOO-SFHVURJKSA-N 2 1 350.462 4.053 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000192930058 1120090136 /nfs/dbraw/zinc/09/01/36/1120090136.db2.gz OEZJKPQCHABYOO-SFHVURJKSA-N 2 1 350.462 4.053 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000195133119 1120120750 /nfs/dbraw/zinc/12/07/50/1120120750.db2.gz DNRGUGFLOCQUIM-SIKLNZKXSA-N 2 1 366.505 4.021 20 0 FIADMP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1F ZINC000194733222 1120299188 /nfs/dbraw/zinc/29/91/88/1120299188.db2.gz FCAJLSASZWLTMJ-INIZCTEOSA-N 2 1 372.488 4.053 20 0 FIADMP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000494921800 1120380146 /nfs/dbraw/zinc/38/01/46/1120380146.db2.gz HTJUJMVGVYREGL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000494921800 1120380154 /nfs/dbraw/zinc/38/01/54/1120380154.db2.gz HTJUJMVGVYREGL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000494921800 1120380159 /nfs/dbraw/zinc/38/01/59/1120380159.db2.gz HTJUJMVGVYREGL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000494921800 1120380165 /nfs/dbraw/zinc/38/01/65/1120380165.db2.gz HTJUJMVGVYREGL-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(Cl)cs3)CC2)CC1 ZINC000494978608 1120417570 /nfs/dbraw/zinc/41/75/70/1120417570.db2.gz KDGJDDNUBNIWGG-UHFFFAOYSA-N 2 1 370.006 4.030 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000495002316 1120419960 /nfs/dbraw/zinc/41/99/60/1120419960.db2.gz XVBXEXAQWSTLBJ-GVDBMIGSSA-N 2 1 354.498 4.130 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495105409 1120476965 /nfs/dbraw/zinc/47/69/65/1120476965.db2.gz BRMCMPBXMWGHLH-UTKZUKDTSA-N 2 1 368.569 4.255 20 0 FIADMP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670153970 1120710321 /nfs/dbraw/zinc/71/03/21/1120710321.db2.gz SFLCCHJPFFMXGP-AOIWGVFYSA-N 2 1 363.343 4.433 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000495428797 1120804012 /nfs/dbraw/zinc/80/40/12/1120804012.db2.gz ZOGQLWCOQPYEQL-AWDZXFJFSA-N 2 1 358.570 4.470 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000495428797 1120804020 /nfs/dbraw/zinc/80/40/20/1120804020.db2.gz ZOGQLWCOQPYEQL-AWDZXFJFSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762738589 1120956734 /nfs/dbraw/zinc/95/67/34/1120956734.db2.gz UWSCJGLFGBPKQJ-KGLIPLIRSA-N 2 1 372.326 4.146 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000237185513 1120974485 /nfs/dbraw/zinc/97/44/85/1120974485.db2.gz IMAMSRSIYAQBHB-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000237185513 1120974487 /nfs/dbraw/zinc/97/44/87/1120974487.db2.gz IMAMSRSIYAQBHB-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](c4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000123414414 1121511290 /nfs/dbraw/zinc/51/12/90/1121511290.db2.gz WJGPYBRUPCDHJY-SFTDATJTSA-N 2 1 364.537 4.234 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671741582 1121638455 /nfs/dbraw/zinc/63/84/55/1121638455.db2.gz IBOCSNQJNCMXKA-INIZCTEOSA-N 2 1 365.477 4.157 20 0 FIADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(C)c1OC ZINC000671741413 1121638724 /nfs/dbraw/zinc/63/87/24/1121638724.db2.gz LZKYFLNPQIPMJA-QZTJIDSGSA-N 2 1 362.558 4.187 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741191 1121640095 /nfs/dbraw/zinc/64/00/95/1121640095.db2.gz MGZDQCBWKCNRDH-OAHLLOKOSA-N 2 1 353.466 4.224 20 0 FIADMP CC[NH2+]Cc1cccc(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)c1 ZINC000123903460 1121643567 /nfs/dbraw/zinc/64/35/67/1121643567.db2.gz ZHOHYQNHSARJHN-UHFFFAOYSA-N 2 1 351.494 4.033 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749989 1121709086 /nfs/dbraw/zinc/70/90/86/1121709086.db2.gz CXBNJNLGQMZSSE-BXWFABGCSA-N 2 1 365.477 4.095 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749989 1121709093 /nfs/dbraw/zinc/70/90/93/1121709093.db2.gz CXBNJNLGQMZSSE-BXWFABGCSA-N 2 1 365.477 4.095 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749991 1121709621 /nfs/dbraw/zinc/70/96/21/1121709621.db2.gz CXBNJNLGQMZSSE-JTDSTZFVSA-N 2 1 365.477 4.095 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749991 1121709628 /nfs/dbraw/zinc/70/96/28/1121709628.db2.gz CXBNJNLGQMZSSE-JTDSTZFVSA-N 2 1 365.477 4.095 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1(C)C ZINC001649095864 1121755394 /nfs/dbraw/zinc/75/53/94/1121755394.db2.gz IBWWOABDZNRWBG-VQTJNVASSA-N 2 1 363.977 4.157 20 0 FIADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)O[C@@H](C)C2 ZINC000067668237 1121787271 /nfs/dbraw/zinc/78/72/71/1121787271.db2.gz LXBBCEDRPPVRJG-KRWDZBQOSA-N 2 1 368.521 4.149 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc(C(C)C)cs2)CC1 ZINC000125590607 1121794470 /nfs/dbraw/zinc/79/44/70/1121794470.db2.gz BAKCMRRGYXQTAY-UHFFFAOYSA-N 2 1 372.582 4.088 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805345 1121843080 /nfs/dbraw/zinc/84/30/80/1121843080.db2.gz DOAJZNVWHSFBDK-AEFFLSMTSA-N 2 1 358.505 4.091 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805345 1121843093 /nfs/dbraw/zinc/84/30/93/1121843093.db2.gz DOAJZNVWHSFBDK-AEFFLSMTSA-N 2 1 358.505 4.091 20 0 FIADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)o1 ZINC000125965276 1121888902 /nfs/dbraw/zinc/88/89/02/1121888902.db2.gz UJNYZZXUROXPBK-UHFFFAOYSA-N 2 1 356.510 4.480 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126185224 1121930666 /nfs/dbraw/zinc/93/06/66/1121930666.db2.gz FZZPHGWCKHZKED-XXBNENTESA-N 2 1 374.532 4.028 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000126710073 1121978621 /nfs/dbraw/zinc/97/86/21/1121978621.db2.gz HFOBAWUCHLIZMF-XMSQKQJNSA-N 2 1 372.553 4.114 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3)cc2)C1 ZINC000917006687 1121999338 /nfs/dbraw/zinc/99/93/38/1121999338.db2.gz UMMWCNVMQCAUPH-IEGUWTFLSA-N 2 1 370.512 4.127 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc(C)cc2)cc1 ZINC000166374570 1122090743 /nfs/dbraw/zinc/09/07/43/1122090743.db2.gz WTNCRMQWTIDFEK-MQSCRBSSSA-N 2 1 350.506 4.309 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(C)cc2)cc1 ZINC000166374570 1122090748 /nfs/dbraw/zinc/09/07/48/1122090748.db2.gz WTNCRMQWTIDFEK-MQSCRBSSSA-N 2 1 350.506 4.309 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000128183149 1122202437 /nfs/dbraw/zinc/20/24/37/1122202437.db2.gz KTZMTRLVMRHOAQ-QZTJIDSGSA-N 2 1 353.510 4.149 20 0 FIADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128218921 1122206668 /nfs/dbraw/zinc/20/66/68/1122206668.db2.gz BYVXSPQVESZHNB-HNNXBMFYSA-N 2 1 359.901 4.372 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)[nH+]1 ZINC000497403683 1122211748 /nfs/dbraw/zinc/21/17/48/1122211748.db2.gz KLVZNGCHDFBRAT-KNQAVFIVSA-N 2 1 365.521 4.116 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CCC2)o1 ZINC000542680641 1122269091 /nfs/dbraw/zinc/26/90/91/1122269091.db2.gz CZSNNGDBWXJHHX-JTHBVZDNSA-N 2 1 368.521 4.176 20 0 FIADMP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000128431957 1122289743 /nfs/dbraw/zinc/28/97/43/1122289743.db2.gz UNNHGIYSRRPHMO-JOCHJYFZSA-N 2 1 367.468 4.499 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000129212918 1122556130 /nfs/dbraw/zinc/55/61/30/1122556130.db2.gz IZHBNHSTKIIVDV-IBGZPJMESA-N 2 1 358.917 4.180 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000129212918 1122556134 /nfs/dbraw/zinc/55/61/34/1122556134.db2.gz IZHBNHSTKIIVDV-IBGZPJMESA-N 2 1 358.917 4.180 20 0 FIADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000069160397 1122557886 /nfs/dbraw/zinc/55/78/86/1122557886.db2.gz BMGWHVQTXMJEAS-SFHVURJKSA-N 2 1 374.960 4.023 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000069160397 1122557889 /nfs/dbraw/zinc/55/78/89/1122557889.db2.gz BMGWHVQTXMJEAS-SFHVURJKSA-N 2 1 374.960 4.023 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@H]1c1ccccc1 ZINC000556061252 1122632946 /nfs/dbraw/zinc/63/29/46/1122632946.db2.gz UCXPRJZWZGFYOA-GOTSBHOMSA-N 2 1 364.533 4.160 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@H]1c1ccccc1 ZINC000556061252 1122632947 /nfs/dbraw/zinc/63/29/47/1122632947.db2.gz UCXPRJZWZGFYOA-GOTSBHOMSA-N 2 1 364.533 4.160 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000556076907 1122639118 /nfs/dbraw/zinc/63/91/18/1122639118.db2.gz RFFVNRJDRHDTBW-OALUTQOASA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000556076907 1122639121 /nfs/dbraw/zinc/63/91/21/1122639121.db2.gz RFFVNRJDRHDTBW-OALUTQOASA-N 2 1 359.311 4.374 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H]1c1ccccc1 ZINC000556094303 1122648104 /nfs/dbraw/zinc/64/81/04/1122648104.db2.gz WNMUSVOIXOZIFD-UGKGYDQZSA-N 2 1 351.469 4.275 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H]1c1ccccc1 ZINC000556094303 1122648106 /nfs/dbraw/zinc/64/81/06/1122648106.db2.gz WNMUSVOIXOZIFD-UGKGYDQZSA-N 2 1 351.469 4.275 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104601 1122657697 /nfs/dbraw/zinc/65/76/97/1122657697.db2.gz YWJKDYKEYDDDRR-WIYYLYMNSA-N 2 1 358.913 4.316 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104601 1122657701 /nfs/dbraw/zinc/65/77/01/1122657701.db2.gz YWJKDYKEYDDDRR-WIYYLYMNSA-N 2 1 358.913 4.316 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)oc1C ZINC000129853372 1122704459 /nfs/dbraw/zinc/70/44/59/1122704459.db2.gz BGXBKYTWXFTWQN-IRXDYDNUSA-N 2 1 373.463 4.214 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000556228698 1122745281 /nfs/dbraw/zinc/74/52/81/1122745281.db2.gz DJEOUPBNTXESJZ-OCCSQVGLSA-N 2 1 373.766 4.452 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000556237256 1122754469 /nfs/dbraw/zinc/75/44/69/1122754469.db2.gz BSQIKTJAEZGEFC-JOCHJYFZSA-N 3 1 372.532 4.174 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000556257787 1122767510 /nfs/dbraw/zinc/76/75/10/1122767510.db2.gz MYLFEMPRFVYEBK-UTKZUKDTSA-N 2 1 372.940 4.391 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1Cl ZINC000556257787 1122767515 /nfs/dbraw/zinc/76/75/15/1122767515.db2.gz MYLFEMPRFVYEBK-UTKZUKDTSA-N 2 1 372.940 4.391 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000556263525 1122773020 /nfs/dbraw/zinc/77/30/20/1122773020.db2.gz ZMPNRNZFPOYXLP-SBOSXTITSA-N 2 1 358.570 4.351 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000498836672 1123039823 /nfs/dbraw/zinc/03/98/23/1123039823.db2.gz QQTNQZPBBUUSCO-GOSISDBHSA-N 2 1 350.547 4.362 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000498836672 1123039826 /nfs/dbraw/zinc/03/98/26/1123039826.db2.gz QQTNQZPBBUUSCO-GOSISDBHSA-N 2 1 350.547 4.362 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868734 1123149820 /nfs/dbraw/zinc/14/98/20/1123149820.db2.gz BTXXJEGSSDPJQC-KBXCAEBGSA-N 2 1 356.432 4.358 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOc2ccccc2)C3)cc1 ZINC000499145308 1123287336 /nfs/dbraw/zinc/28/73/36/1123287336.db2.gz FXXUMCINPJSLIS-KOUNCHBCSA-N 2 1 350.506 4.241 20 0 FIADMP CN(CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499146006 1123287802 /nfs/dbraw/zinc/28/78/02/1123287802.db2.gz IYAJIMFFOSHVNT-VILGAWFOSA-N 2 1 363.549 4.298 20 0 FIADMP Fc1ccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000499148182 1123292076 /nfs/dbraw/zinc/29/20/76/1123292076.db2.gz CAUPGXVCWGFVSM-REPLKXPHSA-N 2 1 372.459 4.129 20 0 FIADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499214776 1123331112 /nfs/dbraw/zinc/33/11/12/1123331112.db2.gz CUZVSYPRKASBPL-BXXSPATCSA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499214776 1123331113 /nfs/dbraw/zinc/33/11/13/1123331113.db2.gz CUZVSYPRKASBPL-BXXSPATCSA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499214776 1123331117 /nfs/dbraw/zinc/33/11/17/1123331117.db2.gz CUZVSYPRKASBPL-BXXSPATCSA-N 2 1 355.570 4.036 20 0 FIADMP O[C@@H]1CCCC[C@H]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499218596 1123332762 /nfs/dbraw/zinc/33/27/62/1123332762.db2.gz YPJYKMJERIHLGH-USWKJHDZSA-N 2 1 356.554 4.103 20 0 FIADMP Fc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1F ZINC000499218922 1123334199 /nfs/dbraw/zinc/33/41/99/1123334199.db2.gz ZIZCTOMDVNGEJX-OWZKRDHZSA-N 2 1 356.460 4.293 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH+]3CCCC3)cc2)C1 ZINC000920768943 1123517921 /nfs/dbraw/zinc/51/79/21/1123517921.db2.gz MBHNAFSSQYFKGP-LJQANCHMSA-N 2 1 357.542 4.123 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000076003658 1123551768 /nfs/dbraw/zinc/55/17/68/1123551768.db2.gz MXILVDGRHNXBQX-HXUWFJFHSA-N 2 1 365.521 4.103 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000076003658 1123551770 /nfs/dbraw/zinc/55/17/70/1123551770.db2.gz MXILVDGRHNXBQX-HXUWFJFHSA-N 2 1 365.521 4.103 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000076003656 1123551923 /nfs/dbraw/zinc/55/19/23/1123551923.db2.gz MXILVDGRHNXBQX-FQEVSTJZSA-N 2 1 365.521 4.103 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000076003656 1123551928 /nfs/dbraw/zinc/55/19/28/1123551928.db2.gz MXILVDGRHNXBQX-FQEVSTJZSA-N 2 1 365.521 4.103 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237051369 1123592462 /nfs/dbraw/zinc/59/24/62/1123592462.db2.gz QDEOZCLROIEXLO-PMACEKPBSA-N 2 1 374.960 4.164 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000237398559 1123626958 /nfs/dbraw/zinc/62/69/58/1123626958.db2.gz LVAIGXBYWIZRGV-INIZCTEOSA-N 2 1 374.960 4.023 20 0 FIADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237447083 1123631204 /nfs/dbraw/zinc/63/12/04/1123631204.db2.gz MRFDVIZLHGCYMK-OAHLLOKOSA-N 2 1 359.901 4.022 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000080339107 1123963359 /nfs/dbraw/zinc/96/33/59/1123963359.db2.gz NJRHKRHPRCUNHM-UZLBHIALSA-N 2 1 364.493 4.121 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000245418583 1124027058 /nfs/dbraw/zinc/02/70/58/1124027058.db2.gz AXIZPLLVOSFBPW-ZWKOTPCHSA-N 2 1 370.562 4.480 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000245418583 1124027064 /nfs/dbraw/zinc/02/70/64/1124027064.db2.gz AXIZPLLVOSFBPW-ZWKOTPCHSA-N 2 1 370.562 4.480 20 0 FIADMP CCO[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C12CCC2 ZINC000179955892 1124162953 /nfs/dbraw/zinc/16/29/53/1124162953.db2.gz OYFMLYYHBBRZIH-YADHBBJMSA-N 2 1 371.569 4.224 20 0 FIADMP CCO[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C12CCC2 ZINC000179955844 1124162967 /nfs/dbraw/zinc/16/29/67/1124162967.db2.gz OYFMLYYHBBRZIH-FCHUYYIVSA-N 2 1 371.569 4.224 20 0 FIADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245651386 1124167333 /nfs/dbraw/zinc/16/73/33/1124167333.db2.gz CNHDYIIOFQGEGT-IITNATTFSA-N 2 1 364.533 4.499 20 0 FIADMP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245651653 1124167515 /nfs/dbraw/zinc/16/75/15/1124167515.db2.gz BHXQWEUJMWDECT-XXBNENTESA-N 2 1 366.553 4.246 20 0 FIADMP CCCC[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245684355 1124194866 /nfs/dbraw/zinc/19/48/66/1124194866.db2.gz JICGCDBRVKWLGJ-NUNAXRQHSA-N 2 1 355.570 4.036 20 0 FIADMP CCCC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245684362 1124195058 /nfs/dbraw/zinc/19/50/58/1124195058.db2.gz JICGCDBRVKWLGJ-WBDAEOGXSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000616026160 1124205019 /nfs/dbraw/zinc/20/50/19/1124205019.db2.gz RBZYNDVXVNFSQB-HZPDHXFCSA-N 2 1 360.933 4.188 20 0 FIADMP OCCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245737501 1124228808 /nfs/dbraw/zinc/22/88/08/1124228808.db2.gz RAFRUBAGZDADFU-KIHHCIJBSA-N 2 1 364.533 4.285 20 0 FIADMP COCc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1F ZINC000245769861 1124246269 /nfs/dbraw/zinc/24/62/69/1124246269.db2.gz XABLBCUBMJHQEH-DKUWSORSSA-N 2 1 368.496 4.257 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474791910 1124344282 /nfs/dbraw/zinc/34/42/82/1124344282.db2.gz KLZVFVBDSJFSTH-GTPINHCMSA-N 2 1 364.496 4.223 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000542846556 1124442571 /nfs/dbraw/zinc/44/25/71/1124442571.db2.gz MMANULMQIAYGLM-XMSQKQJNSA-N 2 1 370.512 4.250 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2c(s1)CCCC2 ZINC000542845589 1124446687 /nfs/dbraw/zinc/44/66/87/1124446687.db2.gz DAVXVJDWKWCNOP-UZLBHIALSA-N 2 1 370.562 4.044 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1 ZINC000060526662 1124571100 /nfs/dbraw/zinc/57/11/00/1124571100.db2.gz RCHSSKJISGDEBF-FQEVSTJZSA-N 2 1 374.532 4.279 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000246916805 1124573159 /nfs/dbraw/zinc/57/31/59/1124573159.db2.gz GCCWQQHCIPLPHZ-HSALFYBXSA-N 2 1 367.537 4.289 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018959 1124582702 /nfs/dbraw/zinc/58/27/02/1124582702.db2.gz LRXCPYHSDMVZSG-PKOBYXMFSA-N 2 1 369.509 4.235 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000247194333 1124597513 /nfs/dbraw/zinc/59/75/13/1124597513.db2.gz UPNZHEWABIMSLW-LMVRJCEZSA-N 2 1 354.542 4.271 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)CCO1 ZINC000247211098 1124599088 /nfs/dbraw/zinc/59/90/88/1124599088.db2.gz WYVRWCNRXBRBIT-JPYJTQIMSA-N 2 1 350.506 4.075 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)CCO1 ZINC000247211098 1124599092 /nfs/dbraw/zinc/59/90/92/1124599092.db2.gz WYVRWCNRXBRBIT-JPYJTQIMSA-N 2 1 350.506 4.075 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000248168507 1124748934 /nfs/dbraw/zinc/74/89/34/1124748934.db2.gz UFUJQNMTDIWFTG-BSIFCXSSSA-N 2 1 356.535 4.417 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC2 ZINC000248168507 1124748939 /nfs/dbraw/zinc/74/89/39/1124748939.db2.gz UFUJQNMTDIWFTG-BSIFCXSSSA-N 2 1 356.535 4.417 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)s1 ZINC000248432654 1124767029 /nfs/dbraw/zinc/76/70/29/1124767029.db2.gz COTXKUFKHXLLSY-PBHICJAKSA-N 2 1 364.942 4.209 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000248458535 1124772493 /nfs/dbraw/zinc/77/24/93/1124772493.db2.gz UVIHBJFPTVXANJ-FGZHOGPDSA-N 2 1 370.924 4.148 20 0 FIADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000249255950 1124851637 /nfs/dbraw/zinc/85/16/37/1124851637.db2.gz GNCKJSMCLYBNJU-GUDVDZBRSA-N 2 1 354.460 4.262 20 0 FIADMP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000089703435 1124929276 /nfs/dbraw/zinc/92/92/76/1124929276.db2.gz UVBAYVYRNFTYPJ-ORAYPTAESA-N 2 1 369.336 4.071 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089701113 1124929459 /nfs/dbraw/zinc/92/94/59/1124929459.db2.gz VXKBUVNLLBCEMA-SFHVURJKSA-N 2 1 357.325 4.071 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1OC(F)F ZINC000090586075 1125005692 /nfs/dbraw/zinc/00/56/92/1125005692.db2.gz DVJCTGBNIQSERQ-JKSUJKDBSA-N 2 1 370.484 4.315 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091346658 1125067519 /nfs/dbraw/zinc/06/75/19/1125067519.db2.gz ADEISAPMEXEUEY-SFHVURJKSA-N 2 1 362.315 4.475 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C(C)C)cc1 ZINC000091368009 1125068533 /nfs/dbraw/zinc/06/85/33/1125068533.db2.gz HEBUEKPUGXEHTQ-JOCHJYFZSA-N 2 1 368.525 4.058 20 0 FIADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1csc(C2CC2)n1 ZINC000092821526 1125245132 /nfs/dbraw/zinc/24/51/32/1125245132.db2.gz XRTPFINMJOQSID-UHFFFAOYSA-N 2 1 356.539 4.154 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1csc(C2CC2)n1 ZINC000092821526 1125245137 /nfs/dbraw/zinc/24/51/37/1125245137.db2.gz XRTPFINMJOQSID-UHFFFAOYSA-N 2 1 356.539 4.154 20 0 FIADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564027 1125439716 /nfs/dbraw/zinc/43/97/16/1125439716.db2.gz APADBKOAYPXXGO-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564027 1125439718 /nfs/dbraw/zinc/43/97/18/1125439718.db2.gz APADBKOAYPXXGO-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564075 1125439777 /nfs/dbraw/zinc/43/97/77/1125439777.db2.gz CNXIQSATOWEGNR-HXUWFJFHSA-N 2 1 370.516 4.079 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564075 1125439782 /nfs/dbraw/zinc/43/97/82/1125439782.db2.gz CNXIQSATOWEGNR-HXUWFJFHSA-N 2 1 370.516 4.079 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000521431714 568047707 /nfs/dbraw/zinc/04/77/07/568047707.db2.gz MSWXIJIEHAMRBR-LJQANCHMSA-N 2 1 365.606 4.000 20 0 FIADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)c4ccccc34)C2)C1 ZINC000644843132 568186383 /nfs/dbraw/zinc/18/63/83/568186383.db2.gz QOIWTKZWRNNYJY-DEOSSOPVSA-N 2 1 359.517 4.217 20 0 FIADMP CCCOc1ccc(Br)cc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000314994257 568349527 /nfs/dbraw/zinc/34/95/27/568349527.db2.gz ZZUKUONGSIFFMT-OAHLLOKOSA-N 2 1 369.347 4.058 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000314994257 568349528 /nfs/dbraw/zinc/34/95/28/568349528.db2.gz ZZUKUONGSIFFMT-OAHLLOKOSA-N 2 1 369.347 4.058 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000314994257 568349529 /nfs/dbraw/zinc/34/95/29/568349529.db2.gz ZZUKUONGSIFFMT-OAHLLOKOSA-N 2 1 369.347 4.058 20 0 FIADMP Cc1noc(C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2ccccc2)n1 ZINC000365291814 568423913 /nfs/dbraw/zinc/42/39/13/568423913.db2.gz UYQNZUZYONQIAQ-NRFANRHFSA-N 2 1 368.525 4.049 20 0 FIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165049185 721978273 /nfs/dbraw/zinc/97/82/73/721978273.db2.gz ICDNWORHQYDHTF-FGZHOGPDSA-N 2 1 370.585 4.473 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000619772563 1125701003 /nfs/dbraw/zinc/70/10/03/1125701003.db2.gz OVMCUPUJBLFYRS-FQEVSTJZSA-N 2 1 374.532 4.361 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101435 1125747300 /nfs/dbraw/zinc/74/73/00/1125747300.db2.gz VUXUNZYCZJWJEN-KBPBESRZSA-N 2 1 358.498 4.478 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101435 1125747307 /nfs/dbraw/zinc/74/73/07/1125747307.db2.gz VUXUNZYCZJWJEN-KBPBESRZSA-N 2 1 358.498 4.478 20 0 FIADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)o2)cc1 ZINC000617867784 1079631531 /nfs/dbraw/zinc/63/15/31/1079631531.db2.gz CAWAHMXNKJDDFU-IBGZPJMESA-N 2 1 370.493 4.039 20 0 FIADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)o2)cc1 ZINC000617867784 1079631533 /nfs/dbraw/zinc/63/15/33/1079631533.db2.gz CAWAHMXNKJDDFU-IBGZPJMESA-N 2 1 370.493 4.039 20 0 FIADMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000643546910 1079671995 /nfs/dbraw/zinc/67/19/95/1079671995.db2.gz WTEUMJHQEUMOAH-IEBWSBKVSA-N 2 1 352.526 4.123 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180641397 1080532301 /nfs/dbraw/zinc/53/23/01/1080532301.db2.gz INDRUXXDXQPIQO-SFTDATJTSA-N 2 1 358.913 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069294 1080581292 /nfs/dbraw/zinc/58/12/92/1080581292.db2.gz UZTIVSBMEHIAJC-LLGFUMIMSA-N 2 1 351.494 4.072 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069294 1080581300 /nfs/dbraw/zinc/58/13/00/1080581300.db2.gz UZTIVSBMEHIAJC-LLGFUMIMSA-N 2 1 351.494 4.072 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000120282883 1080586337 /nfs/dbraw/zinc/58/63/37/1080586337.db2.gz TWUTZDFZXLVVSE-UHFFFAOYSA-N 2 1 370.928 4.357 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c1 ZINC000120282883 1080586344 /nfs/dbraw/zinc/58/63/44/1080586344.db2.gz TWUTZDFZXLVVSE-UHFFFAOYSA-N 2 1 370.928 4.357 20 0 FIADMP C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683347301 1080700155 /nfs/dbraw/zinc/70/01/55/1080700155.db2.gz OBRMVIJNJREULN-DWOCFRCJSA-N 2 1 358.570 4.470 20 0 FIADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655704709 1081126402 /nfs/dbraw/zinc/12/64/02/1081126402.db2.gz IUWYVZYBOFSYAG-HXUWFJFHSA-N 2 1 364.961 4.241 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000655719947 1081133523 /nfs/dbraw/zinc/13/35/23/1081133523.db2.gz XSXVFXLYSCYSCE-JPYJTQIMSA-N 2 1 365.521 4.043 20 0 FIADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655731758 1081150408 /nfs/dbraw/zinc/15/04/08/1081150408.db2.gz ZBSCOHXNWOBJJA-IDCXYZFESA-N 2 1 362.945 4.270 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655745314 1081164927 /nfs/dbraw/zinc/16/49/27/1081164927.db2.gz LOVPWDGVOWJESO-WMZHIEFXSA-N 2 1 371.569 4.116 20 0 FIADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000655751690 1081169105 /nfs/dbraw/zinc/16/91/05/1081169105.db2.gz QESOJOWMLPHGGX-GOTSBHOMSA-N 2 1 364.533 4.037 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758096 1081174126 /nfs/dbraw/zinc/17/41/26/1081174126.db2.gz QKGQYRIWJLSBCE-ICSRJNTNSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758096 1081174130 /nfs/dbraw/zinc/17/41/30/1081174130.db2.gz QKGQYRIWJLSBCE-ICSRJNTNSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758096 1081174133 /nfs/dbraw/zinc/17/41/33/1081174133.db2.gz QKGQYRIWJLSBCE-ICSRJNTNSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000121006529 1081175706 /nfs/dbraw/zinc/17/57/06/1081175706.db2.gz AGJJUROXHFKQON-UHFFFAOYSA-N 2 1 364.493 4.041 20 0 FIADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1Cl ZINC000655773344 1081183350 /nfs/dbraw/zinc/18/33/50/1081183350.db2.gz WOAPNSSIGOSURI-FXAWDEMLSA-N 2 1 366.908 4.163 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001648816713 1081237261 /nfs/dbraw/zinc/23/72/61/1081237261.db2.gz FOMULYBCBFPCOJ-HNNXBMFYSA-N 2 1 353.348 4.359 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000121498678 1081242459 /nfs/dbraw/zinc/24/24/59/1081242459.db2.gz DUQIOJREXKEVCD-VXGBXAGGSA-N 2 1 357.832 4.433 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121414948 1081243505 /nfs/dbraw/zinc/24/35/05/1081243505.db2.gz KIEKLUHLJCMYNI-IRXDYDNUSA-N 2 1 371.529 4.052 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000655850514 1081258762 /nfs/dbraw/zinc/25/87/62/1081258762.db2.gz KBGOLUFVZYXTJR-HQRMLTQVSA-N 2 1 358.526 4.152 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)[C@H]1c1cccs1 ZINC000683770588 1081530713 /nfs/dbraw/zinc/53/07/13/1081530713.db2.gz JPMRMSGEQUNPGX-CTNGQTDRSA-N 2 1 351.519 4.469 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)[C@H]1c1cccs1 ZINC000683770588 1081530715 /nfs/dbraw/zinc/53/07/15/1081530715.db2.gz JPMRMSGEQUNPGX-CTNGQTDRSA-N 2 1 351.519 4.469 20 0 FIADMP c1nc(C2CC2)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000683774701 1081539863 /nfs/dbraw/zinc/53/98/63/1081539863.db2.gz IVKPMDJKVPSACU-SLFFLAALSA-N 2 1 367.562 4.411 20 0 FIADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CC[NH+](C)C3CCCCC3)c2C1 ZINC000548064173 1081617205 /nfs/dbraw/zinc/61/72/05/1081617205.db2.gz OHEFAQOANKNYPW-UHFFFAOYSA-N 2 1 357.542 4.251 20 0 FIADMP CC(C)C[NH+]1Cc2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2C1 ZINC000548064173 1081617211 /nfs/dbraw/zinc/61/72/11/1081617211.db2.gz OHEFAQOANKNYPW-UHFFFAOYSA-N 2 1 357.542 4.251 20 0 FIADMP CC(C)C[NH+]1Cc2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2C1 ZINC000548064173 1081617214 /nfs/dbraw/zinc/61/72/14/1081617214.db2.gz OHEFAQOANKNYPW-UHFFFAOYSA-N 2 1 357.542 4.251 20 0 FIADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353575 1081878055 /nfs/dbraw/zinc/87/80/55/1081878055.db2.gz KIBRCJUFMSCEBM-DYESRHJHSA-N 2 1 353.466 4.158 20 0 FIADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353575 1081878058 /nfs/dbraw/zinc/87/80/58/1081878058.db2.gz KIBRCJUFMSCEBM-DYESRHJHSA-N 2 1 353.466 4.158 20 0 FIADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000580346020 1081879415 /nfs/dbraw/zinc/87/94/15/1081879415.db2.gz WTLBJUYHQYNKSD-FGTMMUONSA-N 2 1 352.526 4.114 20 0 FIADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000580346020 1081879422 /nfs/dbraw/zinc/87/94/22/1081879422.db2.gz WTLBJUYHQYNKSD-FGTMMUONSA-N 2 1 352.526 4.114 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000580363662 1081900978 /nfs/dbraw/zinc/90/09/78/1081900978.db2.gz IIIYFFMEPSFBGB-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000580363662 1081900980 /nfs/dbraw/zinc/90/09/80/1081900980.db2.gz IIIYFFMEPSFBGB-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000580363662 1081900985 /nfs/dbraw/zinc/90/09/85/1081900985.db2.gz IIIYFFMEPSFBGB-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000580363662 1081900987 /nfs/dbraw/zinc/90/09/87/1081900987.db2.gz IIIYFFMEPSFBGB-OFNKIYASSA-N 2 1 351.538 4.308 20 0 FIADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483652 1081970513 /nfs/dbraw/zinc/97/05/13/1081970513.db2.gz OPBCYJSMHOUWQX-FPOVZHCZSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483652 1081970515 /nfs/dbraw/zinc/97/05/15/1081970515.db2.gz OPBCYJSMHOUWQX-FPOVZHCZSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483652 1081970520 /nfs/dbraw/zinc/97/05/20/1081970520.db2.gz OPBCYJSMHOUWQX-FPOVZHCZSA-N 2 1 351.494 4.098 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471587557 1081990618 /nfs/dbraw/zinc/99/06/18/1081990618.db2.gz UXGYZESDJYSONP-LBVMUVSTSA-N 2 1 351.538 4.103 20 0 FIADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471587557 1081990621 /nfs/dbraw/zinc/99/06/21/1081990621.db2.gz UXGYZESDJYSONP-LBVMUVSTSA-N 2 1 351.538 4.103 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312930600 1082047692 /nfs/dbraw/zinc/04/76/92/1082047692.db2.gz DYEVDFIELPYJCI-CMKODMSKSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312930600 1082047697 /nfs/dbraw/zinc/04/76/97/1082047697.db2.gz DYEVDFIELPYJCI-CMKODMSKSA-N 2 1 368.521 4.265 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000557842601 1082258791 /nfs/dbraw/zinc/25/87/91/1082258791.db2.gz CQGVXMYQCOYLTJ-UHFFFAOYSA-N 2 1 366.553 4.376 20 0 FIADMP C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155451 1082391156 /nfs/dbraw/zinc/39/11/56/1082391156.db2.gz GJXIFIJBSRRMAA-CTNGQTDRSA-N 2 1 352.522 4.344 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CCCCCC1 ZINC000510389115 1082470519 /nfs/dbraw/zinc/47/05/19/1082470519.db2.gz NUKMAMBTSNPFIZ-RTBURBONSA-N 2 1 357.542 4.122 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574977 1082672158 /nfs/dbraw/zinc/67/21/58/1082672158.db2.gz WQRRPOGTESFBRC-CVDCTZTESA-N 2 1 352.522 4.223 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000581681772 1082796950 /nfs/dbraw/zinc/79/69/50/1082796950.db2.gz HTVVTVBJLZIPHV-MSOLQXFVSA-N 2 1 370.459 4.042 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755901 1082872409 /nfs/dbraw/zinc/87/24/09/1082872409.db2.gz KRLPLTAAIWRVSC-SFGWALBWSA-N 2 1 370.562 4.179 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755901 1082872416 /nfs/dbraw/zinc/87/24/16/1082872416.db2.gz KRLPLTAAIWRVSC-SFGWALBWSA-N 2 1 370.562 4.179 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000581973061 1083120695 /nfs/dbraw/zinc/12/06/95/1083120695.db2.gz VVVHOVOPPBZOAK-ZFOVBUMHSA-N 2 1 352.469 4.401 20 0 FIADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1ccccc1 ZINC000092253834 1083366374 /nfs/dbraw/zinc/36/63/74/1083366374.db2.gz ZEIRWKSBYAJOSG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1ccccc1 ZINC000092253834 1083366382 /nfs/dbraw/zinc/36/63/82/1083366382.db2.gz ZEIRWKSBYAJOSG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000092253834 1083366393 /nfs/dbraw/zinc/36/63/93/1083366393.db2.gz ZEIRWKSBYAJOSG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000092253834 1083366404 /nfs/dbraw/zinc/36/64/04/1083366404.db2.gz ZEIRWKSBYAJOSG-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317929 1083404719 /nfs/dbraw/zinc/40/47/19/1083404719.db2.gz NZKLWAFMQJTBKB-CTNGQTDRSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317929 1083404723 /nfs/dbraw/zinc/40/47/23/1083404723.db2.gz NZKLWAFMQJTBKB-CTNGQTDRSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317929 1083404725 /nfs/dbraw/zinc/40/47/25/1083404725.db2.gz NZKLWAFMQJTBKB-CTNGQTDRSA-N 2 1 374.532 4.287 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000658319515 1083407065 /nfs/dbraw/zinc/40/70/65/1083407065.db2.gz DSRAMHYCPDJCHQ-LPHOPBHVSA-N 2 1 355.551 4.404 20 0 FIADMP C[C@H]([NH2+]CCc1nsc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658318605 1083407093 /nfs/dbraw/zinc/40/70/93/1083407093.db2.gz QQQXTHFNBGCCGN-HKUYNNGSSA-N 2 1 365.546 4.339 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320350 1083407913 /nfs/dbraw/zinc/40/79/13/1083407913.db2.gz SPAGBBHRCUASOG-CVDCTZTESA-N 2 1 364.533 4.132 20 0 FIADMP Cc1ccncc1CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000581995698 1083444021 /nfs/dbraw/zinc/44/40/21/1083444021.db2.gz WFKGUMYLWPNVGQ-XMMPIXPASA-N 2 1 363.549 4.311 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000581995698 1083444024 /nfs/dbraw/zinc/44/40/24/1083444024.db2.gz WFKGUMYLWPNVGQ-XMMPIXPASA-N 2 1 363.549 4.311 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000581995698 1083444034 /nfs/dbraw/zinc/44/40/34/1083444034.db2.gz WFKGUMYLWPNVGQ-XMMPIXPASA-N 2 1 363.549 4.311 20 0 FIADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958698 1083535610 /nfs/dbraw/zinc/53/56/10/1083535610.db2.gz MNUCLERCYAQJFT-SIKLNZKXSA-N 2 1 368.569 4.285 20 0 FIADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958698 1083535616 /nfs/dbraw/zinc/53/56/16/1083535616.db2.gz MNUCLERCYAQJFT-SIKLNZKXSA-N 2 1 368.569 4.285 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000236610480 1083821385 /nfs/dbraw/zinc/82/13/85/1083821385.db2.gz LFKULFXLIDVRJL-GOSISDBHSA-N 2 1 374.960 4.353 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000236610480 1083821390 /nfs/dbraw/zinc/82/13/90/1083821390.db2.gz LFKULFXLIDVRJL-GOSISDBHSA-N 2 1 374.960 4.353 20 0 FIADMP Cc1cnn(CCCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000548932288 1083837079 /nfs/dbraw/zinc/83/70/79/1083837079.db2.gz YQCYDJBIXMGNDW-QFIPXVFZSA-N 2 1 368.569 4.252 20 0 FIADMP Cc1cnn(CCCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000548932288 1083837088 /nfs/dbraw/zinc/83/70/88/1083837088.db2.gz YQCYDJBIXMGNDW-QFIPXVFZSA-N 2 1 368.569 4.252 20 0 FIADMP CCc1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000092373875 1083925742 /nfs/dbraw/zinc/92/57/42/1083925742.db2.gz OUXGSPSBHMCXOT-UHFFFAOYSA-N 2 1 354.542 4.037 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c2C1 ZINC000236721036 1083972794 /nfs/dbraw/zinc/97/27/94/1083972794.db2.gz LAPMCMBFUCWNNV-FQEVSTJZSA-N 2 1 351.494 4.077 20 0 FIADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](CC3OC=CC3=S)C[C@H]2CC1 ZINC001279692843 1084092742 /nfs/dbraw/zinc/09/27/42/1084092742.db2.gz NHWNNTLNXFRMLN-OKILXGFUSA-N 2 1 362.461 4.055 20 0 FIADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](CC3OC=CC3=S)C[C@H]2CC1 ZINC001279692843 1084092751 /nfs/dbraw/zinc/09/27/51/1084092751.db2.gz NHWNNTLNXFRMLN-OKILXGFUSA-N 2 1 362.461 4.055 20 0 FIADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](CC3OC=CC3=S)C[C@H]2CC1 ZINC001279692843 1084092762 /nfs/dbraw/zinc/09/27/62/1084092762.db2.gz NHWNNTLNXFRMLN-OKILXGFUSA-N 2 1 362.461 4.055 20 0 FIADMP CCn1nc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)c2ccccc21 ZINC000472042844 1084166554 /nfs/dbraw/zinc/16/65/54/1084166554.db2.gz MHHVUOJVHLZDHN-UHFFFAOYSA-N 2 1 350.510 4.188 20 0 FIADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000647497472 1084252016 /nfs/dbraw/zinc/25/20/16/1084252016.db2.gz JASCIHQLEGBKIN-VQIMIIECSA-N 2 1 366.534 4.160 20 0 FIADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000647497472 1084252024 /nfs/dbraw/zinc/25/20/24/1084252024.db2.gz JASCIHQLEGBKIN-VQIMIIECSA-N 2 1 366.534 4.160 20 0 FIADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000647497469 1084252861 /nfs/dbraw/zinc/25/28/61/1084252861.db2.gz JASCIHQLEGBKIN-APWZRJJASA-N 2 1 366.534 4.160 20 0 FIADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000647497469 1084252872 /nfs/dbraw/zinc/25/28/72/1084252872.db2.gz JASCIHQLEGBKIN-APWZRJJASA-N 2 1 366.534 4.160 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492483 1084289004 /nfs/dbraw/zinc/28/90/04/1084289004.db2.gz BWBUSUFEKKJEDL-OAHLLOKOSA-N 2 1 357.325 4.036 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000472492470 1084289126 /nfs/dbraw/zinc/28/91/26/1084289126.db2.gz BWBUSUFEKKJEDL-HNNXBMFYSA-N 2 1 357.325 4.036 20 0 FIADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H](CCO)c1ccccc1 ZINC001167544464 1084548438 /nfs/dbraw/zinc/54/84/38/1084548438.db2.gz NQWXCQPPRGIIRP-HSZRJFAPSA-N 2 1 352.522 4.228 20 0 FIADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000511065704 1084564644 /nfs/dbraw/zinc/56/46/44/1084564644.db2.gz OZLYIISZGRIIRV-OBGWFSINSA-N 2 1 365.521 4.198 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366241 1084750083 /nfs/dbraw/zinc/75/00/83/1084750083.db2.gz KHBWHTXLBOMYTL-GDAAHCPNSA-N 2 1 370.459 4.245 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366241 1084750091 /nfs/dbraw/zinc/75/00/91/1084750091.db2.gz KHBWHTXLBOMYTL-GDAAHCPNSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000414184545 1084762400 /nfs/dbraw/zinc/76/24/00/1084762400.db2.gz NZDMNHRDGNXDMQ-DYESRHJHSA-N 2 1 357.929 4.340 20 0 FIADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373944 1084794987 /nfs/dbraw/zinc/79/49/87/1084794987.db2.gz AZDUGIDHGSKEMT-YJBOKZPZSA-N 2 1 350.553 4.129 20 0 FIADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373944 1084794995 /nfs/dbraw/zinc/79/49/95/1084794995.db2.gz AZDUGIDHGSKEMT-YJBOKZPZSA-N 2 1 350.553 4.129 20 0 FIADMP Fc1cccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001167559093 1084818662 /nfs/dbraw/zinc/81/86/62/1084818662.db2.gz XGAOFVILMYMYET-HSZRJFAPSA-N 2 1 352.497 4.356 20 0 FIADMP Fc1cccc(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC001167559093 1084818670 /nfs/dbraw/zinc/81/86/70/1084818670.db2.gz XGAOFVILMYMYET-HSZRJFAPSA-N 2 1 352.497 4.356 20 0 FIADMP Fc1cccc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001167559093 1084818675 /nfs/dbraw/zinc/81/86/75/1084818675.db2.gz XGAOFVILMYMYET-HSZRJFAPSA-N 2 1 352.497 4.356 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000613491179 1084820721 /nfs/dbraw/zinc/82/07/21/1084820721.db2.gz JGCXLTJAPOMHTM-UHFFFAOYSA-N 2 1 353.348 4.393 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccncc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000657388133 1084843381 /nfs/dbraw/zinc/84/33/81/1084843381.db2.gz FTCPOYQZUQMAMO-APWZRJJASA-N 2 1 351.519 4.439 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccncc3s2)CC[N@H+]1Cc1ccccc1 ZINC000657388133 1084843383 /nfs/dbraw/zinc/84/33/83/1084843383.db2.gz FTCPOYQZUQMAMO-APWZRJJASA-N 2 1 351.519 4.439 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1cn2ccccc2n1 ZINC000559902663 1084912273 /nfs/dbraw/zinc/91/22/73/1084912273.db2.gz IZFBWMRJRVBPAG-IBGZPJMESA-N 2 1 362.521 4.417 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582438743 1084999519 /nfs/dbraw/zinc/99/95/19/1084999519.db2.gz BBPHOFHFLGNGJW-DPLHUUCSSA-N 2 1 366.549 4.482 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC000657431179 1085010707 /nfs/dbraw/zinc/01/07/07/1085010707.db2.gz YAJJEAYNPUURIE-XMMPIXPASA-N 2 1 364.533 4.201 20 0 FIADMP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000582577923 1085186335 /nfs/dbraw/zinc/18/63/35/1085186335.db2.gz FKVJNRAJCMCGMQ-DENIHFKCSA-N 2 1 361.618 4.107 20 0 FIADMP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577923 1085186341 /nfs/dbraw/zinc/18/63/41/1085186341.db2.gz FKVJNRAJCMCGMQ-DENIHFKCSA-N 3 1 361.618 4.107 20 0 FIADMP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000582577923 1085186348 /nfs/dbraw/zinc/18/63/48/1085186348.db2.gz FKVJNRAJCMCGMQ-DENIHFKCSA-N 3 1 361.618 4.107 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000048750403 1085191965 /nfs/dbraw/zinc/19/19/65/1085191965.db2.gz XGSXCKBUONMVFG-UHFFFAOYSA-N 2 1 352.463 4.241 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000582618815 1085259328 /nfs/dbraw/zinc/25/93/28/1085259328.db2.gz AWWUWTNXSMGUKR-OAQYLSRUSA-N 2 1 357.542 4.112 20 0 FIADMP CSC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671368 1085291250 /nfs/dbraw/zinc/29/12/50/1085291250.db2.gz JKMSCOCXOMTCBH-IKGGRYGDSA-N 2 1 358.473 4.326 20 0 FIADMP CSC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671368 1085291257 /nfs/dbraw/zinc/29/12/57/1085291257.db2.gz JKMSCOCXOMTCBH-IKGGRYGDSA-N 2 1 358.473 4.326 20 0 FIADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684954697 1085299842 /nfs/dbraw/zinc/29/98/42/1085299842.db2.gz CRLMXRLSXFZDRM-XMSQKQJNSA-N 2 1 368.496 4.323 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000684957855 1085313067 /nfs/dbraw/zinc/31/30/67/1085313067.db2.gz YXUFDEPDTZDEQF-QFIPXVFZSA-N 2 1 361.489 4.474 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421852773 1085391731 /nfs/dbraw/zinc/39/17/31/1085391731.db2.gz ISRNSHUIJSUTPU-GGAORHGYSA-N 2 1 363.549 4.219 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421852773 1085391735 /nfs/dbraw/zinc/39/17/35/1085391735.db2.gz ISRNSHUIJSUTPU-GGAORHGYSA-N 2 1 363.549 4.219 20 0 FIADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(NC3c4ccccc4-c4ccccc43)cn12 ZINC001167776856 1085496188 /nfs/dbraw/zinc/49/61/88/1085496188.db2.gz RQTAARLKDIPQGD-UHFFFAOYSA-N 2 1 352.441 4.203 20 0 FIADMP Brc1ccccc1CC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207530318 1085658230 /nfs/dbraw/zinc/65/82/30/1085658230.db2.gz AIIBDVFBKBFXGX-GOSISDBHSA-N 2 1 365.359 4.332 20 0 FIADMP Brc1ccccc1CC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207530318 1085658238 /nfs/dbraw/zinc/65/82/38/1085658238.db2.gz AIIBDVFBKBFXGX-GOSISDBHSA-N 2 1 365.359 4.332 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814016 1085763226 /nfs/dbraw/zinc/76/32/26/1085763226.db2.gz WYTAOERGJJKUNT-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814016 1085763231 /nfs/dbraw/zinc/76/32/31/1085763231.db2.gz WYTAOERGJJKUNT-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814016 1085763236 /nfs/dbraw/zinc/76/32/36/1085763236.db2.gz WYTAOERGJJKUNT-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814016 1085763242 /nfs/dbraw/zinc/76/32/42/1085763242.db2.gz WYTAOERGJJKUNT-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814016 1085763248 /nfs/dbraw/zinc/76/32/48/1085763248.db2.gz WYTAOERGJJKUNT-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432229748 1085775831 /nfs/dbraw/zinc/77/58/31/1085775831.db2.gz UOIAUWKAPYHTDY-UHFFFAOYSA-N 2 1 371.283 4.363 20 0 FIADMP C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc2c1CC[NH2+]C2 ZINC000662252910 1086377731 /nfs/dbraw/zinc/37/77/31/1086377731.db2.gz DIORYDVCMIFKFF-UHFFFAOYSA-N 2 1 361.489 4.052 20 0 FIADMP COc1cccc(OCC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001167659334 1086395387 /nfs/dbraw/zinc/39/53/87/1086395387.db2.gz QCULIGKKECPLLB-LJQANCHMSA-N 2 1 360.542 4.051 20 0 FIADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294435 1086399579 /nfs/dbraw/zinc/39/95/79/1086399579.db2.gz WCAYOPFXMOTFLK-ZBFHGGJFSA-N 2 1 362.468 4.204 20 0 FIADMP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662295143 1086400045 /nfs/dbraw/zinc/40/00/45/1086400045.db2.gz TWTWWPBVFAGCIL-QGZVFWFLSA-N 2 1 359.901 4.207 20 0 FIADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000662388320 1086428685 /nfs/dbraw/zinc/42/86/85/1086428685.db2.gz OORUWXJNHWMIKJ-SFHVURJKSA-N 2 1 356.514 4.004 20 0 FIADMP Nc1cccc2c1ccnc2NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000663401261 1086516102 /nfs/dbraw/zinc/51/61/02/1086516102.db2.gz HMGSMUSJULASTR-UHFFFAOYSA-N 2 1 368.431 4.172 20 0 FIADMP Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468220 1086571486 /nfs/dbraw/zinc/57/14/86/1086571486.db2.gz KLFFYSBIMDMSAO-APWZRJJASA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468220 1086571495 /nfs/dbraw/zinc/57/14/95/1086571495.db2.gz KLFFYSBIMDMSAO-APWZRJJASA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468220 1086571501 /nfs/dbraw/zinc/57/15/01/1086571501.db2.gz KLFFYSBIMDMSAO-APWZRJJASA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468222 1086572619 /nfs/dbraw/zinc/57/26/19/1086572619.db2.gz KLFFYSBIMDMSAO-QFBILLFUSA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468222 1086572628 /nfs/dbraw/zinc/57/26/28/1086572628.db2.gz KLFFYSBIMDMSAO-QFBILLFUSA-N 2 1 370.516 4.092 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cnn1-c1ccc(F)cc1 ZINC000663468222 1086572636 /nfs/dbraw/zinc/57/26/36/1086572636.db2.gz KLFFYSBIMDMSAO-QFBILLFUSA-N 2 1 370.516 4.092 20 0 FIADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663474827 1086582783 /nfs/dbraw/zinc/58/27/83/1086582783.db2.gz RTHULTWQJHSIQT-RDTXWAMCSA-N 2 1 355.448 4.233 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2C[C@H](c3nc(C)cs3)O[C@@H]2C1 ZINC001167821770 1086590047 /nfs/dbraw/zinc/59/00/47/1086590047.db2.gz FOMLPVWJTRPBHK-INDMIFKZSA-N 2 1 365.587 4.114 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001167824288 1086606267 /nfs/dbraw/zinc/60/62/67/1086606267.db2.gz GLKXKWYJKCBEOF-FQEVSTJZSA-N 3 1 361.574 4.078 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001167826839 1086618544 /nfs/dbraw/zinc/61/85/44/1086618544.db2.gz RLMSYPYWVLNXCZ-OKYOBFRVSA-N 2 1 367.578 4.017 20 0 FIADMP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)sc1Br ZINC000511997350 1086622451 /nfs/dbraw/zinc/62/24/51/1086622451.db2.gz RWMRCEIQAKYSJZ-LBPRGKRZSA-N 2 1 356.333 4.455 20 0 FIADMP Clc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC001648933412 1086632199 /nfs/dbraw/zinc/63/21/99/1086632199.db2.gz UFCPYKRWGZPGNY-UHFFFAOYSA-N 2 1 357.723 4.209 20 0 FIADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512011635 1086644651 /nfs/dbraw/zinc/64/46/51/1086644651.db2.gz ZTCZDRIALQDLHC-LLVKDONJSA-N 2 1 358.338 4.232 20 0 FIADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000525641290 1086669253 /nfs/dbraw/zinc/66/92/53/1086669253.db2.gz ICHJBCDEXATZJG-MJGOQNOKSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641290 1086669256 /nfs/dbraw/zinc/66/92/56/1086669256.db2.gz ICHJBCDEXATZJG-MJGOQNOKSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641290 1086669258 /nfs/dbraw/zinc/66/92/58/1086669258.db2.gz ICHJBCDEXATZJG-MJGOQNOKSA-N 2 1 372.557 4.055 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCSC[C@@H]1c1cccc(OC)c1 ZINC001167833648 1086670580 /nfs/dbraw/zinc/67/05/80/1086670580.db2.gz CUQOQHKAGRFKSK-YLJYHZDGSA-N 2 1 350.572 4.296 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338786 1086675481 /nfs/dbraw/zinc/67/54/81/1086675481.db2.gz UCPFJBOKVJZOSK-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H](C)COC ZINC001167838066 1086711947 /nfs/dbraw/zinc/71/19/47/1086711947.db2.gz PFQUNHFSYJSECK-RTBURBONSA-N 2 1 350.547 4.043 20 0 FIADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647295043 1086728461 /nfs/dbraw/zinc/72/84/61/1086728461.db2.gz YBVMSYIAOZLNTP-IRFCIJBXSA-N 2 1 366.553 4.171 20 0 FIADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432420748 1086743201 /nfs/dbraw/zinc/74/32/01/1086743201.db2.gz MDAQZADSVRHOHJ-SJORKVTESA-N 2 1 372.475 4.117 20 0 FIADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432420748 1086743205 /nfs/dbraw/zinc/74/32/05/1086743205.db2.gz MDAQZADSVRHOHJ-SJORKVTESA-N 2 1 372.475 4.117 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422387 1086748156 /nfs/dbraw/zinc/74/81/56/1086748156.db2.gz SXRYRPBMZNVWMJ-FPOVZHCZSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422387 1086748163 /nfs/dbraw/zinc/74/81/63/1086748163.db2.gz SXRYRPBMZNVWMJ-FPOVZHCZSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423153 1086751734 /nfs/dbraw/zinc/75/17/34/1086751734.db2.gz IMQLIEFOSWEEID-SFTDATJTSA-N 2 1 366.549 4.298 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423153 1086751739 /nfs/dbraw/zinc/75/17/39/1086751739.db2.gz IMQLIEFOSWEEID-SFTDATJTSA-N 2 1 366.549 4.298 20 0 FIADMP CCCCc1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706313 1086755539 /nfs/dbraw/zinc/75/55/39/1086755539.db2.gz ILUCNOWVVBCBKI-YZZKKUAISA-N 2 1 370.537 4.494 20 0 FIADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657772506 1086804547 /nfs/dbraw/zinc/80/45/47/1086804547.db2.gz VOKCTXXMSZDNGN-NRFANRHFSA-N 2 1 366.553 4.030 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000650722533 1086818542 /nfs/dbraw/zinc/81/85/42/1086818542.db2.gz WBTIGQRMYLKIHT-NSISKUIASA-N 2 1 374.525 4.415 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3F)s2)C1 ZINC000650721990 1086826432 /nfs/dbraw/zinc/82/64/32/1086826432.db2.gz HYNFJGFYTZHEQN-XPGWFJOJSA-N 2 1 374.525 4.415 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773402 1086833364 /nfs/dbraw/zinc/83/33/64/1086833364.db2.gz RIDPVZYOPUJODQ-FXAWDEMLSA-N 2 1 353.485 4.174 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000728571429 1086869609 /nfs/dbraw/zinc/86/96/09/1086869609.db2.gz DWVXGVSISUUVDS-GOSISDBHSA-N 2 1 373.585 4.363 20 0 FIADMP CC(C)C(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000583644326 1086892983 /nfs/dbraw/zinc/89/29/83/1086892983.db2.gz YUQQGXFCUBCEFA-QFIPXVFZSA-N 2 1 372.597 4.433 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000583663669 1086907336 /nfs/dbraw/zinc/90/73/36/1086907336.db2.gz QEXOWUIFHAMUMQ-IRLDBZIGSA-N 2 1 368.569 4.287 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000564530298 1087004354 /nfs/dbraw/zinc/00/43/54/1087004354.db2.gz YXTPBOMLLLCARD-NWNNTGRJSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000564530298 1087004356 /nfs/dbraw/zinc/00/43/56/1087004356.db2.gz YXTPBOMLLLCARD-NWNNTGRJSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000564530298 1087004364 /nfs/dbraw/zinc/00/43/64/1087004364.db2.gz YXTPBOMLLLCARD-NWNNTGRJSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC000564530298 1087004369 /nfs/dbraw/zinc/00/43/69/1087004369.db2.gz YXTPBOMLLLCARD-NWNNTGRJSA-N 2 1 352.469 4.355 20 0 FIADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(-c2ccncc2)ccc1OC ZINC000583899308 1087020525 /nfs/dbraw/zinc/02/05/25/1087020525.db2.gz JYRKUHIBFAXHRS-UHFFFAOYSA-N 2 1 353.510 4.065 20 0 FIADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(-c2ccncc2)ccc1OC ZINC000583899308 1087020531 /nfs/dbraw/zinc/02/05/31/1087020531.db2.gz JYRKUHIBFAXHRS-UHFFFAOYSA-N 2 1 353.510 4.065 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C(F)F ZINC000657826479 1087159728 /nfs/dbraw/zinc/15/97/28/1087159728.db2.gz GWCVGQSFXGLSDX-XHSDSOJGSA-N 2 1 354.485 4.065 20 0 FIADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657834446 1087214133 /nfs/dbraw/zinc/21/41/33/1087214133.db2.gz KBFYWRHNGZDPDH-JSGCOSHPSA-N 2 1 360.851 4.364 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000584199628 1087216444 /nfs/dbraw/zinc/21/64/44/1087216444.db2.gz QFXNGKKXNRRLTI-UHFFFAOYSA-N 2 1 350.466 4.209 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000584199628 1087216450 /nfs/dbraw/zinc/21/64/50/1087216450.db2.gz QFXNGKKXNRRLTI-UHFFFAOYSA-N 2 1 350.466 4.209 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)c(Cl)c1 ZINC000657839871 1087277501 /nfs/dbraw/zinc/27/75/01/1087277501.db2.gz IITACHDVHPVTLK-IACUBPJLSA-N 2 1 357.723 4.380 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCCn2nccc21)C1CCCCC1 ZINC000657841469 1087279783 /nfs/dbraw/zinc/27/97/83/1087279783.db2.gz GUVOASVJEDGJEX-OAQYLSRUSA-N 2 1 352.526 4.272 20 0 FIADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657839830 1087282478 /nfs/dbraw/zinc/28/24/78/1087282478.db2.gz HKEKBJAXYOKRPX-QYZOEREBSA-N 2 1 365.359 4.233 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000086254591 1087370824 /nfs/dbraw/zinc/37/08/24/1087370824.db2.gz MNMPKGCIJDUVGO-AEFFLSMTSA-N 2 1 351.416 4.206 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000086254591 1087370827 /nfs/dbraw/zinc/37/08/27/1087370827.db2.gz MNMPKGCIJDUVGO-AEFFLSMTSA-N 2 1 351.416 4.206 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867468 1087447039 /nfs/dbraw/zinc/44/70/39/1087447039.db2.gz MHNPABIXLHJPIJ-WMZOPIPTSA-N 2 1 359.464 4.234 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867468 1087447043 /nfs/dbraw/zinc/44/70/43/1087447043.db2.gz MHNPABIXLHJPIJ-WMZOPIPTSA-N 2 1 359.464 4.234 20 0 FIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)CC1 ZINC000685463136 1087575537 /nfs/dbraw/zinc/57/55/37/1087575537.db2.gz OATMKIYJWZCEQL-CQSZACIVSA-N 2 1 358.860 4.105 20 0 FIADMP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000685463072 1087575849 /nfs/dbraw/zinc/57/58/49/1087575849.db2.gz BWAFJFYAMPDTBO-IBGZPJMESA-N 2 1 355.551 4.282 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000708567379 1087587034 /nfs/dbraw/zinc/58/70/34/1087587034.db2.gz AYRDENNWAUIKEL-JTAQYXEDSA-N 2 1 366.549 4.374 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657999156 1087696428 /nfs/dbraw/zinc/69/64/28/1087696428.db2.gz SQUJQOXOMFRQFJ-AEFFLSMTSA-N 2 1 351.519 4.469 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658136380 1087725088 /nfs/dbraw/zinc/72/50/88/1087725088.db2.gz GYXYEVUFTKRUHK-DENIHFKCSA-N 2 1 374.475 4.018 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658136611 1087730815 /nfs/dbraw/zinc/73/08/15/1087730815.db2.gz HNVLBGJQJZODEZ-OYDLWJJNSA-N 2 1 364.533 4.227 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658138002 1087742292 /nfs/dbraw/zinc/74/22/92/1087742292.db2.gz LNTGYYCPKXADNE-UTKZUKDTSA-N 2 1 370.562 4.216 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2ccccc2s1 ZINC000658139960 1087743494 /nfs/dbraw/zinc/74/34/94/1087743494.db2.gz RLAYZEHHEBWTTM-JXFKEZNVSA-N 2 1 366.530 4.319 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000472357263 1087745127 /nfs/dbraw/zinc/74/51/27/1087745127.db2.gz YXYGQHXMIHSOKI-ICSRJNTNSA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000472357263 1087745136 /nfs/dbraw/zinc/74/51/36/1087745136.db2.gz YXYGQHXMIHSOKI-ICSRJNTNSA-N 2 1 355.551 4.193 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)C[C@H]2C1 ZINC000424322241 1087920124 /nfs/dbraw/zinc/92/01/24/1087920124.db2.gz VBAWBJUVKGVYMR-MLMHEIKCSA-N 2 1 368.521 4.205 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)C[C@H]2C1 ZINC000424322246 1087920346 /nfs/dbraw/zinc/92/03/46/1087920346.db2.gz VBAWBJUVKGVYMR-XBLRLVIHSA-N 2 1 368.521 4.205 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424308349 1087932136 /nfs/dbraw/zinc/93/21/36/1087932136.db2.gz ZVDPDQFIMIUHSP-VUOLKEHKSA-N 2 1 356.554 4.080 20 0 FIADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414809783 1088174174 /nfs/dbraw/zinc/17/41/74/1088174174.db2.gz UMWKRKVITBISRO-DOMZBBRYSA-N 2 1 355.429 4.046 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4c3cccc4F)CC2)cs1 ZINC000513870866 1088475831 /nfs/dbraw/zinc/47/58/31/1088475831.db2.gz HEIQIJBZTIWOJA-FQEVSTJZSA-N 2 1 373.541 4.334 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715214 /nfs/dbraw/zinc/71/52/14/1088715214.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715232 /nfs/dbraw/zinc/71/52/32/1088715232.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715246 /nfs/dbraw/zinc/71/52/46/1088715246.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715261 /nfs/dbraw/zinc/71/52/61/1088715261.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715275 /nfs/dbraw/zinc/71/52/75/1088715275.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715293 /nfs/dbraw/zinc/71/52/93/1088715293.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715304 /nfs/dbraw/zinc/71/53/04/1088715304.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715318 /nfs/dbraw/zinc/71/53/18/1088715318.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000514095659 1088715333 /nfs/dbraw/zinc/71/53/33/1088715333.db2.gz SFAOXJNFKAJOOO-MSYGRNIXSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000514089434 1088734215 /nfs/dbraw/zinc/73/42/15/1088734215.db2.gz QBMWAXLURZVVSW-RBKXMNCYSA-N 3 1 357.586 4.284 20 0 FIADMP C[C@H]1CCCC[NH+]1CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000514089434 1088734225 /nfs/dbraw/zinc/73/42/25/1088734225.db2.gz QBMWAXLURZVVSW-RBKXMNCYSA-N 3 1 357.586 4.284 20 0 FIADMP C[C@H]1CCCC[NH+]1CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000514089434 1088734239 /nfs/dbraw/zinc/73/42/39/1088734239.db2.gz QBMWAXLURZVVSW-RBKXMNCYSA-N 3 1 357.586 4.284 20 0 FIADMP C[C@H](CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OCc1ccccc1 ZINC000434671502 1088937374 /nfs/dbraw/zinc/93/73/74/1088937374.db2.gz UZIIKZHAMJXROW-LJQANCHMSA-N 2 1 367.537 4.394 20 0 FIADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415081491 1089137410 /nfs/dbraw/zinc/13/74/10/1089137410.db2.gz CFQJWWCZZDYTBB-VAMGGRTRSA-N 2 1 358.526 4.027 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415090456 1089142097 /nfs/dbraw/zinc/14/20/97/1089142097.db2.gz OUZSMHLPZFZJHE-VXKWHMMOSA-N 2 1 360.505 4.072 20 0 FIADMP C[NH+](C)[C@@H]1CCOc2c(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000435023451 1089209892 /nfs/dbraw/zinc/20/98/92/1089209892.db2.gz KKONVTUCWYMUMP-DENIHFKCSA-N 2 1 365.521 4.148 20 0 FIADMP Fc1ccc2oc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2c1 ZINC000435061641 1089252065 /nfs/dbraw/zinc/25/20/65/1089252065.db2.gz RJDSIPZEWKSIPB-UHFFFAOYSA-N 2 1 353.441 4.484 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000514602036 1089256595 /nfs/dbraw/zinc/25/65/95/1089256595.db2.gz DJSNIDXZKDSVKJ-SIKLNZKXSA-N 2 1 374.532 4.158 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000511527126 1089567053 /nfs/dbraw/zinc/56/70/53/1089567053.db2.gz UHBUTLWSOYOWOP-UHFFFAOYSA-N 2 1 350.934 4.065 20 0 FIADMP CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000514973713 1089677310 /nfs/dbraw/zinc/67/73/10/1089677310.db2.gz YOJDXLMJVYTLEX-UHFFFAOYSA-N 2 1 370.928 4.310 20 0 FIADMP CC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000514973713 1089677321 /nfs/dbraw/zinc/67/73/21/1089677321.db2.gz YOJDXLMJVYTLEX-UHFFFAOYSA-N 2 1 370.928 4.310 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728708749 1089732063 /nfs/dbraw/zinc/73/20/63/1089732063.db2.gz MTNCYHLJODPEPM-UHFFFAOYSA-N 2 1 366.484 4.230 20 0 FIADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728708749 1089732077 /nfs/dbraw/zinc/73/20/77/1089732077.db2.gz MTNCYHLJODPEPM-UHFFFAOYSA-N 2 1 366.484 4.230 20 0 FIADMP C[C@H]([NH2+]CC1(c2ccc(Br)s2)CCC1)c1c[nH+]ccc1N ZINC000515164812 1089820937 /nfs/dbraw/zinc/82/09/37/1089820937.db2.gz KPZDUTWAKFQOLS-NSHDSACASA-N 2 1 366.328 4.091 20 0 FIADMP COCC[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549421567 1090317854 /nfs/dbraw/zinc/31/78/54/1090317854.db2.gz ROBDRBHKHNGFOY-PXWCZTGZSA-N 2 1 350.934 4.269 20 0 FIADMP c1[nH]nc2cccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c12 ZINC000628293068 1090387390 /nfs/dbraw/zinc/38/73/90/1090387390.db2.gz KKDKNVSESCZBNW-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687510 1090565481 /nfs/dbraw/zinc/56/54/81/1090565481.db2.gz QGFIQQJXLFCAHU-NJSLBKSFSA-N 2 1 371.352 4.269 20 0 FIADMP COc1ccc([C@@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413484 1090706892 /nfs/dbraw/zinc/70/68/92/1090706892.db2.gz GFXJSTVWCCTHSC-JPYJTQIMSA-N 2 1 368.521 4.267 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413484 1090706898 /nfs/dbraw/zinc/70/68/98/1090706898.db2.gz GFXJSTVWCCTHSC-JPYJTQIMSA-N 2 1 368.521 4.267 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511621220 1090838675 /nfs/dbraw/zinc/83/86/75/1090838675.db2.gz BSUHWWCJYNNMBY-SCLBCKFNSA-N 2 1 367.415 4.467 20 0 FIADMP C[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124449 1091052487 /nfs/dbraw/zinc/05/24/87/1091052487.db2.gz NSNYGCLCRVTKBK-NVXWUHKLSA-N 2 1 354.460 4.473 20 0 FIADMP C[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124449 1091052492 /nfs/dbraw/zinc/05/24/92/1091052492.db2.gz NSNYGCLCRVTKBK-NVXWUHKLSA-N 2 1 354.460 4.473 20 0 FIADMP C[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124449 1091052498 /nfs/dbraw/zinc/05/24/98/1091052498.db2.gz NSNYGCLCRVTKBK-NVXWUHKLSA-N 2 1 354.460 4.473 20 0 FIADMP C[N@@H+](CCCCC1CCOCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000499600164 1091127436 /nfs/dbraw/zinc/12/74/36/1091127436.db2.gz LEZPBYSTHPHYIE-UHFFFAOYSA-N 2 1 359.558 4.217 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001167752154 1091160045 /nfs/dbraw/zinc/16/00/45/1091160045.db2.gz QKDVRLZJWULBAV-AZUAARDMSA-N 2 1 369.557 4.027 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167752154 1091160051 /nfs/dbraw/zinc/16/00/51/1091160051.db2.gz QKDVRLZJWULBAV-AZUAARDMSA-N 3 1 369.557 4.027 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167752154 1091160054 /nfs/dbraw/zinc/16/00/54/1091160054.db2.gz QKDVRLZJWULBAV-AZUAARDMSA-N 3 1 369.557 4.027 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000390559316 1091252464 /nfs/dbraw/zinc/25/24/64/1091252464.db2.gz AHFRZXFAWKDHTJ-UKKFODGLSA-N 2 1 362.517 4.468 20 0 FIADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000390631599 1091344548 /nfs/dbraw/zinc/34/45/48/1091344548.db2.gz JBJGDLBEAAFGRL-JOCHJYFZSA-N 2 1 368.521 4.094 20 0 FIADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000390631599 1091344557 /nfs/dbraw/zinc/34/45/57/1091344557.db2.gz JBJGDLBEAAFGRL-JOCHJYFZSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@@H](CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656569 1091372089 /nfs/dbraw/zinc/37/20/89/1091372089.db2.gz KVOITIOBIJODJG-NZQKXSOJSA-N 2 1 352.522 4.061 20 0 FIADMP C[C@@H](CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656569 1091372096 /nfs/dbraw/zinc/37/20/96/1091372096.db2.gz KVOITIOBIJODJG-NZQKXSOJSA-N 2 1 352.522 4.061 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000512222641 1091928745 /nfs/dbraw/zinc/92/87/45/1091928745.db2.gz VFRCILFUDGLBFN-GOSISDBHSA-N 2 1 365.521 4.375 20 0 FIADMP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237458 1091945885 /nfs/dbraw/zinc/94/58/85/1091945885.db2.gz RJZZTCQVMSMWKO-DNQXCXABSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237458 1091945891 /nfs/dbraw/zinc/94/58/91/1091945891.db2.gz RJZZTCQVMSMWKO-DNQXCXABSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237458 1091945894 /nfs/dbraw/zinc/94/58/94/1091945894.db2.gz RJZZTCQVMSMWKO-DNQXCXABSA-N 2 1 364.533 4.362 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCCCC4CCOCC4)C3)C2)cc1 ZINC000512291458 1092013827 /nfs/dbraw/zinc/01/38/27/1092013827.db2.gz JSKOZQCSWLRXFF-QHCPKHFHSA-N 2 1 356.554 4.181 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCCCC4CCOCC4)C3)C2)cc1 ZINC000512291458 1092013839 /nfs/dbraw/zinc/01/38/39/1092013839.db2.gz JSKOZQCSWLRXFF-QHCPKHFHSA-N 2 1 356.554 4.181 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCCCC4CCOCC4)C3)C2)cc1 ZINC000512291458 1092013851 /nfs/dbraw/zinc/01/38/51/1092013851.db2.gz JSKOZQCSWLRXFF-QHCPKHFHSA-N 2 1 356.554 4.181 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000512431986 1092314323 /nfs/dbraw/zinc/31/43/23/1092314323.db2.gz CJAWHIRDDDLSLY-XMSQKQJNSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@@H]1C[C@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431986 1092314340 /nfs/dbraw/zinc/31/43/40/1092314340.db2.gz CJAWHIRDDDLSLY-XMSQKQJNSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@@H]1C[C@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431986 1092314353 /nfs/dbraw/zinc/31/43/53/1092314353.db2.gz CJAWHIRDDDLSLY-XMSQKQJNSA-N 2 1 368.496 4.383 20 0 FIADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000474028194 1092318724 /nfs/dbraw/zinc/31/87/24/1092318724.db2.gz AMMWVVUWAKAVMJ-OAQYLSRUSA-N 2 1 365.521 4.380 20 0 FIADMP C[C@@H]1CC(NCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012504 1092338684 /nfs/dbraw/zinc/33/86/84/1092338684.db2.gz BCRBKECNTXGBTO-NHCUHLMSSA-N 2 1 365.565 4.150 20 0 FIADMP C[C@@H]1CC([NH2+]CCN(C)Cc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012504 1092338697 /nfs/dbraw/zinc/33/86/97/1092338697.db2.gz BCRBKECNTXGBTO-NHCUHLMSSA-N 2 1 365.565 4.150 20 0 FIADMP CCOc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc(Cl)c1OC ZINC000520950462 1092376212 /nfs/dbraw/zinc/37/62/12/1092376212.db2.gz WBOOJQUDPPSOJV-INIZCTEOSA-N 2 1 368.949 4.492 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432791883 1092381403 /nfs/dbraw/zinc/38/14/03/1092381403.db2.gz HYUDJWZIJRJOFK-LJQANCHMSA-N 2 1 374.960 4.118 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432791883 1092381412 /nfs/dbraw/zinc/38/14/12/1092381412.db2.gz HYUDJWZIJRJOFK-LJQANCHMSA-N 2 1 374.960 4.118 20 0 FIADMP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000442709032 1092734684 /nfs/dbraw/zinc/73/46/84/1092734684.db2.gz MZVAONBPDSRHFM-LESCRADOSA-N 2 1 352.444 4.415 20 0 FIADMP Clc1cccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)c1 ZINC000047972662 1092742916 /nfs/dbraw/zinc/74/29/16/1092742916.db2.gz MVRGBEJUSYLCLE-UHFFFAOYSA-N 2 1 359.901 4.303 20 0 FIADMP C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754042 1092756136 /nfs/dbraw/zinc/75/61/36/1092756136.db2.gz HMNYVHFGSSBUNL-SJPCQFCGSA-N 2 1 356.432 4.079 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@@H]1c1cccs1 ZINC000442787049 1092762485 /nfs/dbraw/zinc/76/24/85/1092762485.db2.gz HBIPHBVHGSMHIT-XCGNWRKASA-N 2 1 365.546 4.369 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@@H]1c1cccs1 ZINC000442787049 1092762489 /nfs/dbraw/zinc/76/24/89/1092762489.db2.gz HBIPHBVHGSMHIT-XCGNWRKASA-N 2 1 365.546 4.369 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1F ZINC000442791397 1092768760 /nfs/dbraw/zinc/76/87/60/1092768760.db2.gz JLMDJXLKTQNMTD-INIZCTEOSA-N 2 1 360.436 4.058 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C(C)C ZINC000110172751 1092787515 /nfs/dbraw/zinc/78/75/15/1092787515.db2.gz QKVAPYSWDDQCAU-BGYRXZFFSA-N 2 1 373.585 4.015 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C(C)C ZINC000110172751 1092787524 /nfs/dbraw/zinc/78/75/24/1092787524.db2.gz QKVAPYSWDDQCAU-BGYRXZFFSA-N 2 1 373.585 4.015 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C(C)C ZINC000110172751 1092787535 /nfs/dbraw/zinc/78/75/35/1092787535.db2.gz QKVAPYSWDDQCAU-BGYRXZFFSA-N 2 1 373.585 4.015 20 0 FIADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000442861130 1092802919 /nfs/dbraw/zinc/80/29/19/1092802919.db2.gz CZCLFKMHOFOAMQ-IBGZPJMESA-N 2 1 367.537 4.156 20 0 FIADMP COCCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865497 1092812231 /nfs/dbraw/zinc/81/22/31/1092812231.db2.gz UCMCIGGDJAAAAT-NFBKMPQASA-N 2 1 370.512 4.405 20 0 FIADMP COCCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(F)cc1 ZINC000442871576 1092819207 /nfs/dbraw/zinc/81/92/07/1092819207.db2.gz LYWVWDPOGFOEFT-WIYYLYMNSA-N 2 1 350.522 4.251 20 0 FIADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1cccc(Br)c1 ZINC000544349654 1092884546 /nfs/dbraw/zinc/88/45/46/1092884546.db2.gz IXOUOWIKTAIWAE-UHFFFAOYSA-N 2 1 362.296 4.328 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000443198537 1092987653 /nfs/dbraw/zinc/98/76/53/1092987653.db2.gz RJPIYBMVUNZNCI-IYERYRBDSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000443198537 1092987657 /nfs/dbraw/zinc/98/76/57/1092987657.db2.gz RJPIYBMVUNZNCI-IYERYRBDSA-N 2 1 366.480 4.150 20 0 FIADMP c1sc(CN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C1CC1 ZINC000512610965 1092989331 /nfs/dbraw/zinc/98/93/31/1092989331.db2.gz GQTPCBMLUAWHHH-ZCNNSNEGSA-N 2 1 367.562 4.411 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612058 1092990970 /nfs/dbraw/zinc/99/09/70/1092990970.db2.gz NMUFKPLYXMYNSH-RCZSKKKRSA-N 2 1 367.537 4.190 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612058 1092990973 /nfs/dbraw/zinc/99/09/73/1092990973.db2.gz NMUFKPLYXMYNSH-RCZSKKKRSA-N 2 1 367.537 4.190 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000443449853 1093133909 /nfs/dbraw/zinc/13/39/09/1093133909.db2.gz WLLBNOFFTNXALI-UHFFFAOYSA-N 2 1 374.326 4.452 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC001168018179 1093164094 /nfs/dbraw/zinc/16/40/94/1093164094.db2.gz YUWUWFGINJATQU-IRXDYDNUSA-N 2 1 356.485 4.366 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C3CCC(F)(F)CC3)CCCC2)CC1 ZINC000474065556 1093178669 /nfs/dbraw/zinc/17/86/69/1093178669.db2.gz JQBLKTCRJUPEFC-MRXNPFEDSA-N 2 1 358.517 4.214 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000474068053 1093182396 /nfs/dbraw/zinc/18/23/96/1093182396.db2.gz SJVNQTSGNBJODO-AKIFATBCSA-N 2 1 356.554 4.144 20 0 FIADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020361 1093213967 /nfs/dbraw/zinc/21/39/67/1093213967.db2.gz MRBJFYRHVJPWEJ-HATOLVCRSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020885 1093226408 /nfs/dbraw/zinc/22/64/08/1093226408.db2.gz OJNQUTXRXPPRID-JHDGKUDLSA-N 2 1 351.538 4.436 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCN(c4ccccc4)C3)CC2)cc1 ZINC000433096580 1093250334 /nfs/dbraw/zinc/25/03/34/1093250334.db2.gz FTJLWEXOOAIPLK-JOCHJYFZSA-N 2 1 363.549 4.157 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000191471226 1093395929 /nfs/dbraw/zinc/39/59/29/1093395929.db2.gz BMLVMCZUPQYTCT-AWEZNQCLSA-N 2 1 359.499 4.030 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000191471226 1093395938 /nfs/dbraw/zinc/39/59/38/1093395938.db2.gz BMLVMCZUPQYTCT-AWEZNQCLSA-N 2 1 359.499 4.030 20 0 FIADMP COc1cc(F)cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168025250 1093419487 /nfs/dbraw/zinc/41/94/87/1093419487.db2.gz JEDFTNAXFQIROL-UPHUGPLXSA-N 2 1 356.485 4.366 20 0 FIADMP COc1cc(F)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168025250 1093419493 /nfs/dbraw/zinc/41/94/93/1093419493.db2.gz JEDFTNAXFQIROL-UPHUGPLXSA-N 2 1 356.485 4.366 20 0 FIADMP Brc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000513040864 1093688799 /nfs/dbraw/zinc/68/87/99/1093688799.db2.gz ILXGKXDFGLVTOW-UHFFFAOYSA-N 2 1 357.361 4.397 20 0 FIADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033366 1093713801 /nfs/dbraw/zinc/71/38/01/1093713801.db2.gz KRTQPGLOORYSOS-MXNKGDRCSA-N 2 1 357.586 4.281 20 0 FIADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033366 1093713806 /nfs/dbraw/zinc/71/38/06/1093713806.db2.gz KRTQPGLOORYSOS-MXNKGDRCSA-N 2 1 357.586 4.281 20 0 FIADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033366 1093713812 /nfs/dbraw/zinc/71/38/12/1093713812.db2.gz KRTQPGLOORYSOS-MXNKGDRCSA-N 2 1 357.586 4.281 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2c(CC)cccc2CC)CC1 ZINC000052209114 1093768551 /nfs/dbraw/zinc/76/85/51/1093768551.db2.gz GJOARHYUSCLTJF-UHFFFAOYSA-N 2 1 373.585 4.194 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2c(CC)cccc2CC)CC1 ZINC000052209114 1093768559 /nfs/dbraw/zinc/76/85/59/1093768559.db2.gz GJOARHYUSCLTJF-UHFFFAOYSA-N 2 1 373.585 4.194 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513085336 1093787266 /nfs/dbraw/zinc/78/72/66/1093787266.db2.gz ZSPRBYNPFZOYSP-AZUAARDMSA-N 2 1 362.521 4.138 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513085336 1093787270 /nfs/dbraw/zinc/78/72/70/1093787270.db2.gz ZSPRBYNPFZOYSP-AZUAARDMSA-N 2 1 362.521 4.138 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnc2ccccc2n1 ZINC000614387145 1093802236 /nfs/dbraw/zinc/80/22/36/1093802236.db2.gz AUFSGUKDOIPMHG-SFHVURJKSA-N 2 1 360.505 4.294 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000614387145 1093802243 /nfs/dbraw/zinc/80/22/43/1093802243.db2.gz AUFSGUKDOIPMHG-SFHVURJKSA-N 2 1 360.505 4.294 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000614387145 1093802249 /nfs/dbraw/zinc/80/22/49/1093802249.db2.gz AUFSGUKDOIPMHG-SFHVURJKSA-N 2 1 360.505 4.294 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000474463727 1093808858 /nfs/dbraw/zinc/80/88/58/1093808858.db2.gz GBSQJJHWDXSHHU-KRWDZBQOSA-N 2 1 370.493 4.121 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000474463727 1093808864 /nfs/dbraw/zinc/80/88/64/1093808864.db2.gz GBSQJJHWDXSHHU-KRWDZBQOSA-N 2 1 370.493 4.121 20 0 FIADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000474466930 1093813744 /nfs/dbraw/zinc/81/37/44/1093813744.db2.gz BKXVWPBLHUPFNT-WEMPKCCASA-N 2 1 372.553 4.128 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000474472454 1093817032 /nfs/dbraw/zinc/81/70/32/1093817032.db2.gz INAIKYVHXNGTBS-UHFFFAOYSA-N 2 1 372.553 4.061 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000474474546 1093819895 /nfs/dbraw/zinc/81/98/95/1093819895.db2.gz HFRCMLJDVXUSSZ-GUDVDZBRSA-N 2 1 362.558 4.298 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474476535 1093821247 /nfs/dbraw/zinc/82/12/47/1093821247.db2.gz ZOVHROZWXMUUQS-OAHLLOKOSA-N 2 1 353.432 4.459 20 0 FIADMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1Cl ZINC000513335574 1094071175 /nfs/dbraw/zinc/07/11/75/1094071175.db2.gz IBAXGTAYVQPJHT-LJQANCHMSA-N 2 1 358.913 4.303 20 0 FIADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1Cl ZINC000513335574 1094071182 /nfs/dbraw/zinc/07/11/82/1094071182.db2.gz IBAXGTAYVQPJHT-LJQANCHMSA-N 2 1 358.913 4.303 20 0 FIADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000513335574 1094071187 /nfs/dbraw/zinc/07/11/87/1094071187.db2.gz IBAXGTAYVQPJHT-LJQANCHMSA-N 2 1 358.913 4.303 20 0 FIADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000513335574 1094071195 /nfs/dbraw/zinc/07/11/95/1094071195.db2.gz IBAXGTAYVQPJHT-LJQANCHMSA-N 2 1 358.913 4.303 20 0 FIADMP Cc1cccn2c(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cnc12 ZINC000513494992 1094161955 /nfs/dbraw/zinc/16/19/55/1094161955.db2.gz LCXVTFDYKCMLMS-TZIWHRDSSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2csc(C3CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000513500795 1094174177 /nfs/dbraw/zinc/17/41/77/1094174177.db2.gz OWWKLFCPPUTEMA-AEFFLSMTSA-N 2 1 355.551 4.411 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000513518780 1094178830 /nfs/dbraw/zinc/17/88/30/1094178830.db2.gz NYOJNHWFMDRHKW-XMMPIXPASA-N 2 1 374.532 4.390 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000513652665 1094255649 /nfs/dbraw/zinc/25/56/49/1094255649.db2.gz AZMJOLMIXBMMOG-XPPIMPSXSA-N 2 1 358.570 4.351 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C)ccc2F)CC1 ZINC000236983984 1094332019 /nfs/dbraw/zinc/33/20/19/1094332019.db2.gz KWSJQSPGOOVSMF-KRWDZBQOSA-N 2 1 373.491 4.266 20 0 FIADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037270 1094361501 /nfs/dbraw/zinc/36/15/01/1094361501.db2.gz XHECMJQMRBQWGF-IRJINJETSA-N 2 1 369.597 4.282 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000501024321 1094441529 /nfs/dbraw/zinc/44/15/29/1094441529.db2.gz PEZANWNVCGDRQG-DEOSSOPVSA-N 2 1 371.613 4.280 20 0 FIADMP CCOC(=O)C[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168039986 1094482164 /nfs/dbraw/zinc/48/21/64/1094482164.db2.gz JJSUWNLTJYZJFD-SBHAEUEKSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)C[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039985 1094482651 /nfs/dbraw/zinc/48/26/51/1094482651.db2.gz JJSUWNLTJYZJFD-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039985 1094482658 /nfs/dbraw/zinc/48/26/58/1094482658.db2.gz JJSUWNLTJYZJFD-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039985 1094482662 /nfs/dbraw/zinc/48/26/62/1094482662.db2.gz JJSUWNLTJYZJFD-NPDDRXJXSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000474803374 1094639417 /nfs/dbraw/zinc/63/94/17/1094639417.db2.gz AWEDVZMFGNEJLJ-BRGVPRLLSA-N 2 1 372.553 4.141 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000474803374 1094639424 /nfs/dbraw/zinc/63/94/24/1094639424.db2.gz AWEDVZMFGNEJLJ-BRGVPRLLSA-N 2 1 372.553 4.141 20 0 FIADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000474817671 1094663656 /nfs/dbraw/zinc/66/36/56/1094663656.db2.gz PSSZYHIWPWRJJK-XQQGARBVSA-N 2 1 369.509 4.343 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000474872250 1094806822 /nfs/dbraw/zinc/80/68/22/1094806822.db2.gz ZXLHTZBVMLDWDO-UHFFFAOYSA-N 2 1 366.484 4.141 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297690 1094854972 /nfs/dbraw/zinc/85/49/72/1094854972.db2.gz ZDJDWUXSHUPAHA-ZJBJCVSYSA-N 2 1 361.489 4.151 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297690 1094854990 /nfs/dbraw/zinc/85/49/90/1094854990.db2.gz ZDJDWUXSHUPAHA-ZJBJCVSYSA-N 2 1 361.489 4.151 20 0 FIADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000420299106 1094869383 /nfs/dbraw/zinc/86/93/83/1094869383.db2.gz GHEIWIXHZRURSC-QGZVFWFLSA-N 2 1 374.550 4.157 20 0 FIADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000420300930 1094871545 /nfs/dbraw/zinc/87/15/45/1094871545.db2.gz ICMABOXKBOLKMY-QGZVFWFLSA-N 2 1 366.534 4.032 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2c1cccc2Cl ZINC000420312047 1094877002 /nfs/dbraw/zinc/87/70/02/1094877002.db2.gz OBPNVTPOXBQBOA-KDOFPFPSSA-N 2 1 361.942 4.204 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2c1cccc2Cl ZINC000420312047 1094877016 /nfs/dbraw/zinc/87/70/16/1094877016.db2.gz OBPNVTPOXBQBOA-KDOFPFPSSA-N 2 1 361.942 4.204 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000501787436 1094924390 /nfs/dbraw/zinc/92/43/90/1094924390.db2.gz XHZCRFNWUNBWTR-INIZCTEOSA-N 2 1 354.485 4.096 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000474923471 1094924532 /nfs/dbraw/zinc/92/45/32/1094924532.db2.gz GABBJTKOLCPADY-RMJJICAUSA-N 2 1 374.569 4.438 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000501787437 1094924670 /nfs/dbraw/zinc/92/46/70/1094924670.db2.gz XHZCRFNWUNBWTR-MRXNPFEDSA-N 2 1 354.485 4.096 20 0 FIADMP c1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCCC2)cc1 ZINC000420927803 1095168862 /nfs/dbraw/zinc/16/88/62/1095168862.db2.gz CCPCQZCZBKEEHU-UHFFFAOYSA-N 2 1 350.506 4.078 20 0 FIADMP CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960825 1095202413 /nfs/dbraw/zinc/20/24/13/1095202413.db2.gz HZWFCQKJRHEATD-KRWDZBQOSA-N 2 1 356.535 4.092 20 0 FIADMP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420970686 1095216472 /nfs/dbraw/zinc/21/64/72/1095216472.db2.gz IYOMEPYAYQNGDI-OALUTQOASA-N 2 1 370.459 4.120 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)[nH+]1 ZINC000502250671 1095267292 /nfs/dbraw/zinc/26/72/92/1095267292.db2.gz ICUAEXRYNSIYBF-RXVVDRJESA-N 2 1 350.510 4.070 20 0 FIADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000502282638 1095304118 /nfs/dbraw/zinc/30/41/18/1095304118.db2.gz OJYBICSKGRBHDW-PKOBYXMFSA-N 2 1 362.558 4.045 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)c1 ZINC000502285434 1095309613 /nfs/dbraw/zinc/30/96/13/1095309613.db2.gz TZBIXBSUEDQDPF-SFHVURJKSA-N 2 1 370.537 4.185 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443974765 1095444578 /nfs/dbraw/zinc/44/45/78/1095444578.db2.gz WAWVPWALBROAJX-UHFFFAOYSA-N 2 1 357.445 4.292 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443974765 1095444588 /nfs/dbraw/zinc/44/45/88/1095444588.db2.gz WAWVPWALBROAJX-UHFFFAOYSA-N 2 1 357.445 4.292 20 0 FIADMP C[N@H+](Cc1cc(-c2ccccc2)on1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000503190399 1096299947 /nfs/dbraw/zinc/29/99/47/1096299947.db2.gz AAVBCHNQWWDFAI-UHFFFAOYSA-N 2 1 362.477 4.085 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000414663883 1096376047 /nfs/dbraw/zinc/37/60/47/1096376047.db2.gz SEDVPKAIYSUEGC-OALUTQOASA-N 2 1 360.505 4.017 20 0 FIADMP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422695315 1096454659 /nfs/dbraw/zinc/45/46/59/1096454659.db2.gz PJUZAKDGMYEBLZ-UWJYYQICSA-N 2 1 369.509 4.140 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnccc1N ZINC000422733561 1096465617 /nfs/dbraw/zinc/46/56/17/1096465617.db2.gz RDXZPDSHKWDGIE-QGZVFWFLSA-N 2 1 352.526 4.109 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766541 1096485461 /nfs/dbraw/zinc/48/54/61/1096485461.db2.gz RTRODTFAEAUVPM-SZVBFZGTSA-N 3 1 371.491 4.195 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766541 1096485466 /nfs/dbraw/zinc/48/54/66/1096485466.db2.gz RTRODTFAEAUVPM-SZVBFZGTSA-N 3 1 371.491 4.195 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422913431 1096522961 /nfs/dbraw/zinc/52/29/61/1096522961.db2.gz QCLDEWOVLMAQKH-DZOHQFGASA-N 2 1 356.539 4.167 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000422947775 1096536631 /nfs/dbraw/zinc/53/66/31/1096536631.db2.gz YVYCCFRYYRAIAE-DBVUQKKJSA-N 2 1 354.494 4.238 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422959314 1096539207 /nfs/dbraw/zinc/53/92/07/1096539207.db2.gz RLVPKSRIEXNQEQ-ZFWWWQNUSA-N 2 1 352.507 4.384 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503855341 1096567541 /nfs/dbraw/zinc/56/75/41/1096567541.db2.gz CZFCJZQYJOJPAS-QXCFHYIPSA-N 2 1 352.469 4.180 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503855341 1096567547 /nfs/dbraw/zinc/56/75/47/1096567547.db2.gz CZFCJZQYJOJPAS-QXCFHYIPSA-N 2 1 352.469 4.180 20 0 FIADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423144102 1096595917 /nfs/dbraw/zinc/59/59/17/1096595917.db2.gz YLOUKVKOJDEPEK-HSCHXYMDSA-N 2 1 373.338 4.243 20 0 FIADMP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423163034 1096598848 /nfs/dbraw/zinc/59/88/48/1096598848.db2.gz MEVQFNKXEAKPAR-RQSWOZRGSA-N 2 1 362.945 4.113 20 0 FIADMP Brc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423207095 1096607551 /nfs/dbraw/zinc/60/75/51/1096607551.db2.gz GPILHNLNWTZJJR-HNAYVOBHSA-N 2 1 359.311 4.128 20 0 FIADMP CCOc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000414721076 1096607799 /nfs/dbraw/zinc/60/77/99/1096607799.db2.gz FJEMWPRQWIQLTP-HXUWFJFHSA-N 2 1 356.535 4.291 20 0 FIADMP c1csc(C[N@H+](Cc2ccc(C3CC3)cc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000414722441 1096616927 /nfs/dbraw/zinc/61/69/27/1096616927.db2.gz MHKZTWNRYYKUPV-LJQANCHMSA-N 2 1 353.535 4.165 20 0 FIADMP c1csc(C[N@@H+](Cc2ccc(C3CC3)cc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000414722441 1096616934 /nfs/dbraw/zinc/61/69/34/1096616934.db2.gz MHKZTWNRYYKUPV-LJQANCHMSA-N 2 1 353.535 4.165 20 0 FIADMP Cc1cc(C)c(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000414725846 1096619360 /nfs/dbraw/zinc/61/93/60/1096619360.db2.gz XAUBOOOGQXOELC-LJQANCHMSA-N 2 1 355.551 4.213 20 0 FIADMP Cc1cc(C)c(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000414725846 1096619364 /nfs/dbraw/zinc/61/93/64/1096619364.db2.gz XAUBOOOGQXOELC-LJQANCHMSA-N 2 1 355.551 4.213 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CC[NH2+]1 ZINC000423387061 1096662829 /nfs/dbraw/zinc/66/28/29/1096662829.db2.gz SIIVUUVNWHAGQX-ZMYBRWDISA-N 2 1 359.311 4.269 20 0 FIADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414739238 1096668000 /nfs/dbraw/zinc/66/80/00/1096668000.db2.gz PXUZRDQLVRJUMJ-KGLIPLIRSA-N 2 1 372.340 4.032 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423511697 1096710117 /nfs/dbraw/zinc/71/01/17/1096710117.db2.gz NYFFTAXPPZNEEA-KXTRFFEISA-N 3 1 365.565 4.499 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000532971455 1098640528 /nfs/dbraw/zinc/64/05/28/1098640528.db2.gz HYCDITRDHSKLMN-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000532971455 1098640536 /nfs/dbraw/zinc/64/05/36/1098640536.db2.gz HYCDITRDHSKLMN-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000532971455 1098640544 /nfs/dbraw/zinc/64/05/44/1098640544.db2.gz HYCDITRDHSKLMN-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000532971455 1098640551 /nfs/dbraw/zinc/64/05/51/1098640551.db2.gz HYCDITRDHSKLMN-RTBURBONSA-N 2 1 365.521 4.274 20 0 FIADMP CC(C)N(C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000515518348 1098656877 /nfs/dbraw/zinc/65/68/77/1098656877.db2.gz GBVMETATKKGWLA-WOJBJXKFSA-N 2 1 373.585 4.042 20 0 FIADMP CCC[N@H+](C/C=C/c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060839 1098726417 /nfs/dbraw/zinc/72/64/17/1098726417.db2.gz VPJZBVYYISGAGI-DHZHZOJOSA-N 2 1 364.537 4.488 20 0 FIADMP CCC[N@@H+](C/C=C/c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060839 1098726427 /nfs/dbraw/zinc/72/64/27/1098726427.db2.gz VPJZBVYYISGAGI-DHZHZOJOSA-N 2 1 364.537 4.488 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650114 1098806828 /nfs/dbraw/zinc/80/68/28/1098806828.db2.gz JFMUTVYOWHAATP-NHCUHLMSSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650114 1098806839 /nfs/dbraw/zinc/80/68/39/1098806839.db2.gz JFMUTVYOWHAATP-NHCUHLMSSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]([N@@H+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650114 1098806849 /nfs/dbraw/zinc/80/68/49/1098806849.db2.gz JFMUTVYOWHAATP-NHCUHLMSSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]([N@H+]3CCC[C@@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650114 1098806860 /nfs/dbraw/zinc/80/68/60/1098806860.db2.gz JFMUTVYOWHAATP-NHCUHLMSSA-N 2 1 356.579 4.403 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000515676901 1098837757 /nfs/dbraw/zinc/83/77/57/1098837757.db2.gz AHKALCXJOOPINJ-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000515676901 1098837766 /nfs/dbraw/zinc/83/77/66/1098837766.db2.gz AHKALCXJOOPINJ-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000436302388 1098915493 /nfs/dbraw/zinc/91/54/93/1098915493.db2.gz UEADMBQOXNCXAC-KRZXBLKESA-N 2 1 364.961 4.313 20 0 FIADMP Cc1csc([C@@H](C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000248744168 1099409136 /nfs/dbraw/zinc/40/91/36/1099409136.db2.gz ANYYVFYLBKDTOO-QLIIJSOBSA-N 2 1 355.551 4.340 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000161891169 1099549487 /nfs/dbraw/zinc/54/94/87/1099549487.db2.gz CGLDKNUCYKWOLJ-INIZCTEOSA-N 2 1 363.461 4.193 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)s3)CC2)nc(C)[nH+]1 ZINC000162244681 1099668439 /nfs/dbraw/zinc/66/84/39/1099668439.db2.gz UBBUTKJZXZZTMH-LBPRGKRZSA-N 2 1 350.919 4.128 20 0 FIADMP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000262629021 1099725951 /nfs/dbraw/zinc/72/59/51/1099725951.db2.gz GPUSRTCGZZSDQK-UWJYYQICSA-N 2 1 351.494 4.008 20 0 FIADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000508682443 1099816856 /nfs/dbraw/zinc/81/68/56/1099816856.db2.gz YEVMPMICZZUJJN-OAHLLOKOSA-N 2 1 371.431 4.413 20 0 FIADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000508682443 1099816869 /nfs/dbraw/zinc/81/68/69/1099816869.db2.gz YEVMPMICZZUJJN-OAHLLOKOSA-N 2 1 371.431 4.413 20 0 FIADMP C[C@H]([NH2+]CCc1cccc2cccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700782 1099854629 /nfs/dbraw/zinc/85/46/29/1099854629.db2.gz RJNFXKMFCMUMDV-CVDCTZTESA-N 2 1 359.517 4.278 20 0 FIADMP C[C@]1(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCC[NH2+]C1 ZINC000414902710 1099856854 /nfs/dbraw/zinc/85/68/54/1099856854.db2.gz HJQBNMYXDNYWRB-NRFANRHFSA-N 2 1 371.912 4.072 20 0 FIADMP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714329 1099883773 /nfs/dbraw/zinc/88/37/73/1099883773.db2.gz GZLDRXFFPUILJB-HBFSDRIKSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@H]([NH2+][C@H](CCCO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713914 1099885849 /nfs/dbraw/zinc/88/58/49/1099885849.db2.gz GOOBVPBIKZZVJD-AJSBUHFISA-N 2 1 352.522 4.000 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709972 1099898465 /nfs/dbraw/zinc/89/84/65/1099898465.db2.gz KNQCSAZHQMXPGQ-QESAQDPVSA-N 2 1 358.570 4.328 20 0 FIADMP C[C@H]([NH2+]CCCCOc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721373 1099937056 /nfs/dbraw/zinc/93/70/56/1099937056.db2.gz PGLIQDTZLOHXOY-FPOVZHCZSA-N 2 1 370.512 4.485 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000437489248 1099951858 /nfs/dbraw/zinc/95/18/58/1099951858.db2.gz ZAJMXQZISZICCC-OAQYLSRUSA-N 2 1 373.585 4.012 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000459448733 1100184906 /nfs/dbraw/zinc/18/49/06/1100184906.db2.gz SGLCYTUZHABYBW-CQSZACIVSA-N 2 1 365.321 4.265 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459473776 1100225289 /nfs/dbraw/zinc/22/52/89/1100225289.db2.gz XLFFZUFELIGRNG-WMLDXEAASA-N 2 1 372.582 4.324 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459473776 1100225300 /nfs/dbraw/zinc/22/53/00/1100225300.db2.gz XLFFZUFELIGRNG-WMLDXEAASA-N 2 1 372.582 4.324 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643903 1100251847 /nfs/dbraw/zinc/25/18/47/1100251847.db2.gz BOXKCOBFQKNQHJ-NRSPTQNISA-N 2 1 350.506 4.195 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643903 1100251848 /nfs/dbraw/zinc/25/18/48/1100251848.db2.gz BOXKCOBFQKNQHJ-NRSPTQNISA-N 2 1 350.506 4.195 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000379649050 1100254911 /nfs/dbraw/zinc/25/49/11/1100254911.db2.gz NPXJYXGHOLRGNI-LLBVYWAGSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CC[N@H+]1Cc1ccccc1 ZINC000379649050 1100254917 /nfs/dbraw/zinc/25/49/17/1100254917.db2.gz NPXJYXGHOLRGNI-LLBVYWAGSA-N 2 1 350.506 4.412 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@@H](C)C1 ZINC000536859034 1100375296 /nfs/dbraw/zinc/37/52/96/1100375296.db2.gz RKPVRMUTVRQKAA-RXVVDRJESA-N 2 1 368.521 4.094 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@@H](C)C1 ZINC000536859034 1100375299 /nfs/dbraw/zinc/37/52/99/1100375299.db2.gz RKPVRMUTVRQKAA-RXVVDRJESA-N 2 1 368.521 4.094 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000536875002 1100397176 /nfs/dbraw/zinc/39/71/76/1100397176.db2.gz GPVBCVYDKCMWIM-CRAIPNDOSA-N 2 1 373.368 4.263 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438089849 1100414424 /nfs/dbraw/zinc/41/44/24/1100414424.db2.gz SBOGQORKAPZSFF-UHFFFAOYSA-N 2 1 352.522 4.408 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)C[C@H](C)O1 ZINC000517538995 1100460190 /nfs/dbraw/zinc/46/01/90/1100460190.db2.gz VWIZDOLSTSJFHP-HMVHIAHLSA-N 2 1 350.506 4.099 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000517547067 1100489013 /nfs/dbraw/zinc/48/90/13/1100489013.db2.gz FJVKQNOFHHSYPB-HXUWFJFHSA-N 2 1 362.521 4.236 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CCCCOc3ccccc3)C2)c1 ZINC000438203636 1100496612 /nfs/dbraw/zinc/49/66/12/1100496612.db2.gz STSKGJVGOBWKDY-IBGZPJMESA-N 2 1 358.551 4.409 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CCCCOc3ccccc3)C2)c1 ZINC000438203636 1100496618 /nfs/dbraw/zinc/49/66/18/1100496618.db2.gz STSKGJVGOBWKDY-IBGZPJMESA-N 2 1 358.551 4.409 20 0 FIADMP Cc1cccc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000506207591 1100597577 /nfs/dbraw/zinc/59/75/77/1100597577.db2.gz RPTBQIWYRCDXJS-UHFFFAOYSA-N 2 1 351.538 4.157 20 0 FIADMP COc1ccc(CC(C)(C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000438341119 1100612608 /nfs/dbraw/zinc/61/26/08/1100612608.db2.gz ZPPIGFASRKHPCL-UHFFFAOYSA-N 2 1 373.566 4.029 20 0 FIADMP COc1ccc(CC(C)(C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000438341119 1100612610 /nfs/dbraw/zinc/61/26/10/1100612610.db2.gz ZPPIGFASRKHPCL-UHFFFAOYSA-N 2 1 373.566 4.029 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC000426062577 1100755023 /nfs/dbraw/zinc/75/50/23/1100755023.db2.gz XZCGMDFJLSWASW-OXQOHEQNSA-N 2 1 361.489 4.397 20 0 FIADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000414943861 1100870988 /nfs/dbraw/zinc/87/09/88/1100870988.db2.gz FVMBVWSLGGSRDH-DNVCBOLYSA-N 2 1 374.912 4.158 20 0 FIADMP Cc1cnn(-c2cc[nH+]cc2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000518236811 1101035367 /nfs/dbraw/zinc/03/53/67/1101035367.db2.gz ZSYDPMBQPJPBAP-UYAOXDASSA-N 2 1 361.493 4.041 20 0 FIADMP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C2CC2)c1 ZINC000467379013 1101041246 /nfs/dbraw/zinc/04/12/46/1101041246.db2.gz YVZPFHZOOFBZFK-YWZLYKJASA-N 2 1 359.514 4.235 20 0 FIADMP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C2CC2)c1 ZINC000467379013 1101041252 /nfs/dbraw/zinc/04/12/52/1101041252.db2.gz YVZPFHZOOFBZFK-YWZLYKJASA-N 2 1 359.514 4.235 20 0 FIADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414976416 1101096276 /nfs/dbraw/zinc/09/62/76/1101096276.db2.gz PXTUHOPFHZOFJV-CYBMUJFWSA-N 2 1 354.338 4.202 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426327993 1101281683 /nfs/dbraw/zinc/28/16/83/1101281683.db2.gz WQRFKOFZJQXRDI-VKJFTORMSA-N 2 1 365.359 4.189 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000459724184 1101345664 /nfs/dbraw/zinc/34/56/64/1101345664.db2.gz AIMFSMCNOYNHKS-NXVRBGIVSA-N 2 1 351.332 4.017 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)C1 ZINC000518760768 1101532835 /nfs/dbraw/zinc/53/28/35/1101532835.db2.gz XHUKDOBIPBGHGX-JOCHJYFZSA-N 2 1 352.522 4.396 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399554 1102170169 /nfs/dbraw/zinc/17/01/69/1102170169.db2.gz UAHHTPJNUBAYOQ-WIYYLYMNSA-N 2 1 350.506 4.110 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399554 1102170175 /nfs/dbraw/zinc/17/01/75/1102170175.db2.gz UAHHTPJNUBAYOQ-WIYYLYMNSA-N 2 1 350.506 4.110 20 0 FIADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000537630880 1102254738 /nfs/dbraw/zinc/25/47/38/1102254738.db2.gz GKTYGKUMKXUPTB-WIYYLYMNSA-N 2 1 368.521 4.189 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655751168 1102267806 /nfs/dbraw/zinc/26/78/06/1102267806.db2.gz FXCZQGDOSUSXPG-DENIHFKCSA-N 2 1 371.569 4.429 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655751168 1102267812 /nfs/dbraw/zinc/26/78/12/1102267812.db2.gz FXCZQGDOSUSXPG-DENIHFKCSA-N 2 1 371.569 4.429 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000415062074 1102272121 /nfs/dbraw/zinc/27/21/21/1102272121.db2.gz ZNXKLBFGBYEXTJ-UEVCKROQSA-N 3 1 351.538 4.109 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000415062074 1102272133 /nfs/dbraw/zinc/27/21/33/1102272133.db2.gz ZNXKLBFGBYEXTJ-UEVCKROQSA-N 3 1 351.538 4.109 20 0 FIADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783436 1102295661 /nfs/dbraw/zinc/29/56/61/1102295661.db2.gz ZXDJQUTWBRFZLD-FGZHOGPDSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783436 1102295665 /nfs/dbraw/zinc/29/56/65/1102295665.db2.gz ZXDJQUTWBRFZLD-FGZHOGPDSA-N 2 1 360.505 4.012 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000532524398 1102443247 /nfs/dbraw/zinc/44/32/47/1102443247.db2.gz FSFSHFVWLILMJS-VKJFTORMSA-N 2 1 354.460 4.445 20 0 FIADMP CC1CC[NH+](CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000216436343 1102456196 /nfs/dbraw/zinc/45/61/96/1102456196.db2.gz YEDOMHVIMMRGQC-UHFFFAOYSA-N 2 1 357.542 4.122 20 0 FIADMP CC1CC[NH+](CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000216436343 1102456212 /nfs/dbraw/zinc/45/62/12/1102456212.db2.gz YEDOMHVIMMRGQC-UHFFFAOYSA-N 2 1 357.542 4.122 20 0 FIADMP COc1cccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC000519561652 1102645237 /nfs/dbraw/zinc/64/52/37/1102645237.db2.gz UIDGCZKVSTXRMI-DKUWSORSSA-N 2 1 362.517 4.470 20 0 FIADMP COc1cccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC000519561652 1102645245 /nfs/dbraw/zinc/64/52/45/1102645245.db2.gz UIDGCZKVSTXRMI-DKUWSORSSA-N 2 1 362.517 4.470 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000537647478 1102648032 /nfs/dbraw/zinc/64/80/32/1102648032.db2.gz HDSQYWXMPVHSAA-HXUWFJFHSA-N 2 1 353.510 4.346 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000537647478 1102648040 /nfs/dbraw/zinc/64/80/40/1102648040.db2.gz HDSQYWXMPVHSAA-HXUWFJFHSA-N 2 1 353.510 4.346 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000550882055 1102653088 /nfs/dbraw/zinc/65/30/88/1102653088.db2.gz HPYKZMUOLWBWHY-SKWRMQMOSA-N 2 1 370.581 4.330 20 0 FIADMP CN(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cccs1 ZINC000550886562 1102658161 /nfs/dbraw/zinc/65/81/61/1102658161.db2.gz HVBAGCFEZMYCQP-CBNMVNINSA-N 2 1 371.594 4.384 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001168252613 1102659928 /nfs/dbraw/zinc/65/99/28/1102659928.db2.gz PMPSHFJTZNVPLJ-OAQYLSRUSA-N 2 1 364.961 4.398 20 0 FIADMP CN(C(=O)OC(C)(C)C)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168352767 1102679174 /nfs/dbraw/zinc/67/91/74/1102679174.db2.gz DDFCLERMRBOUAV-UHFFFAOYSA-N 2 1 373.541 4.022 20 0 FIADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007036 1102759177 /nfs/dbraw/zinc/75/91/77/1102759177.db2.gz CJCMUSGMYRALRJ-FGZHOGPDSA-N 2 1 365.521 4.350 20 0 FIADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187911253 1102779893 /nfs/dbraw/zinc/77/98/93/1102779893.db2.gz TWULWQJTIDCKCS-NHCUHLMSSA-N 2 1 358.551 4.336 20 0 FIADMP CN(C)c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032626 1102837884 /nfs/dbraw/zinc/83/78/84/1102837884.db2.gz WTBWVORRJVEVOC-NFBKMPQASA-N 2 1 374.532 4.226 20 0 FIADMP CN(C)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032626 1102837906 /nfs/dbraw/zinc/83/79/06/1102837906.db2.gz WTBWVORRJVEVOC-NFBKMPQASA-N 2 1 374.532 4.226 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551051131 1102863251 /nfs/dbraw/zinc/86/32/51/1102863251.db2.gz NSDBUMCRBQJDGP-XAUMDUMWSA-N 2 1 372.484 4.329 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694552 1102874929 /nfs/dbraw/zinc/87/49/29/1102874929.db2.gz MKMVTLQGCGWRLJ-LMNJBCLMSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694552 1102874948 /nfs/dbraw/zinc/87/49/48/1102874948.db2.gz MKMVTLQGCGWRLJ-LMNJBCLMSA-N 2 1 374.912 4.284 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000550275065 1102911741 /nfs/dbraw/zinc/91/17/41/1102911741.db2.gz PHYORHARDJMNIS-REWPJTCUSA-N 2 1 352.497 4.226 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000551176113 1102948183 /nfs/dbraw/zinc/94/81/83/1102948183.db2.gz UOJALELOZIIAHO-MKWLTTDUSA-N 2 1 351.538 4.103 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000537696096 1102956444 /nfs/dbraw/zinc/95/64/44/1102956444.db2.gz DFEKWYXMBJZPNG-RBDMOPTHSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000537696096 1102956446 /nfs/dbraw/zinc/95/64/46/1102956446.db2.gz DFEKWYXMBJZPNG-RBDMOPTHSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[NH+]4CCCCCC4)cc3)cn2c1 ZINC000551187024 1102959642 /nfs/dbraw/zinc/95/96/42/1102959642.db2.gz XFGMFGHILXYPBV-UHFFFAOYSA-N 2 1 362.521 4.309 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000476988237 1102992235 /nfs/dbraw/zinc/99/22/35/1102992235.db2.gz VHHUFZSPXVUUCR-GOSISDBHSA-N 2 1 368.525 4.213 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000476988237 1102992238 /nfs/dbraw/zinc/99/22/38/1102992238.db2.gz VHHUFZSPXVUUCR-GOSISDBHSA-N 2 1 368.525 4.213 20 0 FIADMP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476985656 1103004940 /nfs/dbraw/zinc/00/49/40/1103004940.db2.gz OJTFPMZTAADFNR-WOJBJXKFSA-N 2 1 371.569 4.014 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000476987098 1103005052 /nfs/dbraw/zinc/00/50/52/1103005052.db2.gz QNYNYVDOBRWKLF-MRXNPFEDSA-N 2 1 359.489 4.443 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000476987098 1103005064 /nfs/dbraw/zinc/00/50/64/1103005064.db2.gz QNYNYVDOBRWKLF-MRXNPFEDSA-N 2 1 359.489 4.443 20 0 FIADMP Clc1ccccc1C1CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000509672468 1103126844 /nfs/dbraw/zinc/12/68/44/1103126844.db2.gz KBODNQWFLXSSRW-UHFFFAOYSA-N 2 1 370.924 4.208 20 0 FIADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001203214045 1103256023 /nfs/dbraw/zinc/25/60/23/1103256023.db2.gz BBZBVTZYTLUCDO-SJORKVTESA-N 2 1 353.348 4.233 20 0 FIADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)c1 ZINC000551575102 1103385815 /nfs/dbraw/zinc/38/58/15/1103385815.db2.gz BXUHVGLAJHXMMM-UHFFFAOYSA-N 2 1 356.363 4.076 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC000507519398 1103443543 /nfs/dbraw/zinc/44/35/43/1103443543.db2.gz IEXYWXKDJFBEKV-AJSBUHFISA-N 2 1 362.517 4.185 20 0 FIADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCS2 ZINC000427542103 1103637203 /nfs/dbraw/zinc/63/72/03/1103637203.db2.gz VBSVYMCDFFWFOV-WSTZPKSXSA-N 2 1 362.583 4.319 20 0 FIADMP COc1ccccc1CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167988576 1103945004 /nfs/dbraw/zinc/94/50/04/1103945004.db2.gz QSZGXUFUXURYCU-AIZNXBIQSA-N 2 1 368.565 4.355 20 0 FIADMP COc1ccc(C)cc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843732 1103965099 /nfs/dbraw/zinc/96/50/99/1103965099.db2.gz VNFGJEVYPYXASG-UHFFFAOYSA-N 2 1 353.510 4.137 20 0 FIADMP COc1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000537840942 1103965171 /nfs/dbraw/zinc/96/51/71/1103965171.db2.gz HPADUAUFZNXRNQ-UHFFFAOYSA-N 2 1 373.928 4.482 20 0 FIADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073343 1104116030 /nfs/dbraw/zinc/11/60/30/1104116030.db2.gz XETKXQJJCXJKGX-ZIAGYGMSSA-N 2 1 361.477 4.216 20 0 FIADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073343 1104116040 /nfs/dbraw/zinc/11/60/40/1104116040.db2.gz XETKXQJJCXJKGX-ZIAGYGMSSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073343 1104116051 /nfs/dbraw/zinc/11/60/51/1104116051.db2.gz XETKXQJJCXJKGX-ZIAGYGMSSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073343 1104116058 /nfs/dbraw/zinc/11/60/58/1104116058.db2.gz XETKXQJJCXJKGX-ZIAGYGMSSA-N 2 1 361.477 4.216 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000520307055 1104242593 /nfs/dbraw/zinc/24/25/93/1104242593.db2.gz UMOOQDSAOIGWFV-FQEVSTJZSA-N 2 1 373.928 4.423 20 0 FIADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441413464 1104339511 /nfs/dbraw/zinc/33/95/11/1104339511.db2.gz XOLSBLCUIFUXEX-CRAIPNDOSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441413464 1104339523 /nfs/dbraw/zinc/33/95/23/1104339523.db2.gz XOLSBLCUIFUXEX-CRAIPNDOSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441413464 1104339534 /nfs/dbraw/zinc/33/95/34/1104339534.db2.gz XOLSBLCUIFUXEX-CRAIPNDOSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)Oc1cccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441404534 1104345426 /nfs/dbraw/zinc/34/54/26/1104345426.db2.gz SWRMFXUHNWBXTA-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404534 1104345435 /nfs/dbraw/zinc/34/54/35/1104345435.db2.gz SWRMFXUHNWBXTA-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404534 1104345447 /nfs/dbraw/zinc/34/54/47/1104345447.db2.gz SWRMFXUHNWBXTA-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP c1ccc(CO[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167994250 1104491686 /nfs/dbraw/zinc/49/16/86/1104491686.db2.gz AGJCTDIGVFLTJB-KORDQABASA-N 2 1 354.538 4.073 20 0 FIADMP c1ccc(CO[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167994250 1104491692 /nfs/dbraw/zinc/49/16/92/1104491692.db2.gz AGJCTDIGVFLTJB-KORDQABASA-N 2 1 354.538 4.073 20 0 FIADMP c1ccc(CO[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167994250 1104491696 /nfs/dbraw/zinc/49/16/96/1104491696.db2.gz AGJCTDIGVFLTJB-KORDQABASA-N 2 1 354.538 4.073 20 0 FIADMP CC(=O)C1(c2ccccc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995888 1104579203 /nfs/dbraw/zinc/57/92/03/1104579203.db2.gz UOWXFHCBHQMGTE-AIZNXBIQSA-N 2 1 366.549 4.015 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[C@H](C)O1 ZINC000579545946 1105075248 /nfs/dbraw/zinc/07/52/48/1105075248.db2.gz KJYMRRHKUYUDRM-NFVALVNTSA-N 2 1 356.554 4.223 20 0 FIADMP CC[C@H]1C[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000507792830 1105093921 /nfs/dbraw/zinc/09/39/21/1105093921.db2.gz GAXXTPCLVXJCIS-YADHBBJMSA-N 2 1 356.554 4.180 20 0 FIADMP Cc1cccn2c(C[NH2+]C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)cnc12 ZINC001168007432 1105130135 /nfs/dbraw/zinc/13/01/35/1105130135.db2.gz AQPHGOBIFBJRPS-RTBURBONSA-N 2 1 362.521 4.174 20 0 FIADMP C[C@@H]1CC([N@@H+](CCC[NH3+])C2CCCCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168008004 1105151408 /nfs/dbraw/zinc/15/14/08/1105151408.db2.gz CBOQXHDJVIYEQE-WOJBJXKFSA-N 2 1 357.586 4.412 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427670399 1105238736 /nfs/dbraw/zinc/23/87/36/1105238736.db2.gz DXOWZCVLJYMPSN-YJBOKZPZSA-N 2 1 369.475 4.435 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000507912811 1105264442 /nfs/dbraw/zinc/26/44/42/1105264442.db2.gz HZVCWYJVOHYNBR-UHFFFAOYSA-N 2 1 355.404 4.001 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000507912811 1105264445 /nfs/dbraw/zinc/26/44/45/1105264445.db2.gz HZVCWYJVOHYNBR-UHFFFAOYSA-N 2 1 355.404 4.001 20 0 FIADMP C[N@@H+](CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000507920888 1105266797 /nfs/dbraw/zinc/26/67/97/1105266797.db2.gz VGSUIHLBCVBTHL-UHFFFAOYSA-N 2 1 352.563 4.131 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000427866785 1105303850 /nfs/dbraw/zinc/30/38/50/1105303850.db2.gz MIOPJNCBRNHOJK-XLIONFOSSA-N 2 1 355.551 4.194 20 0 FIADMP CCSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000427866785 1105303857 /nfs/dbraw/zinc/30/38/57/1105303857.db2.gz MIOPJNCBRNHOJK-XLIONFOSSA-N 2 1 355.551 4.194 20 0 FIADMP Cn1nccc1-c1ccccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000508238259 1105372624 /nfs/dbraw/zinc/37/26/24/1105372624.db2.gz VWUCNRXLDMQROV-UHFFFAOYSA-N 2 1 374.532 4.184 20 0 FIADMP Cn1nccc1-c1ccccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000508238259 1105372632 /nfs/dbraw/zinc/37/26/32/1105372632.db2.gz VWUCNRXLDMQROV-UHFFFAOYSA-N 2 1 374.532 4.184 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978479 1106902567 /nfs/dbraw/zinc/90/25/67/1106902567.db2.gz XQTYMLUGLSPARW-DNVCBOLYSA-N 2 1 364.497 4.081 20 0 FIADMP CC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000451067700 1106918706 /nfs/dbraw/zinc/91/87/06/1106918706.db2.gz PDRYQPSDMBBORM-UHFFFAOYSA-N 2 1 362.517 4.377 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662500 1107233469 /nfs/dbraw/zinc/23/34/69/1107233469.db2.gz PANMIBQPRIECOQ-PGRDOPGGSA-N 2 1 365.521 4.244 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662500 1107233482 /nfs/dbraw/zinc/23/34/82/1107233482.db2.gz PANMIBQPRIECOQ-PGRDOPGGSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662500 1107233499 /nfs/dbraw/zinc/23/34/99/1107233499.db2.gz PANMIBQPRIECOQ-PGRDOPGGSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662500 1107233508 /nfs/dbraw/zinc/23/35/08/1107233508.db2.gz PANMIBQPRIECOQ-PGRDOPGGSA-N 2 1 365.521 4.244 20 0 FIADMP Cc1cccc2ncc(C[NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)n21 ZINC000530904051 1107389422 /nfs/dbraw/zinc/38/94/22/1107389422.db2.gz YDIOZFGKZJOARM-UHFFFAOYSA-N 2 1 374.488 4.158 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508135 1107904957 /nfs/dbraw/zinc/90/49/57/1107904957.db2.gz JQPIQWRNBCELHW-CHWSQXEVSA-N 2 1 363.299 4.330 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508135 1107904962 /nfs/dbraw/zinc/90/49/62/1107904962.db2.gz JQPIQWRNBCELHW-CHWSQXEVSA-N 2 1 363.299 4.330 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000531708772 1108089991 /nfs/dbraw/zinc/08/99/91/1108089991.db2.gz ZCRNIWBEGGIAEB-INIZCTEOSA-N 2 1 353.441 4.260 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccsc1 ZINC000453066177 1108119118 /nfs/dbraw/zinc/11/91/18/1108119118.db2.gz QRTJJUKNQXQTIF-NRFANRHFSA-N 2 1 357.567 4.127 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cs1 ZINC000453071151 1108122797 /nfs/dbraw/zinc/12/27/97/1108122797.db2.gz CVARKYKNBJJPMX-PWRODBHTSA-N 2 1 355.551 4.027 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000453138506 1108214318 /nfs/dbraw/zinc/21/43/18/1108214318.db2.gz AFVIVGRUHJIDJM-LILXYRQWSA-N 2 1 356.554 4.223 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453140918 1108216694 /nfs/dbraw/zinc/21/66/94/1108216694.db2.gz ZTURPJIYYHUWLG-VQTJNVASSA-N 2 1 361.917 4.005 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC000453178832 1108222110 /nfs/dbraw/zinc/22/21/10/1108222110.db2.gz TWKVYAPCONHUGX-OALUTQOASA-N 2 1 354.542 4.106 20 0 FIADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453169888 1108244294 /nfs/dbraw/zinc/24/42/94/1108244294.db2.gz KRMCEKXEQBNLFW-XPWALMASSA-N 2 1 374.532 4.138 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218067 1108288717 /nfs/dbraw/zinc/28/87/17/1108288717.db2.gz GGPWCKDXEUDOFC-GOTSBHOMSA-N 2 1 368.565 4.084 20 0 FIADMP Clc1ccccc1C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCO1 ZINC000453231455 1108304476 /nfs/dbraw/zinc/30/44/76/1108304476.db2.gz WFFODLUMDRCEGG-RRIIRSAJSA-N 2 1 362.945 4.037 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294644 1108370451 /nfs/dbraw/zinc/37/04/51/1108370451.db2.gz WTDPKVHDSHEQFK-YJBOKZPZSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000453294644 1108370467 /nfs/dbraw/zinc/37/04/67/1108370467.db2.gz WTDPKVHDSHEQFK-YJBOKZPZSA-N 2 1 363.427 4.101 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1 ZINC000531945446 1108390524 /nfs/dbraw/zinc/39/05/24/1108390524.db2.gz YUXFNWBSNSCHCG-YWZLYKJASA-N 2 1 354.523 4.196 20 0 FIADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000453311747 1108398526 /nfs/dbraw/zinc/39/85/26/1108398526.db2.gz BIZASZCWHMPEGP-CCSDVLNMSA-N 2 1 356.554 4.223 20 0 FIADMP CO[C@@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319420 1108407502 /nfs/dbraw/zinc/40/75/02/1108407502.db2.gz KUDADVQDLHAFNJ-KIHHCIJBSA-N 2 1 364.533 4.333 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000531936103 1108409767 /nfs/dbraw/zinc/40/97/67/1108409767.db2.gz CMRLWPBPUARYKA-OALUTQOASA-N 2 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000531936103 1108409778 /nfs/dbraw/zinc/40/97/78/1108409778.db2.gz CMRLWPBPUARYKA-OALUTQOASA-N 3 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000531936103 1108409788 /nfs/dbraw/zinc/40/97/88/1108409788.db2.gz CMRLWPBPUARYKA-OALUTQOASA-N 3 1 354.542 4.486 20 0 FIADMP CSC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000453333738 1108424607 /nfs/dbraw/zinc/42/46/07/1108424607.db2.gz BXZDBWIXIWWQDJ-NPYXIHBLSA-N 2 1 358.473 4.324 20 0 FIADMP CSC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000453333738 1108424613 /nfs/dbraw/zinc/42/46/13/1108424613.db2.gz BXZDBWIXIWWQDJ-NPYXIHBLSA-N 2 1 358.473 4.324 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2nccn21 ZINC000453364807 1108478496 /nfs/dbraw/zinc/47/84/96/1108478496.db2.gz SKEAHDBXJJGQBO-VOFPXKNKSA-N 2 1 364.537 4.169 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2nccn21 ZINC000453364807 1108478506 /nfs/dbraw/zinc/47/85/06/1108478506.db2.gz SKEAHDBXJJGQBO-VOFPXKNKSA-N 2 1 364.537 4.169 20 0 FIADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453375620 1108493902 /nfs/dbraw/zinc/49/39/02/1108493902.db2.gz XYUFOVXBZZLOOD-JSITXCQRSA-N 2 1 357.325 4.364 20 0 FIADMP C[N@@H+](CCCC[NH2+]C1CC(c2ccc(Br)cc2)C1)C1CC1 ZINC000453399767 1108501674 /nfs/dbraw/zinc/50/16/74/1108501674.db2.gz LIKSUVNKMBWFFB-UHFFFAOYSA-N 2 1 351.332 4.159 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453432466 1108555552 /nfs/dbraw/zinc/55/55/52/1108555552.db2.gz SAOCYKZUERRACG-OYNPSCLESA-N 2 1 370.562 4.468 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453432466 1108555560 /nfs/dbraw/zinc/55/55/60/1108555560.db2.gz SAOCYKZUERRACG-OYNPSCLESA-N 2 1 370.562 4.468 20 0 FIADMP c1snnc1C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453594029 1108650201 /nfs/dbraw/zinc/65/02/01/1108650201.db2.gz DMCSOYRROJLKTG-OAQYLSRUSA-N 2 1 370.566 4.195 20 0 FIADMP c1nc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000453593223 1108650367 /nfs/dbraw/zinc/65/03/67/1108650367.db2.gz BNPGVGRMVLELMR-QFIPXVFZSA-N 2 1 353.510 4.331 20 0 FIADMP Cn1cncc1C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453600685 1108651183 /nfs/dbraw/zinc/65/11/83/1108651183.db2.gz RTFNDASFCZNFOD-HSZRJFAPSA-N 2 1 366.553 4.077 20 0 FIADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000525119434 1109269054 /nfs/dbraw/zinc/26/90/54/1109269054.db2.gz GOMZCGXJJBAICG-GJZGRUSLSA-N 2 1 371.352 4.315 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749919 1109328641 /nfs/dbraw/zinc/32/86/41/1109328641.db2.gz CYJLHOQYDVBQMX-YVEFUNNKSA-N 2 1 371.750 4.485 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000446749919 1109328644 /nfs/dbraw/zinc/32/86/44/1109328644.db2.gz CYJLHOQYDVBQMX-YVEFUNNKSA-N 2 1 371.750 4.485 20 0 FIADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835790 1109356126 /nfs/dbraw/zinc/35/61/26/1109356126.db2.gz QLHSPOKCKRRKEO-VGOFRKELSA-N 2 1 366.530 4.189 20 0 FIADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835790 1109356129 /nfs/dbraw/zinc/35/61/29/1109356129.db2.gz QLHSPOKCKRRKEO-VGOFRKELSA-N 2 1 366.530 4.189 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000525709057 1109487962 /nfs/dbraw/zinc/48/79/62/1109487962.db2.gz IXZBSGZXAIPMRD-GHTZIAJQSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000525709057 1109487965 /nfs/dbraw/zinc/48/79/65/1109487965.db2.gz IXZBSGZXAIPMRD-GHTZIAJQSA-N 2 1 368.521 4.237 20 0 FIADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000447432856 1109538359 /nfs/dbraw/zinc/53/83/59/1109538359.db2.gz XYDSHQAWAWFZIU-UHFFFAOYSA-N 2 1 357.523 4.048 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000447527310 1109563116 /nfs/dbraw/zinc/56/31/16/1109563116.db2.gz DRHORBHZTGSYLC-KRWDZBQOSA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000447530338 1109564250 /nfs/dbraw/zinc/56/42/50/1109564250.db2.gz MHGYUXGYHMIVPR-IRXDYDNUSA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000447530338 1109564255 /nfs/dbraw/zinc/56/42/55/1109564255.db2.gz MHGYUXGYHMIVPR-IRXDYDNUSA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000447530339 1109564541 /nfs/dbraw/zinc/56/45/41/1109564541.db2.gz MHGYUXGYHMIVPR-SJORKVTESA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000447530339 1109564543 /nfs/dbraw/zinc/56/45/43/1109564543.db2.gz MHGYUXGYHMIVPR-SJORKVTESA-N 2 1 370.493 4.149 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000447513572 1109566464 /nfs/dbraw/zinc/56/64/64/1109566464.db2.gz XJJPJEXIMJTSCL-BJKOFHAPSA-N 2 1 364.533 4.493 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C)oc3C)CC2)cs1 ZINC000447534830 1109570148 /nfs/dbraw/zinc/57/01/48/1109570148.db2.gz AILDEOXILGUSJJ-OAHLLOKOSA-N 2 1 361.555 4.478 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000447542631 1109573523 /nfs/dbraw/zinc/57/35/23/1109573523.db2.gz PFQGQVRLSJEJPU-IAGOWNOFSA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000447542631 1109573525 /nfs/dbraw/zinc/57/35/25/1109573525.db2.gz PFQGQVRLSJEJPU-IAGOWNOFSA-N 2 1 370.493 4.291 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccsc1 ZINC000447546302 1109575226 /nfs/dbraw/zinc/57/52/26/1109575226.db2.gz USWDOJDHIOLLCA-KJJMTIBFSA-N 2 1 369.578 4.136 20 0 FIADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586197 1109587246 /nfs/dbraw/zinc/58/72/46/1109587246.db2.gz MSMRKFPBCWOCBI-KAOXLYBCSA-N 2 1 368.496 4.298 20 0 FIADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586197 1109587250 /nfs/dbraw/zinc/58/72/50/1109587250.db2.gz MSMRKFPBCWOCBI-KAOXLYBCSA-N 2 1 368.496 4.298 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544420488 1109750195 /nfs/dbraw/zinc/75/01/95/1109750195.db2.gz HACKYCJMUAAHLB-AABGKKOBSA-N 2 1 371.569 4.181 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544420488 1109750198 /nfs/dbraw/zinc/75/01/98/1109750198.db2.gz HACKYCJMUAAHLB-AABGKKOBSA-N 2 1 371.569 4.181 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4cc[nH]c4c3)CC2)cs1 ZINC000527658704 1109804610 /nfs/dbraw/zinc/80/46/10/1109804610.db2.gz ZYYOCRUELUSBKN-UHFFFAOYSA-N 2 1 368.550 4.189 20 0 FIADMP Fc1cc2c(cc1Cl)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000527845984 1109846164 /nfs/dbraw/zinc/84/61/64/1109846164.db2.gz LBRIUUUSBRTVCN-OAQYLSRUSA-N 2 1 374.887 4.088 20 0 FIADMP Cc1cccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)c1 ZINC000527889063 1109850885 /nfs/dbraw/zinc/85/08/85/1109850885.db2.gz XYYBNONKNGXQDI-XZOQPEGZSA-N 2 1 352.522 4.049 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C2CC2)cn1 ZINC000528044825 1109897581 /nfs/dbraw/zinc/89/75/81/1109897581.db2.gz VMXIYVCPQDWDHW-BSLALVQMSA-N 2 1 357.542 4.174 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449073418 1109972962 /nfs/dbraw/zinc/97/29/62/1109972962.db2.gz MVNJAZJXVKLIQK-UHFFFAOYSA-N 2 1 365.493 4.298 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3c(OC)c2)[C@H](C)C1 ZINC000449137135 1109980401 /nfs/dbraw/zinc/98/04/01/1109980401.db2.gz DQZYBVBTHXBGSA-XMSQKQJNSA-N 2 1 370.537 4.075 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000449153943 1109986649 /nfs/dbraw/zinc/98/66/49/1109986649.db2.gz GNMOJBLVZCLFOX-BPAWZDJUSA-N 2 1 370.459 4.244 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000449153943 1109986651 /nfs/dbraw/zinc/98/66/51/1109986651.db2.gz GNMOJBLVZCLFOX-BPAWZDJUSA-N 2 1 370.459 4.244 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449214468 1109997082 /nfs/dbraw/zinc/99/70/82/1109997082.db2.gz WTOVJMALVMAZEM-GGAORHGYSA-N 2 1 371.613 4.040 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449214468 1109997084 /nfs/dbraw/zinc/99/70/84/1109997084.db2.gz WTOVJMALVMAZEM-GGAORHGYSA-N 3 1 371.613 4.040 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449214468 1109997088 /nfs/dbraw/zinc/99/70/88/1109997088.db2.gz WTOVJMALVMAZEM-GGAORHGYSA-N 3 1 371.613 4.040 20 0 FIADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccccc1 ZINC000449302310 1110021092 /nfs/dbraw/zinc/02/10/92/1110021092.db2.gz USGIEZVYNHXTFP-FQEVSTJZSA-N 2 1 373.585 4.133 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449326288 1110026901 /nfs/dbraw/zinc/02/69/01/1110026901.db2.gz ULFOVCIPTJELRZ-UHFFFAOYSA-N 2 1 362.449 4.115 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449326288 1110026906 /nfs/dbraw/zinc/02/69/06/1110026906.db2.gz ULFOVCIPTJELRZ-UHFFFAOYSA-N 2 1 362.449 4.115 20 0 FIADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(C(F)(F)F)c3)CC2)C1 ZINC000449438109 1110079801 /nfs/dbraw/zinc/07/98/01/1110079801.db2.gz OTENBFCVQUJLRL-YOEHRIQHSA-N 2 1 355.448 4.233 20 0 FIADMP Cc1ccc(-n2cc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C(C)(C)C)n2)cc1 ZINC000449556400 1110109719 /nfs/dbraw/zinc/10/97/19/1110109719.db2.gz MFFJQCXGFPHEST-VCSGRIEYSA-N 2 1 366.553 4.193 20 0 FIADMP Cc1ccc(-n2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C(C)(C)C)n2)cc1 ZINC000449556400 1110109721 /nfs/dbraw/zinc/10/97/21/1110109721.db2.gz MFFJQCXGFPHEST-VCSGRIEYSA-N 2 1 366.553 4.193 20 0 FIADMP Cc1ccc(-n2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C(C)(C)C)n2)cc1 ZINC000449556400 1110109724 /nfs/dbraw/zinc/10/97/24/1110109724.db2.gz MFFJQCXGFPHEST-VCSGRIEYSA-N 2 1 366.553 4.193 20 0 FIADMP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389902562 1110286254 /nfs/dbraw/zinc/28/62/54/1110286254.db2.gz DFINXLLBWJBXHK-FQEVSTJZSA-N 2 1 352.522 4.236 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000389946971 1110296404 /nfs/dbraw/zinc/29/64/04/1110296404.db2.gz QVKDUYPUJBYWFD-OAQYLSRUSA-N 2 1 366.549 4.279 20 0 FIADMP COC(=O)c1occc1CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000538330069 1111095397 /nfs/dbraw/zinc/09/53/97/1111095397.db2.gz XACVATIIYXPOFS-UHFFFAOYSA-N 2 1 370.493 4.121 20 0 FIADMP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000538407273 1111118493 /nfs/dbraw/zinc/11/84/93/1111118493.db2.gz RXIUVMBSKVPOFR-HTAPYJJXSA-N 2 1 356.485 4.156 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000539055825 1111402992 /nfs/dbraw/zinc/40/29/92/1111402992.db2.gz LJZRQNPFYUJXTN-PDIWNELESA-N 2 1 360.505 4.277 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000539073708 1111420026 /nfs/dbraw/zinc/42/00/26/1111420026.db2.gz XISVMAAZUJIQSI-KRWDZBQOSA-N 2 1 365.521 4.262 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)[C@H](C)C1 ZINC000539075837 1111420638 /nfs/dbraw/zinc/42/06/38/1111420638.db2.gz MPEIJHVRAPDZOP-XXBNENTESA-N 2 1 354.538 4.109 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000539124225 1111443346 /nfs/dbraw/zinc/44/33/46/1111443346.db2.gz LWINTTAVNHKGAJ-KLZNWCGWSA-N 2 1 358.448 4.181 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000539124224 1111443554 /nfs/dbraw/zinc/44/35/54/1111443554.db2.gz LWINTTAVNHKGAJ-KCYZZUKISA-N 2 1 358.448 4.181 20 0 FIADMP CC(C)[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000539159456 1111454414 /nfs/dbraw/zinc/45/44/14/1111454414.db2.gz RVAGBTAFSSDQQO-GQIGUUNPSA-N 2 1 359.514 4.188 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000462032791 1111467470 /nfs/dbraw/zinc/46/74/70/1111467470.db2.gz SLGCPKXKNYZTSE-QFIPXVFZSA-N 2 1 356.485 4.192 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3ccc4ccccc4n3)CC2)cc1 ZINC000462031494 1111474079 /nfs/dbraw/zinc/47/40/79/1111474079.db2.gz KWINESFOPRJCAX-UHFFFAOYSA-N 2 1 359.517 4.074 20 0 FIADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000462114591 1111502683 /nfs/dbraw/zinc/50/26/83/1111502683.db2.gz XWXSVZLBWQKBNB-QHCPKHFHSA-N 2 1 352.522 4.280 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCCC2)o1 ZINC000539369150 1111532412 /nfs/dbraw/zinc/53/24/12/1111532412.db2.gz COAKRZVPHZRXMQ-HSZRJFAPSA-N 2 1 368.521 4.441 20 0 FIADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000552047409 1111557568 /nfs/dbraw/zinc/55/75/68/1111557568.db2.gz LSHLZZNXLVEDNJ-REWPJTCUSA-N 2 1 367.537 4.084 20 0 FIADMP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000552087534 1111569703 /nfs/dbraw/zinc/56/97/03/1111569703.db2.gz KNJGIVWMHCWKAF-YFNKSVMNSA-N 2 1 363.549 4.213 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)[C@@H](C)C1 ZINC000552089864 1111570694 /nfs/dbraw/zinc/57/06/94/1111570694.db2.gz XPEAXGPLEBLKSU-UONOGXRCSA-N 2 1 371.388 4.252 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)[C@H](C)C1 ZINC000552089865 1111570849 /nfs/dbraw/zinc/57/08/49/1111570849.db2.gz XPEAXGPLEBLKSU-ZIAGYGMSSA-N 2 1 371.388 4.252 20 0 FIADMP Cc1ccccc1[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552249729 1111628705 /nfs/dbraw/zinc/62/87/05/1111628705.db2.gz IPQPXEWDYHXIDO-BBHUYCHWSA-N 2 1 352.522 4.061 20 0 FIADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000552272939 1111654229 /nfs/dbraw/zinc/65/42/29/1111654229.db2.gz JONPKRYGRUXIGE-UHFFFAOYSA-N 2 1 350.506 4.183 20 0 FIADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccc3ccccc3n1)c1ccccc1O2 ZINC000552413347 1111699884 /nfs/dbraw/zinc/69/98/84/1111699884.db2.gz YCCIJXIUFQRFOH-JOCHJYFZSA-N 2 1 373.500 4.313 20 0 FIADMP CCOc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1O ZINC000552906636 1111850549 /nfs/dbraw/zinc/85/05/49/1111850549.db2.gz OYEDAZVCNGCEIJ-OAHLLOKOSA-N 2 1 351.450 4.136 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1C(F)(F)F ZINC000479264034 1111978928 /nfs/dbraw/zinc/97/89/28/1111978928.db2.gz SLDKXCBBIYLJQH-SNVBAGLBSA-N 2 1 353.226 4.070 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290017 1111986332 /nfs/dbraw/zinc/98/63/32/1111986332.db2.gz XFGXJRFNDLCHCK-RDJZCZTQSA-N 2 1 353.348 4.090 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000479335863 1111998989 /nfs/dbraw/zinc/99/89/89/1111998989.db2.gz MWSWXZBFGCJHSM-VKJFTORMSA-N 2 1 363.343 4.388 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000479336958 1111999065 /nfs/dbraw/zinc/99/90/65/1111999065.db2.gz PPKSONPUOWHSSP-HDMKZQKVSA-N 2 1 367.306 4.256 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000479336958 1111999067 /nfs/dbraw/zinc/99/90/67/1111999067.db2.gz PPKSONPUOWHSSP-HDMKZQKVSA-N 2 1 367.306 4.256 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384676 1112005629 /nfs/dbraw/zinc/00/56/29/1112005629.db2.gz BWLMAXKJCAYHOX-UGKGYDQZSA-N 2 1 366.553 4.207 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384676 1112005632 /nfs/dbraw/zinc/00/56/32/1112005632.db2.gz BWLMAXKJCAYHOX-UGKGYDQZSA-N 2 1 366.553 4.207 20 0 FIADMP COC1CCC(C)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000479450341 1112027628 /nfs/dbraw/zinc/02/76/28/1112027628.db2.gz FKIWAIXBOXIQBG-BXMRMEMUSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000479543086 1112063972 /nfs/dbraw/zinc/06/39/72/1112063972.db2.gz NMLIWQDLWSNCRH-OOHWJJMZSA-N 2 1 356.432 4.295 20 0 FIADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000479548881 1112065028 /nfs/dbraw/zinc/06/50/28/1112065028.db2.gz FLOUHDBVEMGMPH-JTTJXQCZSA-N 2 1 354.416 4.179 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(F)cn1 ZINC000554070924 1112181844 /nfs/dbraw/zinc/18/18/44/1112181844.db2.gz BJUXZLYSBAMPNF-IRXDYDNUSA-N 2 1 371.500 4.455 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(F)cn1 ZINC000554070924 1112181847 /nfs/dbraw/zinc/18/18/47/1112181847.db2.gz BJUXZLYSBAMPNF-IRXDYDNUSA-N 2 1 371.500 4.455 20 0 FIADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000479902318 1112182527 /nfs/dbraw/zinc/18/25/27/1112182527.db2.gz LCNXWEJKEXBQNO-FQEVSTJZSA-N 2 1 352.522 4.295 20 0 FIADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000479892722 1112188077 /nfs/dbraw/zinc/18/80/77/1112188077.db2.gz UYVHFYJTLVMOEU-FQEVSTJZSA-N 2 1 352.522 4.295 20 0 FIADMP CC(C)Oc1ccc([C@@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000554086031 1112197434 /nfs/dbraw/zinc/19/74/34/1112197434.db2.gz SIXDPXUHIUPNGJ-HSZRJFAPSA-N 2 1 373.585 4.073 20 0 FIADMP Cc1c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000480024830 1112243821 /nfs/dbraw/zinc/24/38/21/1112243821.db2.gz WQOUGTHBKCALQS-AWEZNQCLSA-N 2 1 358.505 4.280 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000480249164 1112350186 /nfs/dbraw/zinc/35/01/86/1112350186.db2.gz DFTLZIXKRUDHFM-SFHVURJKSA-N 2 1 357.542 4.119 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000480249164 1112350192 /nfs/dbraw/zinc/35/01/92/1112350192.db2.gz DFTLZIXKRUDHFM-SFHVURJKSA-N 2 1 357.542 4.119 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480391346 1112410868 /nfs/dbraw/zinc/41/08/68/1112410868.db2.gz XQYHALDSWUFJKL-NXEZZACHSA-N 2 1 351.741 4.126 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554840977 1112518026 /nfs/dbraw/zinc/51/80/26/1112518026.db2.gz KXLLJDDTJVOIFN-FQEVSTJZSA-N 2 1 374.569 4.389 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554840977 1112518031 /nfs/dbraw/zinc/51/80/31/1112518031.db2.gz KXLLJDDTJVOIFN-FQEVSTJZSA-N 2 1 374.569 4.389 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480636188 1112524409 /nfs/dbraw/zinc/52/44/09/1112524409.db2.gz CZKZLUPZGJAURZ-KSZLIROESA-N 2 1 371.569 4.325 20 0 FIADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000554888714 1112546670 /nfs/dbraw/zinc/54/66/70/1112546670.db2.gz JRJZESAGBUJWRD-OAQYLSRUSA-N 2 1 350.466 4.167 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)CC[N@@H+]1C ZINC000480711085 1112564859 /nfs/dbraw/zinc/56/48/59/1112564859.db2.gz PKRFRLMBJPQQHO-CCKFTAQKSA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)CC[N@H+]1C ZINC000480711085 1112564865 /nfs/dbraw/zinc/56/48/65/1112564865.db2.gz PKRFRLMBJPQQHO-CCKFTAQKSA-N 2 1 365.359 4.233 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000481303904 1112879071 /nfs/dbraw/zinc/87/90/71/1112879071.db2.gz GJVFTENPXMEZBV-QFIPXVFZSA-N 2 1 350.506 4.463 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308042 1112881690 /nfs/dbraw/zinc/88/16/90/1112881690.db2.gz AFOPMMRLTRKIRB-XMSQKQJNSA-N 2 1 356.485 4.050 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000481328599 1112902016 /nfs/dbraw/zinc/90/20/16/1112902016.db2.gz TXZHLMSERYZJTF-SJORKVTESA-N 2 1 357.567 4.425 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)cc1F ZINC000481542403 1112973775 /nfs/dbraw/zinc/97/37/75/1112973775.db2.gz JKQLTHPXDAJMMK-LRTDBIEQSA-N 2 1 353.416 4.482 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)CCO1 ZINC000481554459 1112976315 /nfs/dbraw/zinc/97/63/15/1112976315.db2.gz YGKJLXJNLMKTER-UZLBHIALSA-N 2 1 356.535 4.136 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)CCO1 ZINC000481554459 1112976317 /nfs/dbraw/zinc/97/63/17/1112976317.db2.gz YGKJLXJNLMKTER-UZLBHIALSA-N 2 1 356.535 4.136 20 0 FIADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481586607 1112986718 /nfs/dbraw/zinc/98/67/18/1112986718.db2.gz YJYBRJYGXZXNPJ-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000481586607 1112986720 /nfs/dbraw/zinc/98/67/20/1112986720.db2.gz YJYBRJYGXZXNPJ-PMACEKPBSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000065931957 1112987365 /nfs/dbraw/zinc/98/73/65/1112987365.db2.gz FSGAPDSSKCCEET-CALCHBBNSA-N 2 1 372.475 4.475 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)CCC2 ZINC000481583004 1112989461 /nfs/dbraw/zinc/98/94/61/1112989461.db2.gz PWHOYFMXJPDXRP-NRFANRHFSA-N 2 1 365.452 4.496 20 0 FIADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(OC(F)(F)F)ccc43)CC[C@@H]21 ZINC000899878676 1113042148 /nfs/dbraw/zinc/04/21/48/1113042148.db2.gz VULSJPLFMPSWHW-DYVFJYSZSA-N 2 1 365.399 4.054 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000482137086 1113179683 /nfs/dbraw/zinc/17/96/83/1113179683.db2.gz HXODIPYCKXTVFB-MRXNPFEDSA-N 2 1 356.470 4.121 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2cccc3ccccc32)[C@H](C)C1 ZINC000482137661 1113179780 /nfs/dbraw/zinc/17/97/80/1113179780.db2.gz MZJZHNIEVFQSDI-YKSBVNFPSA-N 2 1 368.565 4.499 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000482166488 1113189941 /nfs/dbraw/zinc/18/99/41/1113189941.db2.gz VANNZERAVFSOLK-SLFFLAALSA-N 2 1 359.558 4.121 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000482246190 1113205889 /nfs/dbraw/zinc/20/58/89/1113205889.db2.gz SPVUHKZRZUWDMS-UHFFFAOYSA-N 2 1 364.533 4.117 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000482251076 1113210749 /nfs/dbraw/zinc/21/07/49/1113210749.db2.gz BAEWSNVHVMWSEV-NTKDMRAZSA-N 2 1 374.532 4.028 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333082 1113228041 /nfs/dbraw/zinc/22/80/41/1113228041.db2.gz ZCYABYSJPOXUOV-HOTGVXAUSA-N 2 1 358.448 4.399 20 0 FIADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482433521 1113252852 /nfs/dbraw/zinc/25/28/52/1113252852.db2.gz CQVITDHMPOKKQA-TZIWHRDSSA-N 2 1 352.522 4.301 20 0 FIADMP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482433521 1113252854 /nfs/dbraw/zinc/25/28/54/1113252854.db2.gz CQVITDHMPOKKQA-TZIWHRDSSA-N 2 1 352.522 4.301 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482445258 1113259034 /nfs/dbraw/zinc/25/90/34/1113259034.db2.gz ISDJNYYEPXTVJU-GMAHTHKFSA-N 2 1 364.533 4.363 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000668063605 1113282545 /nfs/dbraw/zinc/28/25/45/1113282545.db2.gz PQBJIOINIUAXAN-HNNXBMFYSA-N 2 1 351.288 4.111 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000668063605 1113282550 /nfs/dbraw/zinc/28/25/50/1113282550.db2.gz PQBJIOINIUAXAN-HNNXBMFYSA-N 2 1 351.288 4.111 20 0 FIADMP COc1ccc([C@@H](CCC(C)C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000482558156 1113295285 /nfs/dbraw/zinc/29/52/85/1113295285.db2.gz NCYCQILMLXETFR-JOCHJYFZSA-N 2 1 374.569 4.407 20 0 FIADMP COc1ccc([C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)c2ccccc12 ZINC000482555396 1113298370 /nfs/dbraw/zinc/29/83/70/1113298370.db2.gz LSUMKHDUCDHDNH-SFHVURJKSA-N 2 1 368.521 4.144 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](Cc3cccc(C)c3)C3CC3)CCCC2)CC1 ZINC000482631904 1113315095 /nfs/dbraw/zinc/31/50/95/1113315095.db2.gz POPMTYGXIAXQGS-HSZRJFAPSA-N 2 1 370.581 4.329 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000482652750 1113323361 /nfs/dbraw/zinc/32/33/61/1113323361.db2.gz ULDRTRJZDOPMLC-UWJYYQICSA-N 2 1 356.485 4.225 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000482876200 1113385964 /nfs/dbraw/zinc/38/59/64/1113385964.db2.gz UHZMHUDZEICRLT-YJBOKZPZSA-N 2 1 359.341 4.271 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000483140248 1113451776 /nfs/dbraw/zinc/45/17/76/1113451776.db2.gz PSAYFFUNYDGQKV-BQFCYCMXSA-N 2 1 350.572 4.024 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483173086 1113457103 /nfs/dbraw/zinc/45/71/03/1113457103.db2.gz GJDVFRACSCNTNN-JQHSSLGASA-N 2 1 358.448 4.103 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483173086 1113457107 /nfs/dbraw/zinc/45/71/07/1113457107.db2.gz GJDVFRACSCNTNN-JQHSSLGASA-N 2 1 358.448 4.103 20 0 FIADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1cccc(Br)c1 ZINC000483220413 1113467991 /nfs/dbraw/zinc/46/79/91/1113467991.db2.gz WUEXXPPPWAGLJF-MPGHIAIKSA-N 2 1 353.348 4.090 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000486080700 1113500694 /nfs/dbraw/zinc/50/06/94/1113500694.db2.gz LEVPPLUHSVUNRA-UHOSZYNNSA-N 2 1 372.475 4.059 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000486236168 1113532549 /nfs/dbraw/zinc/53/25/49/1113532549.db2.gz LKRHLFGGSRUSTA-HCUBDLJJSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000486236168 1113532551 /nfs/dbraw/zinc/53/25/51/1113532551.db2.gz LKRHLFGGSRUSTA-HCUBDLJJSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713660 1113680940 /nfs/dbraw/zinc/68/09/40/1113680940.db2.gz XAIXGMZKMHSPEF-DENIHFKCSA-N 2 1 364.533 4.215 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279747 1114015138 /nfs/dbraw/zinc/01/51/38/1114015138.db2.gz XPSJLPYMENQRRT-LEWJYISDSA-N 2 1 362.517 4.340 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279747 1114015141 /nfs/dbraw/zinc/01/51/41/1114015141.db2.gz XPSJLPYMENQRRT-LEWJYISDSA-N 2 1 362.517 4.340 20 0 FIADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988137 1114359803 /nfs/dbraw/zinc/35/98/03/1114359803.db2.gz OOAFNTGYNCUZIE-KNKQGSTJSA-N 2 1 357.586 4.003 20 0 FIADMP Cc1ccc(C(F)(F)F)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145366 1114429520 /nfs/dbraw/zinc/42/95/20/1114429520.db2.gz QUJGWNHCZBPSFP-HNNXBMFYSA-N 2 1 370.419 4.232 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571165910 1114441481 /nfs/dbraw/zinc/44/14/81/1114441481.db2.gz UUNMYSHHMZFOCF-RTBURBONSA-N 2 1 371.569 4.193 20 0 FIADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572855921 1114807387 /nfs/dbraw/zinc/80/73/87/1114807387.db2.gz RURPNGZNADVVHS-QGZVFWFLSA-N 2 1 352.526 4.400 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641079 1114818838 /nfs/dbraw/zinc/81/88/38/1114818838.db2.gz DDKYPRGHMHOYLT-GOSISDBHSA-N 2 1 362.521 4.095 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641079 1114818840 /nfs/dbraw/zinc/81/88/40/1114818840.db2.gz DDKYPRGHMHOYLT-GOSISDBHSA-N 2 1 362.521 4.095 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641081 1114819431 /nfs/dbraw/zinc/81/94/31/1114819431.db2.gz DDKYPRGHMHOYLT-SFHVURJKSA-N 2 1 362.521 4.095 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589641081 1114819434 /nfs/dbraw/zinc/81/94/34/1114819434.db2.gz DDKYPRGHMHOYLT-SFHVURJKSA-N 2 1 362.521 4.095 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000590786426 1114974230 /nfs/dbraw/zinc/97/42/30/1114974230.db2.gz WSMWTXBVZWGDMZ-UHFFFAOYSA-N 2 1 358.448 4.180 20 0 FIADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)cc1F ZINC000590786658 1114974261 /nfs/dbraw/zinc/97/42/61/1114974261.db2.gz LHJOAUTYEUPBGD-MRXNPFEDSA-N 2 1 374.504 4.297 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000590786860 1114974386 /nfs/dbraw/zinc/97/43/86/1114974386.db2.gz BHRUMZOTJQYXKL-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786822 1114974534 /nfs/dbraw/zinc/97/45/34/1114974534.db2.gz NZXAPCYYLLWVOK-DENIHFKCSA-N 2 1 373.585 4.085 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000590786207 1114974569 /nfs/dbraw/zinc/97/45/69/1114974569.db2.gz IJJZEUUOEJEBHQ-UHFFFAOYSA-N 2 1 358.448 4.180 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592366016 1115219073 /nfs/dbraw/zinc/21/90/73/1115219073.db2.gz MYJPYWFAZUMABY-HXUWFJFHSA-N 2 1 372.553 4.285 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592366016 1115219076 /nfs/dbraw/zinc/21/90/76/1115219076.db2.gz MYJPYWFAZUMABY-HXUWFJFHSA-N 2 1 372.553 4.285 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498412255 1115231700 /nfs/dbraw/zinc/23/17/00/1115231700.db2.gz HDPRQIMRKUYTOW-KSFYIVLOSA-N 2 1 360.461 4.348 20 0 FIADMP Oc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000574321087 1115346479 /nfs/dbraw/zinc/34/64/79/1115346479.db2.gz BMMNZUVQFBRPFO-UHFFFAOYSA-N 2 1 356.432 4.155 20 0 FIADMP Cc1sc(C2([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CCC2)nc1-c1ccccc1F ZINC000574531238 1115413305 /nfs/dbraw/zinc/41/33/05/1115413305.db2.gz OCRYYLYHZNKNMP-CABCVRRESA-N 2 1 359.514 4.496 20 0 FIADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000574624084 1115429894 /nfs/dbraw/zinc/42/98/94/1115429894.db2.gz HOQPEPGMJRQEHT-FYYLOGMGSA-N 2 1 355.570 4.209 20 0 FIADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000574999381 1115529095 /nfs/dbraw/zinc/52/90/95/1115529095.db2.gz BYRZMAVVWXCKHT-NRFANRHFSA-N 2 1 355.432 4.205 20 0 FIADMP COc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c1F ZINC000669681481 1115774729 /nfs/dbraw/zinc/77/47/29/1115774729.db2.gz NIDLSBXHTOKWPE-UHFFFAOYSA-N 2 1 356.485 4.356 20 0 FIADMP Fc1ccc(C[NH+]2CCC(Nc3cc[nH+]c4ccccc34)CC2)cc1F ZINC000599532224 1115823959 /nfs/dbraw/zinc/82/39/59/1115823959.db2.gz QVMMNSQIDSNAGH-UHFFFAOYSA-N 2 1 353.416 4.011 20 0 FIADMP FC(F)(F)c1cccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000606447763 1115944963 /nfs/dbraw/zinc/94/49/63/1115944963.db2.gz IJOXBKDYXUZOOT-SFHVURJKSA-N 2 1 370.459 4.425 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)c2O1 ZINC000606469869 1115948095 /nfs/dbraw/zinc/94/80/95/1115948095.db2.gz ZILLVWCQEQTNDZ-HXUWFJFHSA-N 2 1 364.533 4.054 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)c2O1 ZINC000606469869 1115948097 /nfs/dbraw/zinc/94/80/97/1115948097.db2.gz ZILLVWCQEQTNDZ-HXUWFJFHSA-N 2 1 364.533 4.054 20 0 FIADMP Brc1ccc(/C=C/CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903167 1115981709 /nfs/dbraw/zinc/98/17/09/1115981709.db2.gz KXPMIGVTJNPVSV-MWRWZGEBSA-N 2 1 363.343 4.270 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000607384297 1116021424 /nfs/dbraw/zinc/02/14/24/1116021424.db2.gz RVCXKNGNBSHZFO-GOSISDBHSA-N 2 1 365.521 4.232 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000608061239 1116079671 /nfs/dbraw/zinc/07/96/71/1116079671.db2.gz IEUXEKXMUUMRBI-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534060194 1116153834 /nfs/dbraw/zinc/15/38/34/1116153834.db2.gz QFZFPVITGBEDQY-MRXNPFEDSA-N 2 1 357.723 4.164 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000534529352 1116210960 /nfs/dbraw/zinc/21/09/60/1116210960.db2.gz FZZHRULXPMBOKA-FDDCHVKYSA-N 2 1 362.521 4.004 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000534529353 1116211007 /nfs/dbraw/zinc/21/10/07/1116211007.db2.gz FZZHRULXPMBOKA-JPYJTQIMSA-N 2 1 362.521 4.004 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546869555 1116236316 /nfs/dbraw/zinc/23/63/16/1116236316.db2.gz AHZHMZLALAQKOU-NRFANRHFSA-N 2 1 357.929 4.483 20 0 FIADMP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000534794986 1116237602 /nfs/dbraw/zinc/23/76/02/1116237602.db2.gz SRSPEYCNHFYERY-DIFFPNOSSA-N 2 1 369.734 4.164 20 0 FIADMP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000534794985 1116237672 /nfs/dbraw/zinc/23/76/72/1116237672.db2.gz SRSPEYCNHFYERY-APPDUMDISA-N 2 1 369.734 4.164 20 0 FIADMP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000534973579 1116257047 /nfs/dbraw/zinc/25/70/47/1116257047.db2.gz VYAKTZCZMZOIEE-JOCHJYFZSA-N 2 1 370.924 4.339 20 0 FIADMP CCOc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc(Cl)c1OC ZINC000535083072 1116265828 /nfs/dbraw/zinc/26/58/28/1116265828.db2.gz YSBSWCNIMQYTCI-UHFFFAOYSA-N 2 1 368.949 4.300 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849413 1116390579 /nfs/dbraw/zinc/39/05/79/1116390579.db2.gz DBAULIWXIDUBJB-IBGZPJMESA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849413 1116390581 /nfs/dbraw/zinc/39/05/81/1116390581.db2.gz DBAULIWXIDUBJB-IBGZPJMESA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849413 1116390583 /nfs/dbraw/zinc/39/05/83/1116390583.db2.gz DBAULIWXIDUBJB-IBGZPJMESA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000539849413 1116390585 /nfs/dbraw/zinc/39/05/85/1116390585.db2.gz DBAULIWXIDUBJB-IBGZPJMESA-N 2 1 356.485 4.178 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000539862685 1116392147 /nfs/dbraw/zinc/39/21/47/1116392147.db2.gz NDLQONJICTYGFN-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP COc1ccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000539895361 1117739253 /nfs/dbraw/zinc/73/92/53/1117739253.db2.gz CSQNUOJRLZVMPQ-NZQKXSOJSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000539895361 1117739255 /nfs/dbraw/zinc/73/92/55/1117739255.db2.gz CSQNUOJRLZVMPQ-NZQKXSOJSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000539895361 1117739258 /nfs/dbraw/zinc/73/92/58/1117739258.db2.gz CSQNUOJRLZVMPQ-NZQKXSOJSA-N 2 1 350.506 4.297 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)s1 ZINC000539899547 1117741080 /nfs/dbraw/zinc/74/10/80/1117741080.db2.gz FSVZNYHYQNVTKE-MISYRCLQSA-N 2 1 356.535 4.099 20 0 FIADMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000462796040 1117778033 /nfs/dbraw/zinc/77/80/33/1117778033.db2.gz ZHZNLKZHNRKXKK-FQEVSTJZSA-N 2 1 358.526 4.092 20 0 FIADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000462796040 1117778040 /nfs/dbraw/zinc/77/80/40/1117778040.db2.gz ZHZNLKZHNRKXKK-FQEVSTJZSA-N 2 1 358.526 4.092 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000462810203 1117780105 /nfs/dbraw/zinc/78/01/05/1117780105.db2.gz ZNMIXYFXVAPOTJ-VOQZNFBZSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000462810203 1117780107 /nfs/dbraw/zinc/78/01/07/1117780107.db2.gz ZNMIXYFXVAPOTJ-VOQZNFBZSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000462804598 1117787254 /nfs/dbraw/zinc/78/72/54/1117787254.db2.gz DTQWPDGFNANMAF-OALUTQOASA-N 2 1 371.569 4.051 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1)CC1CC1 ZINC000540048507 1117829608 /nfs/dbraw/zinc/82/96/08/1117829608.db2.gz XXLNFONMDLRAQB-UHFFFAOYSA-N 2 1 357.498 4.269 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1)CC1CC1 ZINC000540048507 1117829615 /nfs/dbraw/zinc/82/96/15/1117829615.db2.gz XXLNFONMDLRAQB-UHFFFAOYSA-N 2 1 357.498 4.269 20 0 FIADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896313 1117843937 /nfs/dbraw/zinc/84/39/37/1117843937.db2.gz NFOFTYTZCXRCME-OXJNMPFZSA-N 2 1 356.535 4.333 20 0 FIADMP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896313 1117843944 /nfs/dbraw/zinc/84/39/44/1117843944.db2.gz NFOFTYTZCXRCME-OXJNMPFZSA-N 2 1 356.535 4.333 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000540176636 1117916548 /nfs/dbraw/zinc/91/65/48/1117916548.db2.gz UJBNWNPVRJSSTO-UTKZUKDTSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463077947 1117959975 /nfs/dbraw/zinc/95/99/75/1117959975.db2.gz UFMAUASPPVDZAA-QGZVFWFLSA-N 2 1 358.476 4.193 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259519 1117961741 /nfs/dbraw/zinc/96/17/41/1117961741.db2.gz WIRZALDCGGUYHY-HOTGVXAUSA-N 2 1 362.949 4.389 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259520 1117962031 /nfs/dbraw/zinc/96/20/31/1117962031.db2.gz WIRZALDCGGUYHY-HZPDHXFCSA-N 2 1 362.949 4.389 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463106572 1117967380 /nfs/dbraw/zinc/96/73/80/1117967380.db2.gz AOTININTOOQWIE-ICSRJNTNSA-N 2 1 357.567 4.417 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463106572 1117967383 /nfs/dbraw/zinc/96/73/83/1117967383.db2.gz AOTININTOOQWIE-ICSRJNTNSA-N 2 1 357.567 4.417 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000463108854 1117968595 /nfs/dbraw/zinc/96/85/95/1117968595.db2.gz UZVIPCYTXGWVQI-NRFANRHFSA-N 2 1 368.569 4.179 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000463108854 1117968598 /nfs/dbraw/zinc/96/85/98/1117968598.db2.gz UZVIPCYTXGWVQI-NRFANRHFSA-N 2 1 368.569 4.179 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000463108854 1117968601 /nfs/dbraw/zinc/96/86/01/1117968601.db2.gz UZVIPCYTXGWVQI-NRFANRHFSA-N 2 1 368.569 4.179 20 0 FIADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000463141899 1117980246 /nfs/dbraw/zinc/98/02/46/1117980246.db2.gz OQYQWQPNDTWVSI-UHFFFAOYSA-N 2 1 352.497 4.154 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000463144478 1117981625 /nfs/dbraw/zinc/98/16/25/1117981625.db2.gz KFSSIIRXFJCFMY-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000463144478 1117981629 /nfs/dbraw/zinc/98/16/29/1117981629.db2.gz KFSSIIRXFJCFMY-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccc(F)c(C)c3)C3CC3)CC2)nc(C)[nH+]1 ZINC000540317553 1117981785 /nfs/dbraw/zinc/98/17/85/1117981785.db2.gz VTVHOCMBTMGQSY-JOCHJYFZSA-N 2 1 368.500 4.251 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140393 1117987262 /nfs/dbraw/zinc/98/72/62/1117987262.db2.gz GYDWOYMLYLLRTL-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140393 1117987266 /nfs/dbraw/zinc/98/72/66/1117987266.db2.gz GYDWOYMLYLLRTL-HYBUGGRVSA-N 2 1 374.532 4.074 20 0 FIADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCCC2 ZINC000463191168 1118007912 /nfs/dbraw/zinc/00/79/12/1118007912.db2.gz MEZSSKNILIWJPZ-YADHBBJMSA-N 2 1 356.554 4.021 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000463205760 1118020028 /nfs/dbraw/zinc/02/00/28/1118020028.db2.gz NQRUDZGAULHGIB-FQEVSTJZSA-N 2 1 374.532 4.230 20 0 FIADMP CCS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463207987 1118021646 /nfs/dbraw/zinc/02/16/46/1118021646.db2.gz VAQSRFDPHDPOJB-SFTDATJTSA-N 2 1 364.574 4.487 20 0 FIADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000540419303 1118045357 /nfs/dbraw/zinc/04/53/57/1118045357.db2.gz WFINIWQLHAMGEQ-XNJGSVPQSA-N 2 1 369.372 4.163 20 0 FIADMP Fc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463246879 1118052072 /nfs/dbraw/zinc/05/20/72/1118052072.db2.gz XTBPAMBEXJUGPN-JKIUYZKVSA-N 2 1 352.497 4.368 20 0 FIADMP CC(C)N(C)c1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463278090 1118066793 /nfs/dbraw/zinc/06/67/93/1118066793.db2.gz VFDDRHYHTKFHDZ-UHFFFAOYSA-N 2 1 365.565 4.328 20 0 FIADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463290376 1118085046 /nfs/dbraw/zinc/08/50/46/1118085046.db2.gz STJKBJDQFDSFHB-FCHUYYIVSA-N 2 1 362.533 4.016 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C2CCCC2)o1 ZINC000540493144 1118090764 /nfs/dbraw/zinc/09/07/64/1118090764.db2.gz WHMQDTWVSSJBNL-JAXLGGSGSA-N 2 1 360.542 4.177 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C2CCCC2)o1 ZINC000540493147 1118090963 /nfs/dbraw/zinc/09/09/63/1118090963.db2.gz WHMQDTWVSSJBNL-TUNNFDKTSA-N 2 1 360.542 4.177 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000540494460 1118092375 /nfs/dbraw/zinc/09/23/75/1118092375.db2.gz BFGAAUDVQRMJTO-PXNSSMCTSA-N 2 1 368.525 4.103 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000540608776 1118148755 /nfs/dbraw/zinc/14/87/55/1118148755.db2.gz TVYLEBVESWEDQI-KRWDZBQOSA-N 2 1 357.498 4.178 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000540708153 1118196105 /nfs/dbraw/zinc/19/61/05/1118196105.db2.gz MSJJAKRYPUVTDX-IRLDBZIGSA-N 2 1 356.510 4.205 20 0 FIADMP COc1ccc(Oc2ccc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2)cc1 ZINC000541537892 1118546249 /nfs/dbraw/zinc/54/62/49/1118546249.db2.gz UDQFBVZUDQSBKF-LJQANCHMSA-N 2 1 354.494 4.261 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC000541537892 1118546251 /nfs/dbraw/zinc/54/62/51/1118546251.db2.gz UDQFBVZUDQSBKF-LJQANCHMSA-N 2 1 354.494 4.261 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC000541537892 1118546253 /nfs/dbraw/zinc/54/62/53/1118546253.db2.gz UDQFBVZUDQSBKF-LJQANCHMSA-N 2 1 354.494 4.261 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000541558828 1118554793 /nfs/dbraw/zinc/55/47/93/1118554793.db2.gz UDCFOWWMQISFTI-GHTZIAJQSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000541558828 1118554795 /nfs/dbraw/zinc/55/47/95/1118554795.db2.gz UDCFOWWMQISFTI-GHTZIAJQSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000541558831 1118554831 /nfs/dbraw/zinc/55/48/31/1118554831.db2.gz UDCFOWWMQISFTI-RXVVDRJESA-N 2 1 355.501 4.128 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000541558831 1118554833 /nfs/dbraw/zinc/55/48/33/1118554833.db2.gz UDCFOWWMQISFTI-RXVVDRJESA-N 2 1 355.501 4.128 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000541565515 1118556826 /nfs/dbraw/zinc/55/68/26/1118556826.db2.gz CGCYKISBFVTLHT-QVKFZJNVSA-N 2 1 352.457 4.049 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000541552109 1118559856 /nfs/dbraw/zinc/55/98/56/1118559856.db2.gz MEFBNLIECDVDJG-FQEVSTJZSA-N 2 1 351.494 4.090 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600545 1118574520 /nfs/dbraw/zinc/57/45/20/1118574520.db2.gz LDPYXOJBWWSPAO-YLJYHZDGSA-N 2 1 372.553 4.385 20 0 FIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599916 1118575277 /nfs/dbraw/zinc/57/52/77/1118575277.db2.gz QGTHYHJAJMJZIR-MSOLQXFVSA-N 2 1 371.569 4.165 20 0 FIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599916 1118575279 /nfs/dbraw/zinc/57/52/79/1118575279.db2.gz QGTHYHJAJMJZIR-MSOLQXFVSA-N 2 1 371.569 4.165 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000464774039 1118689344 /nfs/dbraw/zinc/68/93/44/1118689344.db2.gz HOSIDGLPBKTPOK-JOCHJYFZSA-N 2 1 352.522 4.429 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000464774039 1118689346 /nfs/dbraw/zinc/68/93/46/1118689346.db2.gz HOSIDGLPBKTPOK-JOCHJYFZSA-N 2 1 352.522 4.429 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791424 1118699953 /nfs/dbraw/zinc/69/99/53/1118699953.db2.gz TWRVHSBXBYWBJU-XQDHMALISA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791424 1118699957 /nfs/dbraw/zinc/69/99/57/1118699957.db2.gz TWRVHSBXBYWBJU-XQDHMALISA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791424 1118699960 /nfs/dbraw/zinc/69/99/60/1118699960.db2.gz TWRVHSBXBYWBJU-XQDHMALISA-N 2 1 351.332 4.126 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C(C)(C)c1ccccc1 ZINC000541915168 1118706525 /nfs/dbraw/zinc/70/65/25/1118706525.db2.gz BAVGBTAOJLQHMC-XXBNENTESA-N 2 1 366.549 4.099 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000541955279 1118721587 /nfs/dbraw/zinc/72/15/87/1118721587.db2.gz IMRJNPLESLBCAY-SJORKVTESA-N 2 1 362.477 4.167 20 0 FIADMP C[C@@H](CCCCO)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670161065 1118749646 /nfs/dbraw/zinc/74/96/46/1118749646.db2.gz GHFAJUQERLZYAH-AZQUWAFASA-N 2 1 364.961 4.395 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388244922 1118960414 /nfs/dbraw/zinc/96/04/14/1118960414.db2.gz FSLOUNLZMSFGJW-QFIPXVFZSA-N 2 1 352.522 4.476 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852974 1118987186 /nfs/dbraw/zinc/98/71/86/1118987186.db2.gz PBFWUKMFNAOXBG-VNHKHXMHSA-N 2 1 352.522 4.405 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852974 1118987188 /nfs/dbraw/zinc/98/71/88/1118987188.db2.gz PBFWUKMFNAOXBG-VNHKHXMHSA-N 2 1 352.522 4.405 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000173299741 1119030855 /nfs/dbraw/zinc/03/08/55/1119030855.db2.gz PUVZEDCLVFFFHE-KRWDZBQOSA-N 2 1 356.535 4.092 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1OC ZINC000173320226 1119032570 /nfs/dbraw/zinc/03/25/70/1119032570.db2.gz LKMQKKKPHBUOBX-QGZVFWFLSA-N 2 1 356.510 4.395 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000173329366 1119033759 /nfs/dbraw/zinc/03/37/59/1119033759.db2.gz PTBCCKQXXYFCLL-GOSISDBHSA-N 2 1 368.521 4.327 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1 ZINC000173903084 1119078566 /nfs/dbraw/zinc/07/85/66/1119078566.db2.gz KFHIMBYBYCLRKO-KSZLIROESA-N 2 1 356.485 4.286 20 0 FIADMP COCC[C@H]1CCCC[NH+]([C@H](C)CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274285 1119288981 /nfs/dbraw/zinc/28/89/81/1119288981.db2.gz FZFZRSSFVHHXBJ-BHIFYINESA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@H]1CCCC[N@@H+]([C@H](C)CC[NH+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274285 1119288985 /nfs/dbraw/zinc/28/89/85/1119288985.db2.gz FZFZRSSFVHHXBJ-BHIFYINESA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@H]1CCCC[N@H+]([C@H](C)CC[NH+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274285 1119288988 /nfs/dbraw/zinc/28/89/88/1119288988.db2.gz FZFZRSSFVHHXBJ-BHIFYINESA-N 2 1 368.606 4.042 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1Cl ZINC000177251348 1119319709 /nfs/dbraw/zinc/31/97/09/1119319709.db2.gz BHHRFUWQLNYRRQ-IRXDYDNUSA-N 2 1 358.913 4.412 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1Cl ZINC000177251348 1119319714 /nfs/dbraw/zinc/31/97/14/1119319714.db2.gz BHHRFUWQLNYRRQ-IRXDYDNUSA-N 2 1 358.913 4.412 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1)C(C)C ZINC000177409791 1119329092 /nfs/dbraw/zinc/32/90/92/1119329092.db2.gz QRCUWZCKWWQSBC-UHFFFAOYSA-N 2 1 371.569 4.054 20 0 FIADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000177414623 1119329176 /nfs/dbraw/zinc/32/91/76/1119329176.db2.gz DUAGGGRIKGRHHL-HSZRJFAPSA-N 2 1 350.506 4.076 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311590938 1119380321 /nfs/dbraw/zinc/38/03/21/1119380321.db2.gz AKZSJXYWOBYVSF-XQBPLPMBSA-N 2 1 352.522 4.214 20 0 FIADMP CCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000178376341 1119386772 /nfs/dbraw/zinc/38/67/72/1119386772.db2.gz RLOSALYMSYSCRD-IBGZPJMESA-N 2 1 368.521 4.158 20 0 FIADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000311991667 1119397027 /nfs/dbraw/zinc/39/70/27/1119397027.db2.gz ONTYLSHAPOCPJO-INIZCTEOSA-N 2 1 366.402 4.456 20 0 FIADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000542466871 1119458955 /nfs/dbraw/zinc/45/89/55/1119458955.db2.gz LXPXKIPNJKWBHI-QGZVFWFLSA-N 2 1 364.493 4.037 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@@H](C)C1 ZINC000542470613 1119511746 /nfs/dbraw/zinc/51/17/46/1119511746.db2.gz KTWJQSGJJOYIBD-MSYCTHLASA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@@H](C)C1 ZINC000542470617 1119512274 /nfs/dbraw/zinc/51/22/74/1119512274.db2.gz KTWJQSGJJOYIBD-SELNLUPBSA-N 2 1 374.569 4.091 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000494074553 1119537586 /nfs/dbraw/zinc/53/75/86/1119537586.db2.gz GNYYLKNNQKVUFR-TZRRMPRUSA-N 2 1 364.533 4.052 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000542474839 1119552571 /nfs/dbraw/zinc/55/25/71/1119552571.db2.gz OWEWZTYKPBMAPJ-OAQYLSRUSA-N 2 1 352.457 4.193 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000542475637 1119597562 /nfs/dbraw/zinc/59/75/62/1119597562.db2.gz CIVRBELCZMIYEO-CBVHJVASSA-N 2 1 370.459 4.245 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000542475637 1119597564 /nfs/dbraw/zinc/59/75/64/1119597564.db2.gz CIVRBELCZMIYEO-CBVHJVASSA-N 2 1 370.459 4.245 20 0 FIADMP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000186097051 1119705743 /nfs/dbraw/zinc/70/57/43/1119705743.db2.gz PRRODFFBHOMAQS-BBWFWOEESA-N 2 1 374.550 4.217 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191295298 1119969801 /nfs/dbraw/zinc/96/98/01/1119969801.db2.gz FGVRRZGFCAASRT-UGKGYDQZSA-N 2 1 366.553 4.069 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000191295298 1119969802 /nfs/dbraw/zinc/96/98/02/1119969802.db2.gz FGVRRZGFCAASRT-UGKGYDQZSA-N 2 1 366.553 4.069 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3csc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000191329318 1119971587 /nfs/dbraw/zinc/97/15/87/1119971587.db2.gz VNVNNDYPAITHSC-GFCCVEGCSA-N 2 1 350.919 4.128 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000191571216 1119984817 /nfs/dbraw/zinc/98/48/17/1119984817.db2.gz ABTDOMDKHDNJSH-QHCPKHFHSA-N 2 1 368.569 4.111 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(Cl)cs3)CC2)cs1 ZINC000193098570 1120099827 /nfs/dbraw/zinc/09/98/27/1120099827.db2.gz ITGDOPBZWUKCAX-UHFFFAOYSA-N 2 1 369.987 4.422 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000193297999 1120125873 /nfs/dbraw/zinc/12/58/73/1120125873.db2.gz MPTCGDYRKNHFTC-SIKLNZKXSA-N 2 1 370.562 4.288 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000193297999 1120125877 /nfs/dbraw/zinc/12/58/77/1120125877.db2.gz MPTCGDYRKNHFTC-SIKLNZKXSA-N 2 1 370.562 4.288 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000542500489 1120226970 /nfs/dbraw/zinc/22/69/70/1120226970.db2.gz ZGFSJQRGLHBWSF-BEFAXECRSA-N 2 1 362.439 4.147 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494891608 1120359361 /nfs/dbraw/zinc/35/93/61/1120359361.db2.gz QLUSPRISNMCVPB-KNKQGSTJSA-N 2 1 362.533 4.395 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495105406 1120477297 /nfs/dbraw/zinc/47/72/97/1120477297.db2.gz BRMCMPBXMWGHLH-LAUBAEHRSA-N 2 1 368.569 4.255 20 0 FIADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001168484340 1120639300 /nfs/dbraw/zinc/63/93/00/1120639300.db2.gz FTULFKXKIUTUDM-LJQANCHMSA-N 2 1 367.512 4.140 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000495434209 1120809769 /nfs/dbraw/zinc/80/97/69/1120809769.db2.gz QSBIOIUUFVFPHA-BBTUJRGHSA-N 2 1 350.506 4.278 20 0 FIADMP Brc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000236782622 1120969921 /nfs/dbraw/zinc/96/99/21/1120969921.db2.gz VKLKXBKECFEISO-UHFFFAOYSA-N 2 1 351.332 4.336 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073750 1121106974 /nfs/dbraw/zinc/10/69/74/1121106974.db2.gz RAVDLHVHFJSGOQ-SJLPKXTDSA-N 2 1 368.550 4.225 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073750 1121106977 /nfs/dbraw/zinc/10/69/77/1121106977.db2.gz RAVDLHVHFJSGOQ-SJLPKXTDSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073750 1121106981 /nfs/dbraw/zinc/10/69/81/1121106981.db2.gz RAVDLHVHFJSGOQ-SJLPKXTDSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@H](C)C1 ZINC000763073750 1121106983 /nfs/dbraw/zinc/10/69/83/1121106983.db2.gz RAVDLHVHFJSGOQ-SJLPKXTDSA-N 2 1 368.550 4.225 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000398068135 1121340996 /nfs/dbraw/zinc/34/09/96/1121340996.db2.gz YIGDMANXNXNQQF-FGSXEWAUSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000398068135 1121341006 /nfs/dbraw/zinc/34/10/06/1121341006.db2.gz YIGDMANXNXNQQF-FGSXEWAUSA-N 2 1 368.521 4.265 20 0 FIADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000061039937 1121505882 /nfs/dbraw/zinc/50/58/82/1121505882.db2.gz LATNTGJVYRKUDL-UHFFFAOYSA-N 2 1 359.739 4.266 20 0 FIADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(-c2ccccc2)cc1OC ZINC000062426967 1121541233 /nfs/dbraw/zinc/54/12/33/1121541233.db2.gz HMCALRVYYGOICY-SFHVURJKSA-N 2 1 368.521 4.191 20 0 FIADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000124571910 1121705381 /nfs/dbraw/zinc/70/53/81/1121705381.db2.gz QHBHFLFMPIURHH-YXJHDRRASA-N 2 1 358.448 4.103 20 0 FIADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000124571910 1121705385 /nfs/dbraw/zinc/70/53/85/1121705385.db2.gz QHBHFLFMPIURHH-YXJHDRRASA-N 2 1 358.448 4.103 20 0 FIADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000124571414 1121705492 /nfs/dbraw/zinc/70/54/92/1121705492.db2.gz QHBHFLFMPIURHH-QILLFSRXSA-N 2 1 358.448 4.103 20 0 FIADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000124571414 1121705498 /nfs/dbraw/zinc/70/54/98/1121705498.db2.gz QHBHFLFMPIURHH-QILLFSRXSA-N 2 1 358.448 4.103 20 0 FIADMP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124601782 1121707552 /nfs/dbraw/zinc/70/75/52/1121707552.db2.gz AHWSGHCEMWOZDJ-OTWHNJEPSA-N 2 1 368.521 4.155 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC(C)(C)c3ccccc3)CC2)oc1C ZINC001649091579 1121730137 /nfs/dbraw/zinc/73/01/37/1121730137.db2.gz RVJBXFMOYVKPKD-UHFFFAOYSA-N 2 1 355.526 4.071 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125633150 1121799979 /nfs/dbraw/zinc/79/99/79/1121799979.db2.gz ZEELHGOLARAGAG-KRWDZBQOSA-N 2 1 358.555 4.187 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000125633150 1121799986 /nfs/dbraw/zinc/79/99/86/1121799986.db2.gz ZEELHGOLARAGAG-KRWDZBQOSA-N 2 1 358.555 4.187 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805763 1121842783 /nfs/dbraw/zinc/84/27/83/1121842783.db2.gz DOAJZNVWHSFBDK-SJLPKXTDSA-N 2 1 358.505 4.091 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805763 1121842795 /nfs/dbraw/zinc/84/27/95/1121842795.db2.gz DOAJZNVWHSFBDK-SJLPKXTDSA-N 2 1 358.505 4.091 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000125872747 1121858369 /nfs/dbraw/zinc/85/83/69/1121858369.db2.gz CBIMCBMPNFGQTO-IBGZPJMESA-N 2 1 363.977 4.014 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000126546578 1121963982 /nfs/dbraw/zinc/96/39/82/1121963982.db2.gz AUGAXYCFWOCZIF-JOCHJYFZSA-N 2 1 373.585 4.031 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000917008854 1121994929 /nfs/dbraw/zinc/99/49/29/1121994929.db2.gz SXGUFALSCXEEIA-KSFYIVLOSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC000917008330 1122000135 /nfs/dbraw/zinc/00/01/35/1122000135.db2.gz JQNNPQFWRIUWJD-IERDGZPVSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000765798084 1122013809 /nfs/dbraw/zinc/01/38/09/1122013809.db2.gz DTVSQBAXTARKCJ-DYESRHJHSA-N 2 1 360.542 4.158 20 0 FIADMP COCCNc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000127115742 1122051044 /nfs/dbraw/zinc/05/10/44/1122051044.db2.gz PVYCSNMBACUHDO-QGZVFWFLSA-N 2 1 364.493 4.090 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672370 1122078100 /nfs/dbraw/zinc/07/81/00/1122078100.db2.gz ZLBPHKBDLWLFOF-UTKZUKDTSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672370 1122078112 /nfs/dbraw/zinc/07/81/12/1122078112.db2.gz ZLBPHKBDLWLFOF-UTKZUKDTSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672370 1122078120 /nfs/dbraw/zinc/07/81/20/1122078120.db2.gz ZLBPHKBDLWLFOF-UTKZUKDTSA-N 2 1 374.960 4.407 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000127390197 1122089260 /nfs/dbraw/zinc/08/92/60/1122089260.db2.gz BBUMOMYEEDZGKO-GFCCVEGCSA-N 2 1 354.267 4.224 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000127610594 1122126012 /nfs/dbraw/zinc/12/60/12/1122126012.db2.gz MLTSSTUPNGXPMT-UHFFFAOYSA-N 2 1 354.317 4.070 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000127610594 1122126018 /nfs/dbraw/zinc/12/60/18/1122126018.db2.gz MLTSSTUPNGXPMT-UHFFFAOYSA-N 2 1 354.317 4.070 20 0 FIADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OCc1cccs1 ZINC000623655122 1122128197 /nfs/dbraw/zinc/12/81/97/1122128197.db2.gz ORRRCKPDBRMXIE-GOSISDBHSA-N 2 1 374.550 4.157 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(OC(F)F)c3)CC2)[nH+]1 ZINC000128137035 1122195942 /nfs/dbraw/zinc/19/59/42/1122195942.db2.gz PCLTWFPFLRXXHF-HNNXBMFYSA-N 2 1 361.436 4.311 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccccc3OC(F)F)CC2)[nH+]1 ZINC000128134522 1122196314 /nfs/dbraw/zinc/19/63/14/1122196314.db2.gz AWFSMORGMYNBQI-HNNXBMFYSA-N 2 1 361.436 4.311 20 0 FIADMP COc1cc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)ccc1SC ZINC000128196977 1122204150 /nfs/dbraw/zinc/20/41/50/1122204150.db2.gz DVOZXUOCILKVGM-INIZCTEOSA-N 2 1 371.550 4.440 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262653102 1122335717 /nfs/dbraw/zinc/33/57/17/1122335717.db2.gz SCUXUQKVEFZBBW-MSOLQXFVSA-N 2 1 357.542 4.013 20 0 FIADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000128555925 1122342203 /nfs/dbraw/zinc/34/22/03/1122342203.db2.gz SRNMYRAMNNAJFH-IBGZPJMESA-N 2 1 371.491 4.164 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000069160438 1122557560 /nfs/dbraw/zinc/55/75/60/1122557560.db2.gz ZKLHAIZGHJFTHS-SFHVURJKSA-N 2 1 374.550 4.157 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000556059635 1122628770 /nfs/dbraw/zinc/62/87/70/1122628770.db2.gz UMBYBLSCYIMBPV-PABCKOPISA-N 2 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059635 1122628772 /nfs/dbraw/zinc/62/87/72/1122628772.db2.gz UMBYBLSCYIMBPV-PABCKOPISA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059635 1122628775 /nfs/dbraw/zinc/62/87/75/1122628775.db2.gz UMBYBLSCYIMBPV-PABCKOPISA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059635 1122628777 /nfs/dbraw/zinc/62/87/77/1122628777.db2.gz UMBYBLSCYIMBPV-PABCKOPISA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059635 1122628781 /nfs/dbraw/zinc/62/87/81/1122628781.db2.gz UMBYBLSCYIMBPV-PABCKOPISA-N 3 1 357.586 4.170 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[C@H]1c1ccccc1 ZINC000556173916 1122715099 /nfs/dbraw/zinc/71/50/99/1122715099.db2.gz DBCPIRCVRVXDAQ-GSPCLOLRSA-N 2 1 368.496 4.471 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[C@H]1c1ccccc1 ZINC000556173916 1122715104 /nfs/dbraw/zinc/71/51/04/1122715104.db2.gz DBCPIRCVRVXDAQ-GSPCLOLRSA-N 2 1 368.496 4.471 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cn2ccccc2n1 ZINC000556236301 1122754065 /nfs/dbraw/zinc/75/40/65/1122754065.db2.gz PVNGCSFLJLPQDI-OALUTQOASA-N 2 1 362.521 4.417 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cn2ccccc2n1 ZINC000556236301 1122754068 /nfs/dbraw/zinc/75/40/68/1122754068.db2.gz PVNGCSFLJLPQDI-OALUTQOASA-N 2 1 362.521 4.417 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000556257786 1122767651 /nfs/dbraw/zinc/76/76/51/1122767651.db2.gz MYLFEMPRFVYEBK-LAUBAEHRSA-N 2 1 372.940 4.391 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000556257786 1122767654 /nfs/dbraw/zinc/76/76/54/1122767654.db2.gz MYLFEMPRFVYEBK-LAUBAEHRSA-N 2 1 372.940 4.391 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130397587 1122841119 /nfs/dbraw/zinc/84/11/19/1122841119.db2.gz UYEWWFNQRNOPHK-QILLFSRXSA-N 2 1 358.448 4.103 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130397587 1122841123 /nfs/dbraw/zinc/84/11/23/1122841123.db2.gz UYEWWFNQRNOPHK-QILLFSRXSA-N 2 1 358.448 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000130412435 1122843265 /nfs/dbraw/zinc/84/32/65/1122843265.db2.gz IWWHXTJAIQPTCP-NEWSRXKRSA-N 2 1 370.459 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000130412435 1122843270 /nfs/dbraw/zinc/84/32/70/1122843270.db2.gz IWWHXTJAIQPTCP-NEWSRXKRSA-N 2 1 370.459 4.103 20 0 FIADMP COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000131038659 1122966605 /nfs/dbraw/zinc/96/66/05/1122966605.db2.gz PNMWFIOHOYGWEC-MRXNPFEDSA-N 2 1 365.477 4.091 20 0 FIADMP c1c2ccccc2oc1[C@@H](NCCCNc1ccccn1)c1cccnc1 ZINC000498927911 1123086402 /nfs/dbraw/zinc/08/64/02/1123086402.db2.gz HGGUXJGTRLXFKU-QFIPXVFZSA-N 2 1 358.445 4.404 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556890431 1123176407 /nfs/dbraw/zinc/17/64/07/1123176407.db2.gz LKHDNBQLJQVCJZ-ITHJZZCUSA-N 2 1 370.581 4.472 20 0 FIADMP CC(C)CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000556889924 1123177248 /nfs/dbraw/zinc/17/72/48/1123177248.db2.gz KVFYDOCECGMMFE-FGZHOGPDSA-N 2 1 356.510 4.113 20 0 FIADMP COc1cccc(C2([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000556912147 1123203704 /nfs/dbraw/zinc/20/37/04/1123203704.db2.gz QVZYXTVQDPAKMQ-UYAOXDASSA-N 2 1 350.506 4.185 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)CC[N@H+]1C ZINC000556914521 1123223283 /nfs/dbraw/zinc/22/32/83/1123223283.db2.gz JILBKYHSFUCFQH-STQMWFEESA-N 2 1 357.361 4.005 20 0 FIADMP OCC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000556922827 1123231773 /nfs/dbraw/zinc/23/17/73/1123231773.db2.gz NNIIORISIGAZAU-IBGZPJMESA-N 2 1 371.352 4.414 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000556933507 1123246075 /nfs/dbraw/zinc/24/60/75/1123246075.db2.gz LFUFBIMPVZWEOW-NRFANRHFSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000556933507 1123246078 /nfs/dbraw/zinc/24/60/78/1123246078.db2.gz LFUFBIMPVZWEOW-NRFANRHFSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933507 1123246082 /nfs/dbraw/zinc/24/60/82/1123246082.db2.gz LFUFBIMPVZWEOW-NRFANRHFSA-N 2 1 372.944 4.060 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933507 1123246084 /nfs/dbraw/zinc/24/60/84/1123246084.db2.gz LFUFBIMPVZWEOW-NRFANRHFSA-N 2 1 372.944 4.060 20 0 FIADMP CCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499150343 1123293184 /nfs/dbraw/zinc/29/31/84/1123293184.db2.gz XQWCDJVNBRTBKN-KOUNCHBCSA-N 2 1 350.506 4.371 20 0 FIADMP CCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499150343 1123293188 /nfs/dbraw/zinc/29/31/88/1123293188.db2.gz XQWCDJVNBRTBKN-KOUNCHBCSA-N 2 1 350.506 4.371 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499150701 1123293978 /nfs/dbraw/zinc/29/39/78/1123293978.db2.gz JTQLNVCMLPNTGT-NUNAXRQHSA-N 2 1 364.533 4.331 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000074222248 1123315540 /nfs/dbraw/zinc/31/55/40/1123315540.db2.gz YYTHPELWBSVPLJ-GOSISDBHSA-N 2 1 368.525 4.410 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000074222248 1123315545 /nfs/dbraw/zinc/31/55/45/1123315545.db2.gz YYTHPELWBSVPLJ-GOSISDBHSA-N 2 1 368.525 4.410 20 0 FIADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499231281 1123339559 /nfs/dbraw/zinc/33/95/59/1123339559.db2.gz UTCPZCBFWQFIAD-HWHRFOGPSA-N 2 1 364.533 4.411 20 0 FIADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232945 1123341421 /nfs/dbraw/zinc/34/14/21/1123341421.db2.gz ZFUNUWZLYUSKAJ-HLRQEUIKSA-N 2 1 368.496 4.378 20 0 FIADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[N@H+](CC4CCCC4)C2)C3)cc1 ZINC000499256250 1123367265 /nfs/dbraw/zinc/36/72/65/1123367265.db2.gz PAJBZMAPPSKBJU-JLLPCOHGSA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256250 1123367271 /nfs/dbraw/zinc/36/72/71/1123367271.db2.gz PAJBZMAPPSKBJU-JLLPCOHGSA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256250 1123367276 /nfs/dbraw/zinc/36/72/76/1123367276.db2.gz PAJBZMAPPSKBJU-JLLPCOHGSA-N 2 1 367.581 4.036 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000515679088 1123443676 /nfs/dbraw/zinc/44/36/76/1123443676.db2.gz HBZMJKNUYNHASL-VWNXMTODSA-N 2 1 374.532 4.414 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000515679088 1123443685 /nfs/dbraw/zinc/44/36/85/1123443685.db2.gz HBZMJKNUYNHASL-VWNXMTODSA-N 2 1 374.532 4.414 20 0 FIADMP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133456982 1123489452 /nfs/dbraw/zinc/48/94/52/1123489452.db2.gz OJCXWOIGMUUUPJ-HNNXBMFYSA-N 2 1 361.555 4.232 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000237050307 1123592446 /nfs/dbraw/zinc/59/24/46/1123592446.db2.gz AQRMMSKXIYHYFW-UXHICEINSA-N 2 1 373.928 4.276 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC000237609261 1123644292 /nfs/dbraw/zinc/64/42/92/1123644292.db2.gz DXMUMCUGESPYOS-HDICACEKSA-N 2 1 358.551 4.394 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000237751377 1124049410 /nfs/dbraw/zinc/04/94/10/1124049410.db2.gz PFKDNQJQFPROCZ-UHFFFAOYSA-N 2 1 358.505 4.027 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCOc4ccccc42)C3)cc1 ZINC000245652509 1124167346 /nfs/dbraw/zinc/16/73/46/1124167346.db2.gz CUUINBMNHBWJSY-YSFYHYPLSA-N 2 1 362.517 4.338 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCOc4ccccc42)C3)cc1 ZINC000245652505 1124167608 /nfs/dbraw/zinc/16/76/08/1124167608.db2.gz CUUINBMNHBWJSY-KJJMTIBFSA-N 2 1 362.517 4.338 20 0 FIADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245655382 1124169739 /nfs/dbraw/zinc/16/97/39/1124169739.db2.gz DIPBLBRGIQDEHT-FADBTOOJSA-N 2 1 356.554 4.223 20 0 FIADMP Cc1nc(C)c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000245655524 1124170357 /nfs/dbraw/zinc/17/03/57/1124170357.db2.gz DLSMZPQSDZSFAM-ACDBMABISA-N 2 1 355.551 4.088 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000245676159 1124187103 /nfs/dbraw/zinc/18/71/03/1124187103.db2.gz ICOQGBIDZGCHQU-LRGNLBRXSA-N 2 1 364.489 4.262 20 0 FIADMP COCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000245680388 1124192478 /nfs/dbraw/zinc/19/24/78/1124192478.db2.gz IRZHZBPTCOZEOS-KOUNCHBCSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474598285 1124217244 /nfs/dbraw/zinc/21/72/44/1124217244.db2.gz KQQQNQVHQDQRTG-VBWXLCSBSA-N 2 1 364.496 4.223 20 0 FIADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750856 1124239742 /nfs/dbraw/zinc/23/97/42/1124239742.db2.gz UBMYHFBZHNPFMH-BXXSPATCSA-N 2 1 350.506 4.159 20 0 FIADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245750856 1124239745 /nfs/dbraw/zinc/23/97/45/1124239745.db2.gz UBMYHFBZHNPFMH-BXXSPATCSA-N 2 1 350.506 4.159 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245897508 1124275047 /nfs/dbraw/zinc/27/50/47/1124275047.db2.gz NIGWYJGIBFRGRO-BHDDXSALSA-N 2 1 368.521 4.205 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000542840819 1124435462 /nfs/dbraw/zinc/43/54/62/1124435462.db2.gz WUUBJNMUFKHMKS-SFHVURJKSA-N 2 1 358.913 4.303 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000542840819 1124435465 /nfs/dbraw/zinc/43/54/65/1124435465.db2.gz WUUBJNMUFKHMKS-SFHVURJKSA-N 2 1 358.913 4.303 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246316862 1124443577 /nfs/dbraw/zinc/44/35/77/1124443577.db2.gz FAEZXDOOQXNMOI-KSSFIOAISA-N 2 1 363.958 4.326 20 0 FIADMP c1nc(-c2ccccc2)sc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246566811 1124533973 /nfs/dbraw/zinc/53/39/73/1124533973.db2.gz LFBFORKDVYWEBR-FXAWDEMLSA-N 2 1 353.535 4.259 20 0 FIADMP c1nc(-c2ccccc2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246566811 1124533992 /nfs/dbraw/zinc/53/39/92/1124533992.db2.gz LFBFORKDVYWEBR-FXAWDEMLSA-N 2 1 353.535 4.259 20 0 FIADMP c1nc(-c2ccccc2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246566811 1124534001 /nfs/dbraw/zinc/53/40/01/1124534001.db2.gz LFBFORKDVYWEBR-FXAWDEMLSA-N 2 1 353.535 4.259 20 0 FIADMP CCCCc1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057924958 1124545973 /nfs/dbraw/zinc/54/59/73/1124545973.db2.gz UQIINXMUEVNJCG-GOSISDBHSA-N 2 1 370.541 4.317 20 0 FIADMP CCCCc1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057924958 1124545982 /nfs/dbraw/zinc/54/59/82/1124545982.db2.gz UQIINXMUEVNJCG-GOSISDBHSA-N 2 1 370.541 4.317 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1Cl ZINC000765919206 1124589628 /nfs/dbraw/zinc/58/96/28/1124589628.db2.gz KHPXKVJHCUADPV-INIZCTEOSA-N 2 1 359.901 4.060 20 0 FIADMP CC(C)n1ncc2cc(CN3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cnc21 ZINC000247115768 1124592200 /nfs/dbraw/zinc/59/22/00/1124592200.db2.gz YNPGLJAHBBXFRH-MOPGFXCFSA-N 2 1 369.557 4.099 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000247177503 1124596335 /nfs/dbraw/zinc/59/63/35/1124596335.db2.gz SWCXFEUAANDTLB-BFWZDYSYSA-N 2 1 364.496 4.082 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@@H](C)C1 ZINC000247205524 1124599467 /nfs/dbraw/zinc/59/94/67/1124599467.db2.gz WQYDDIMIJWYYKE-ZYSHUDEJSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)[C@@H](C)C1 ZINC000247205524 1124599471 /nfs/dbraw/zinc/59/94/71/1124599471.db2.gz WQYDDIMIJWYYKE-ZYSHUDEJSA-N 2 1 366.546 4.089 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000247237003 1124610601 /nfs/dbraw/zinc/61/06/01/1124610601.db2.gz YSEWEITXQISBED-ZWKOTPCHSA-N 2 1 372.557 4.133 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC(F)F)[C@H](C)C1 ZINC000247893115 1124730258 /nfs/dbraw/zinc/73/02/58/1124730258.db2.gz FZIBEQSXNSHIEA-NUJGCVRESA-N 2 1 370.484 4.076 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC(F)F)[C@H](C)C1 ZINC000247893115 1124730265 /nfs/dbraw/zinc/73/02/65/1124730265.db2.gz FZIBEQSXNSHIEA-NUJGCVRESA-N 2 1 370.484 4.076 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247943653 1124732328 /nfs/dbraw/zinc/73/23/28/1124732328.db2.gz DGZZGWVGZKJYJG-XPGWFJOJSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247943653 1124732330 /nfs/dbraw/zinc/73/23/30/1124732330.db2.gz DGZZGWVGZKJYJG-XPGWFJOJSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000247999978 1124737147 /nfs/dbraw/zinc/73/71/47/1124737147.db2.gz KIEZGZWTGNLMSX-JBACZVJFSA-N 2 1 372.553 4.160 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)[C@@H](C)C1 ZINC000247999978 1124737149 /nfs/dbraw/zinc/73/71/49/1124737149.db2.gz KIEZGZWTGNLMSX-JBACZVJFSA-N 2 1 372.553 4.160 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000248066025 1124740507 /nfs/dbraw/zinc/74/05/07/1124740507.db2.gz MGCRAZDFUQKPPQ-JZXOWHBKSA-N 2 1 361.555 4.084 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(c1ccccc1)c1ccccc1 ZINC000248175039 1124748546 /nfs/dbraw/zinc/74/85/46/1124748546.db2.gz VLPZKJWCFDXFGQ-OFNKIYASSA-N 2 1 366.549 4.034 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248402540 1124762229 /nfs/dbraw/zinc/76/22/29/1124762229.db2.gz NHPKBHIHABRBKT-UEXGIBASSA-N 2 1 366.553 4.484 20 0 FIADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248433302 1124768284 /nfs/dbraw/zinc/76/82/84/1124768284.db2.gz DBWUQAFCDKHJIJ-YLJYHZDGSA-N 2 1 364.489 4.159 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000248451999 1124771069 /nfs/dbraw/zinc/77/10/69/1124771069.db2.gz PPSLVMLSBLFKJL-LPHOPBHVSA-N 2 1 358.551 4.118 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248753991 1124810040 /nfs/dbraw/zinc/81/00/40/1124810040.db2.gz CLBLVHIHZKNWGO-VWNVYAMZSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248753991 1124810043 /nfs/dbraw/zinc/81/00/43/1124810043.db2.gz CLBLVHIHZKNWGO-VWNVYAMZSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248753991 1124810050 /nfs/dbraw/zinc/81/00/50/1124810050.db2.gz CLBLVHIHZKNWGO-VWNVYAMZSA-N 2 1 366.480 4.435 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000521917910 1124827441 /nfs/dbraw/zinc/82/74/41/1124827441.db2.gz LKBQGEKZKMENIQ-UEUFPXFLSA-N 3 1 369.597 4.455 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000521917910 1124827447 /nfs/dbraw/zinc/82/74/47/1124827447.db2.gz LKBQGEKZKMENIQ-UEUFPXFLSA-N 3 1 369.597 4.455 20 0 FIADMP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089594366 1124916407 /nfs/dbraw/zinc/91/64/07/1124916407.db2.gz HGOIUNJCQHIJJD-FCHUYYIVSA-N 2 1 356.554 4.023 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089701112 1124929112 /nfs/dbraw/zinc/92/91/12/1124929112.db2.gz VXKBUVNLLBCEMA-GOSISDBHSA-N 2 1 357.325 4.071 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091285173 1125061800 /nfs/dbraw/zinc/06/18/00/1125061800.db2.gz GKWLQOKOPVHIAJ-JOCHJYFZSA-N 2 1 361.549 4.064 20 0 FIADMP COc1ccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000252176797 1125062918 /nfs/dbraw/zinc/06/29/18/1125062918.db2.gz PDCRYLAKVAUYFM-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccc(OCCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000252176797 1125062927 /nfs/dbraw/zinc/06/29/27/1125062927.db2.gz PDCRYLAKVAUYFM-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccc(OCCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000252176797 1125062935 /nfs/dbraw/zinc/06/29/35/1125062935.db2.gz PDCRYLAKVAUYFM-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)c1 ZINC000091310349 1125064034 /nfs/dbraw/zinc/06/40/34/1125064034.db2.gz ZUPWPJJEFASTEQ-QGZVFWFLSA-N 2 1 350.510 4.264 20 0 FIADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cc(C)ccc1OC ZINC000091733839 1125090025 /nfs/dbraw/zinc/09/00/25/1125090025.db2.gz ZQCJFZNQCLPJTQ-HXUWFJFHSA-N 2 1 368.525 4.120 20 0 FIADMP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000181941337 1125189551 /nfs/dbraw/zinc/18/95/51/1125189551.db2.gz RZSLATLOWVXORO-RHKCVOJBSA-N 2 1 356.554 4.014 20 0 FIADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)c4ccccc34)C2)C1 ZINC000644843138 568186425 /nfs/dbraw/zinc/18/64/25/568186425.db2.gz QOIWTKZWRNNYJY-XMMPIXPASA-N 2 1 359.517 4.217 20 0 FIADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(Cc4ccccc4)c4ccccc34)C2)C1 ZINC000644843138 568186426 /nfs/dbraw/zinc/18/64/26/568186426.db2.gz QOIWTKZWRNNYJY-XMMPIXPASA-N 2 1 359.517 4.217 20 0 FIADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)c4ccccc34)C2)C1 ZINC000644843138 568186427 /nfs/dbraw/zinc/18/64/27/568186427.db2.gz QOIWTKZWRNNYJY-XMMPIXPASA-N 2 1 359.517 4.217 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2N(C)C)cc1F ZINC000093943068 1125544007 /nfs/dbraw/zinc/54/40/07/1125544007.db2.gz SMMXEQDSNUTAJU-OAHLLOKOSA-N 2 1 352.457 4.237 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000118774577 1079688386 /nfs/dbraw/zinc/68/83/86/1079688386.db2.gz DWAKQMRSMPOCSB-UHFFFAOYSA-N 2 1 368.525 4.267 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000510095243 1079992044 /nfs/dbraw/zinc/99/20/44/1079992044.db2.gz IXSPWHKOTHFOBS-UHFFFAOYSA-N 2 1 373.585 4.367 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000510095243 1079992045 /nfs/dbraw/zinc/99/20/45/1079992045.db2.gz IXSPWHKOTHFOBS-UHFFFAOYSA-N 2 1 373.585 4.367 20 0 FIADMP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC001208614563 1080018866 /nfs/dbraw/zinc/01/88/66/1080018866.db2.gz FBNJRPIIVGIAGX-QTEQDKRBSA-N 2 1 352.522 4.469 20 0 FIADMP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001208614563 1080018893 /nfs/dbraw/zinc/01/88/93/1080018893.db2.gz FBNJRPIIVGIAGX-QTEQDKRBSA-N 2 1 352.522 4.469 20 0 FIADMP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208614563 1080018900 /nfs/dbraw/zinc/01/89/00/1080018900.db2.gz FBNJRPIIVGIAGX-QTEQDKRBSA-N 2 1 352.522 4.469 20 0 FIADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179465837 1080181250 /nfs/dbraw/zinc/18/12/50/1080181250.db2.gz AUNITNQZLSDJTR-JQVVWYNYSA-N 2 1 367.537 4.322 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180402945 1080494624 /nfs/dbraw/zinc/49/46/24/1080494624.db2.gz CGXOFHPJTZRSIA-QHCPKHFHSA-N 2 1 352.522 4.175 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180431920 1080498869 /nfs/dbraw/zinc/49/88/69/1080498869.db2.gz HLBUSGDPGKVINW-UHFFFAOYSA-N 2 1 351.450 4.260 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4cc(C)ccc4C[C@@H]3C)CC2)oc1C ZINC000180524336 1080508656 /nfs/dbraw/zinc/50/86/56/1080508656.db2.gz NIJRDRYBMWGWQZ-QMHKHESXSA-N 2 1 367.537 4.335 20 0 FIADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)CC3 ZINC000180564812 1080519286 /nfs/dbraw/zinc/51/92/86/1080519286.db2.gz MBFDBUJBHFNZGQ-LJQANCHMSA-N 2 1 374.532 4.296 20 0 FIADMP C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155001769 1080551990 /nfs/dbraw/zinc/55/19/90/1080551990.db2.gz DNQQCEKCBDVLAW-OAHLLOKOSA-N 2 1 371.506 4.194 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000510173546 1080729025 /nfs/dbraw/zinc/72/90/25/1080729025.db2.gz AFAZMXSUTUJQTE-UHFFFAOYSA-N 2 1 368.521 4.226 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000398107423 1080784137 /nfs/dbraw/zinc/78/41/37/1080784137.db2.gz BZKGGEZKGJTIKC-MQNAVGNWSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000398107423 1080784143 /nfs/dbraw/zinc/78/41/43/1080784143.db2.gz BZKGGEZKGJTIKC-MQNAVGNWSA-N 2 1 350.506 4.270 20 0 FIADMP COc1cc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C)n1 ZINC001648795329 1080792302 /nfs/dbraw/zinc/79/23/02/1080792302.db2.gz NCCIUBWPTJAJAM-GOSISDBHSA-N 2 1 367.537 4.371 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398167254 1080813382 /nfs/dbraw/zinc/81/33/82/1080813382.db2.gz UAVUAINHVJRTFJ-IUKKYPGJSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398167254 1080813395 /nfs/dbraw/zinc/81/33/95/1080813395.db2.gz UAVUAINHVJRTFJ-IUKKYPGJSA-N 2 1 365.521 4.206 20 0 FIADMP Brc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000236696585 1080888570 /nfs/dbraw/zinc/88/85/70/1080888570.db2.gz XECOLWKCVYMNAD-UHFFFAOYSA-N 2 1 363.299 4.318 20 0 FIADMP CC(C)C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167240461 1080896875 /nfs/dbraw/zinc/89/68/75/1080896875.db2.gz GDXUHMMXKKKHPZ-UHFFFAOYSA-N 2 1 352.522 4.177 20 0 FIADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167240461 1080896884 /nfs/dbraw/zinc/89/68/84/1080896884.db2.gz GDXUHMMXKKKHPZ-UHFFFAOYSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cccnc1Cl ZINC000160289649 1080961671 /nfs/dbraw/zinc/96/16/71/1080961671.db2.gz DMDRAMHRLOYRQW-MRXNPFEDSA-N 2 1 361.917 4.306 20 0 FIADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000655705200 1081126763 /nfs/dbraw/zinc/12/67/63/1081126763.db2.gz YUSIWTMBOOJGPX-OAQYLSRUSA-N 2 1 356.554 4.040 20 0 FIADMP C[N@@H+](Cc1ccccc1NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655746809 1081166790 /nfs/dbraw/zinc/16/67/90/1081166790.db2.gz GVFPQMVULDSKJL-JOCHJYFZSA-N 2 1 371.569 4.116 20 0 FIADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000655751691 1081168868 /nfs/dbraw/zinc/16/88/68/1081168868.db2.gz QESOJOWMLPHGGX-PKTZIBPZSA-N 2 1 364.533 4.037 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC001648814395 1081218994 /nfs/dbraw/zinc/21/89/94/1081218994.db2.gz KZOVUGQOCKETBS-FQEVSTJZSA-N 2 1 357.586 4.130 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC001648828686 1081265951 /nfs/dbraw/zinc/26/59/51/1081265951.db2.gz PTEQMVHCNYRYRS-NOUOYNBVSA-N 2 1 350.506 4.210 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121918904 1081272378 /nfs/dbraw/zinc/27/23/78/1081272378.db2.gz FVZFVLVOUDBPRG-QFIPXVFZSA-N 2 1 368.496 4.118 20 0 FIADMP CSc1cc(Br)ccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001648882614 1081342793 /nfs/dbraw/zinc/34/27/93/1081342793.db2.gz YSPJLPLYKDTYQP-CQSZACIVSA-N 2 1 371.388 4.383 20 0 FIADMP C[N@@H+](CCN1CC[NH+](CCC2CCCCCC2)CC1)Cc1ccccc1 ZINC001167337009 1081470118 /nfs/dbraw/zinc/47/01/18/1081470118.db2.gz DLRRVFLBSHHBOU-UHFFFAOYSA-N 2 1 357.586 4.097 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000312640005 1081500444 /nfs/dbraw/zinc/50/04/44/1081500444.db2.gz IHBTXHZSRPHQLS-PKTZIBPZSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000312640005 1081500451 /nfs/dbraw/zinc/50/04/51/1081500451.db2.gz IHBTXHZSRPHQLS-PKTZIBPZSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@@H]3C2)cc1 ZINC000312640005 1081500459 /nfs/dbraw/zinc/50/04/59/1081500459.db2.gz IHBTXHZSRPHQLS-PKTZIBPZSA-N 2 1 357.501 4.189 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)[C@H]1c1cccs1 ZINC000683770589 1081530464 /nfs/dbraw/zinc/53/04/64/1081530464.db2.gz JPMRMSGEQUNPGX-FPOVZHCZSA-N 2 1 351.519 4.469 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)[C@H]1c1cccs1 ZINC000683770589 1081530467 /nfs/dbraw/zinc/53/04/67/1081530467.db2.gz JPMRMSGEQUNPGX-FPOVZHCZSA-N 2 1 351.519 4.469 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000683771612 1081532432 /nfs/dbraw/zinc/53/24/32/1081532432.db2.gz XGLGZNQMGMOABG-HROJSSOGSA-N 2 1 359.517 4.481 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000580129428 1081623776 /nfs/dbraw/zinc/62/37/76/1081623776.db2.gz ZWLUBEIVWXELMH-UHFFFAOYSA-N 2 1 357.498 4.003 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000580129428 1081623787 /nfs/dbraw/zinc/62/37/87/1081623787.db2.gz ZWLUBEIVWXELMH-UHFFFAOYSA-N 2 1 357.498 4.003 20 0 FIADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249321 1081780427 /nfs/dbraw/zinc/78/04/27/1081780427.db2.gz CICCOUJTKOCEOC-WMZHIEFXSA-N 2 1 350.506 4.053 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125126249 1081905367 /nfs/dbraw/zinc/90/53/67/1081905367.db2.gz QMFBZQPEWKLCFQ-CVDCTZTESA-N 2 1 352.522 4.059 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398024980 1081914708 /nfs/dbraw/zinc/91/47/08/1081914708.db2.gz BWQMAKLQTYBNBI-CNNODRBYSA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398024980 1081914709 /nfs/dbraw/zinc/91/47/09/1081914709.db2.gz BWQMAKLQTYBNBI-CNNODRBYSA-N 2 1 352.522 4.126 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000580501590 1081985466 /nfs/dbraw/zinc/98/54/66/1081985466.db2.gz LYLXFPRDHJTMJB-SIKLNZKXSA-N 2 1 352.522 4.132 20 0 FIADMP Cc1cc(C)cc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000684005200 1082053519 /nfs/dbraw/zinc/05/35/19/1082053519.db2.gz MEANIZNMQKRWJZ-UHFFFAOYSA-N 2 1 353.510 4.095 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638064 1082060117 /nfs/dbraw/zinc/06/01/17/1082060117.db2.gz QAHCDRGUGOSIFU-DENIHFKCSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638064 1082060127 /nfs/dbraw/zinc/06/01/27/1082060127.db2.gz QAHCDRGUGOSIFU-DENIHFKCSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638064 1082060134 /nfs/dbraw/zinc/06/01/34/1082060134.db2.gz QAHCDRGUGOSIFU-DENIHFKCSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638064 1082060141 /nfs/dbraw/zinc/06/01/41/1082060141.db2.gz QAHCDRGUGOSIFU-DENIHFKCSA-N 2 1 367.537 4.049 20 0 FIADMP CCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC ZINC000581100803 1082314015 /nfs/dbraw/zinc/31/40/15/1082314015.db2.gz YCAHFWRXECILSI-YOFSQIOKSA-N 2 1 360.542 4.321 20 0 FIADMP CCCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCC ZINC000581100803 1082314021 /nfs/dbraw/zinc/31/40/21/1082314021.db2.gz YCAHFWRXECILSI-YOFSQIOKSA-N 2 1 360.542 4.321 20 0 FIADMP CCCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000581100803 1082314029 /nfs/dbraw/zinc/31/40/29/1082314029.db2.gz YCAHFWRXECILSI-YOFSQIOKSA-N 2 1 360.542 4.321 20 0 FIADMP CCCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000581100803 1082314038 /nfs/dbraw/zinc/31/40/38/1082314038.db2.gz YCAHFWRXECILSI-YOFSQIOKSA-N 2 1 360.542 4.321 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000544000854 1082410004 /nfs/dbraw/zinc/41/00/04/1082410004.db2.gz DGZYVHPDRVOHNS-SFHVURJKSA-N 2 1 362.315 4.401 20 0 FIADMP COc1cncc(/C=C\CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000581307754 1082447595 /nfs/dbraw/zinc/44/75/95/1082447595.db2.gz CYXQOWCRWBICLU-AATOQMJSSA-N 2 1 362.477 4.338 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cncc(Br)c2)c1 ZINC000581618453 1082714969 /nfs/dbraw/zinc/71/49/69/1082714969.db2.gz CMMHIAKPLABCDP-AWEZNQCLSA-N 2 1 362.315 4.147 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157443657 1082843623 /nfs/dbraw/zinc/84/36/23/1082843623.db2.gz NRAHVXKYRYTYBA-HXUWFJFHSA-N 2 1 351.494 4.324 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157443657 1082843627 /nfs/dbraw/zinc/84/36/27/1082843627.db2.gz NRAHVXKYRYTYBA-HXUWFJFHSA-N 2 1 351.494 4.324 20 0 FIADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]CCSCc3ccccc3)C2)cc1 ZINC000430760094 1083154302 /nfs/dbraw/zinc/15/43/02/1083154302.db2.gz QPERIILUCLTANP-JOCHJYFZSA-N 2 1 354.563 4.074 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510669335 1083228962 /nfs/dbraw/zinc/22/89/62/1083228962.db2.gz VHMKZCAKTOMAQF-LSDHHAIUSA-N 2 1 353.432 4.457 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510669332 1083229031 /nfs/dbraw/zinc/22/90/31/1083229031.db2.gz VHMKZCAKTOMAQF-CABCVRRESA-N 2 1 353.432 4.457 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510669334 1083229193 /nfs/dbraw/zinc/22/91/93/1083229193.db2.gz VHMKZCAKTOMAQF-HUUCEWRRSA-N 2 1 353.432 4.457 20 0 FIADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430930254 1083240442 /nfs/dbraw/zinc/24/04/42/1083240442.db2.gz XUWSIEPSVHLUAB-GOSISDBHSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930254 1083240443 /nfs/dbraw/zinc/24/04/43/1083240443.db2.gz XUWSIEPSVHLUAB-GOSISDBHSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930254 1083240447 /nfs/dbraw/zinc/24/04/47/1083240447.db2.gz XUWSIEPSVHLUAB-GOSISDBHSA-N 3 1 361.549 4.015 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000510703534 1083247010 /nfs/dbraw/zinc/24/70/10/1083247010.db2.gz OKAFFCMBBXIINR-DLBZAZTESA-N 2 1 350.934 4.270 20 0 FIADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1OCc1cccs1 ZINC000060816836 1083301196 /nfs/dbraw/zinc/30/11/96/1083301196.db2.gz LKURFFFFGHKAGD-UHFFFAOYSA-N 2 1 362.539 4.013 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000092165393 1083358154 /nfs/dbraw/zinc/35/81/54/1083358154.db2.gz SQFCTNNKNYMYNU-UHFFFAOYSA-N 2 1 354.922 4.054 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000092165393 1083358156 /nfs/dbraw/zinc/35/81/56/1083358156.db2.gz SQFCTNNKNYMYNU-UHFFFAOYSA-N 2 1 354.922 4.054 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320033 1083405696 /nfs/dbraw/zinc/40/56/96/1083405696.db2.gz MLVHMHZJKSZXEB-HKUYNNGSSA-N 2 1 353.485 4.174 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320033 1083405703 /nfs/dbraw/zinc/40/57/03/1083405703.db2.gz MLVHMHZJKSZXEB-HKUYNNGSSA-N 2 1 353.485 4.174 20 0 FIADMP CCOC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658318694 1083405806 /nfs/dbraw/zinc/40/58/06/1083405806.db2.gz SDLCTOMDGZPNBT-ITAUSPCMSA-N 2 1 356.554 4.226 20 0 FIADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318664 1083405926 /nfs/dbraw/zinc/40/59/26/1083405926.db2.gz RTAAYXDWVARCHR-FDFHNCONSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320035 1083406379 /nfs/dbraw/zinc/40/63/79/1083406379.db2.gz MLVHMHZJKSZXEB-MJGOQNOKSA-N 2 1 353.485 4.174 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320035 1083406385 /nfs/dbraw/zinc/40/63/85/1083406385.db2.gz MLVHMHZJKSZXEB-MJGOQNOKSA-N 2 1 353.485 4.174 20 0 FIADMP C[C@H]([NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)c1nccn1C ZINC000658336116 1083412136 /nfs/dbraw/zinc/41/21/36/1083412136.db2.gz NQPBFHUVHRZNFK-RXVVDRJESA-N 2 1 372.532 4.463 20 0 FIADMP CCCCCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000548482328 1083454804 /nfs/dbraw/zinc/45/48/04/1083454804.db2.gz CWKRQROKWKOWOG-UGKGYDQZSA-N 2 1 368.569 4.382 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548483508 1083467810 /nfs/dbraw/zinc/46/78/10/1083467810.db2.gz ATFUGWZMQXYKNF-GHTZIAJQSA-N 2 1 365.521 4.035 20 0 FIADMP COCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485787 1083478633 /nfs/dbraw/zinc/47/86/33/1083478633.db2.gz DLAJICQHHICWCY-TYPHKJRUSA-N 2 1 356.510 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485787 1083478639 /nfs/dbraw/zinc/47/86/39/1083478639.db2.gz DLAJICQHHICWCY-TYPHKJRUSA-N 2 1 356.510 4.166 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1)C(C)C ZINC000548884446 1083505396 /nfs/dbraw/zinc/50/53/96/1083505396.db2.gz GTIBBFOTQTWCBR-UHFFFAOYSA-N 2 1 353.510 4.231 20 0 FIADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1C ZINC000510932089 1083506536 /nfs/dbraw/zinc/50/65/36/1083506536.db2.gz UQWCELSWQSCAGS-SFHVURJKSA-N 2 1 364.331 4.345 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958697 1083536024 /nfs/dbraw/zinc/53/60/24/1083536024.db2.gz MNUCLERCYAQJFT-KNQAVFIVSA-N 2 1 368.569 4.285 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000510958697 1083536037 /nfs/dbraw/zinc/53/60/37/1083536037.db2.gz MNUCLERCYAQJFT-KNQAVFIVSA-N 2 1 368.569 4.285 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000510958060 1083537365 /nfs/dbraw/zinc/53/73/65/1083537365.db2.gz KKJOOYWTWJZAPG-GQWLDOHISA-N 2 1 360.517 4.454 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000535777907 1083652234 /nfs/dbraw/zinc/65/22/34/1083652234.db2.gz SNUFKRGBCPZPJB-HNNXBMFYSA-N 2 1 362.876 4.162 20 0 FIADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001167499186 1084015888 /nfs/dbraw/zinc/01/58/88/1084015888.db2.gz DFZSTYBGWNILCI-NHCUHLMSSA-N 2 1 353.485 4.315 20 0 FIADMP COc1cccc(SCC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001167506050 1084205194 /nfs/dbraw/zinc/20/51/94/1084205194.db2.gz XMODYLRFPMIAGV-FQEVSTJZSA-N 2 1 370.562 4.241 20 0 FIADMP COc1cccc(SCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001167506050 1084205204 /nfs/dbraw/zinc/20/52/04/1084205204.db2.gz XMODYLRFPMIAGV-FQEVSTJZSA-N 2 1 370.562 4.241 20 0 FIADMP COc1cccc(SCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001167506050 1084205213 /nfs/dbraw/zinc/20/52/13/1084205213.db2.gz XMODYLRFPMIAGV-FQEVSTJZSA-N 2 1 370.562 4.241 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000414085901 1084497493 /nfs/dbraw/zinc/49/74/93/1084497493.db2.gz YXURFMGFIIIYFW-OALUTQOASA-N 2 1 368.521 4.075 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000414085901 1084497503 /nfs/dbraw/zinc/49/75/03/1084497503.db2.gz YXURFMGFIIIYFW-OALUTQOASA-N 2 1 368.521 4.075 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000414106885 1084580224 /nfs/dbraw/zinc/58/02/24/1084580224.db2.gz YARHSHDONTXDKO-KSZLIROESA-N 2 1 373.566 4.350 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000613491344 1084819469 /nfs/dbraw/zinc/81/94/69/1084819469.db2.gz OPBJZCHNPYDHSV-UHFFFAOYSA-N 2 1 359.377 4.455 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000613491344 1084819475 /nfs/dbraw/zinc/81/94/75/1084819475.db2.gz OPBJZCHNPYDHSV-UHFFFAOYSA-N 2 1 359.377 4.455 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000613491929 1084829319 /nfs/dbraw/zinc/82/93/19/1084829319.db2.gz DWGDROXMLZVNED-UHFFFAOYSA-N 2 1 353.348 4.393 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@H](c4ccccc4)O3)CC2)cc1 ZINC000582323900 1084867670 /nfs/dbraw/zinc/86/76/70/1084867670.db2.gz VWHYOAMJCMXHPQ-DHIUTWEWSA-N 2 1 350.506 4.161 20 0 FIADMP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277067 1084958519 /nfs/dbraw/zinc/95/85/19/1084958519.db2.gz YWOHJSGXMGJGQI-XPWALMASSA-N 2 1 367.537 4.050 20 0 FIADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277067 1084958523 /nfs/dbraw/zinc/95/85/23/1084958523.db2.gz YWOHJSGXMGJGQI-XPWALMASSA-N 2 1 367.537 4.050 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582438746 1084998882 /nfs/dbraw/zinc/99/88/82/1084998882.db2.gz BBPHOFHFLGNGJW-ZFGGDYGUSA-N 2 1 366.549 4.482 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2ccncc2s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429697 1085003464 /nfs/dbraw/zinc/00/34/64/1085003464.db2.gz IRBPUQVJXZQRGM-VQIMIIECSA-N 2 1 351.519 4.297 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)cc1)C(C)C ZINC000448430318 1085074748 /nfs/dbraw/zinc/07/47/48/1085074748.db2.gz MPWQRMQGKJBRMK-NRFANRHFSA-N 2 1 373.585 4.015 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1)C(C)C ZINC000448430318 1085074754 /nfs/dbraw/zinc/07/47/54/1085074754.db2.gz MPWQRMQGKJBRMK-NRFANRHFSA-N 2 1 373.585 4.015 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1)C(C)C ZINC000448430318 1085074758 /nfs/dbraw/zinc/07/47/58/1085074758.db2.gz MPWQRMQGKJBRMK-NRFANRHFSA-N 2 1 373.585 4.015 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)c(O)c(C)c3)CC2)cs1 ZINC000582513501 1085083488 /nfs/dbraw/zinc/08/34/88/1085083488.db2.gz IDLQUDUWTOVZKH-UHFFFAOYSA-N 2 1 373.566 4.030 20 0 FIADMP CC[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657462094 1085123275 /nfs/dbraw/zinc/12/32/75/1085123275.db2.gz CKHFXPKFQKGDLR-UZQFATADSA-N 2 1 362.945 4.411 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCCc5cccnc54)[C@H]3C2)cc1 ZINC000684960966 1085325031 /nfs/dbraw/zinc/32/50/31/1085325031.db2.gz DOCPKJVLMMAVQK-CWBXHPNXSA-N 2 1 361.533 4.349 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000582681516 1085367778 /nfs/dbraw/zinc/36/77/78/1085367778.db2.gz YIWUAVMEGBNDOG-SOLBZPMBSA-N 2 1 373.928 4.305 20 0 FIADMP FCC[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@H](CCF)C3)c2)C1 ZINC000661690257 1085731379 /nfs/dbraw/zinc/73/13/79/1085731379.db2.gz OYJSBZIPJNDEGO-OALUTQOASA-N 2 1 365.512 4.225 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844801 1085821417 /nfs/dbraw/zinc/82/14/17/1085821417.db2.gz NQBXNGREMGYUAW-IFMALSPDSA-N 3 1 357.586 4.284 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844801 1085821426 /nfs/dbraw/zinc/82/14/26/1085821426.db2.gz NQBXNGREMGYUAW-IFMALSPDSA-N 3 1 357.586 4.284 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844804 1085822551 /nfs/dbraw/zinc/82/25/51/1085822551.db2.gz NQBXNGREMGYUAW-UNMCSNQZSA-N 3 1 357.586 4.284 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582844804 1085822559 /nfs/dbraw/zinc/82/25/59/1085822559.db2.gz NQBXNGREMGYUAW-UNMCSNQZSA-N 3 1 357.586 4.284 20 0 FIADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564087 1085900693 /nfs/dbraw/zinc/90/06/93/1085900693.db2.gz UVGLFDAFPXIPEM-GOSISDBHSA-N 2 1 368.525 4.386 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000582927145 1085929330 /nfs/dbraw/zinc/92/93/30/1085929330.db2.gz STEYOLCBUXAFST-XAMWDVODSA-N 2 1 351.966 4.041 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cnc4ccsc4c3)CC2)nc(C)[nH+]1 ZINC000162296282 1086033349 /nfs/dbraw/zinc/03/33/49/1086033349.db2.gz ZYXYUJUNAZUMNA-AWEZNQCLSA-N 2 1 367.522 4.023 20 0 FIADMP c1ccc(-c2noc([C@@H]3CCCC[N@H+]3Cc3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000662256479 1086380130 /nfs/dbraw/zinc/38/01/30/1086380130.db2.gz IFCPLFMGQNHGBG-NRFANRHFSA-N 2 1 374.488 4.110 20 0 FIADMP c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3Cc3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000662256479 1086380143 /nfs/dbraw/zinc/38/01/43/1086380143.db2.gz IFCPLFMGQNHGBG-NRFANRHFSA-N 2 1 374.488 4.110 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297817 1086400979 /nfs/dbraw/zinc/40/09/79/1086400979.db2.gz SGXWCTUGXKNSKY-AZUAARDMSA-N 2 1 371.569 4.157 20 0 FIADMP CC(C)Oc1ccnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001167659948 1086409080 /nfs/dbraw/zinc/40/90/80/1086409080.db2.gz XYLXAZGUYHDWEC-LJQANCHMSA-N 2 1 359.558 4.345 20 0 FIADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000662328720 1086420396 /nfs/dbraw/zinc/42/03/96/1086420396.db2.gz TZTLBFZMBVUMCV-QHCPKHFHSA-N 2 1 364.537 4.134 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)s1 ZINC000663346895 1086447769 /nfs/dbraw/zinc/44/77/69/1086447769.db2.gz WTAVIWDJWHUEBS-TZMCWYRMSA-N 2 1 357.361 4.283 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCSc4ccccc43)CC2)oc1C ZINC000162738109 1086451338 /nfs/dbraw/zinc/45/13/38/1086451338.db2.gz CFWSNZMNTMLFRO-IBGZPJMESA-N 2 1 371.550 4.330 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290507 1086530393 /nfs/dbraw/zinc/53/03/93/1086530393.db2.gz ZOYHWNOSWSGQQH-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290507 1086530403 /nfs/dbraw/zinc/53/04/03/1086530403.db2.gz ZOYHWNOSWSGQQH-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CCN1C ZINC000165551177 1086536957 /nfs/dbraw/zinc/53/69/57/1086536957.db2.gz LYBXJEPTPYGUER-CVDCTZTESA-N 3 1 374.532 4.171 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663441083 1086543648 /nfs/dbraw/zinc/54/36/48/1086543648.db2.gz VBHZDLMPQFASDA-HNNXBMFYSA-N 2 1 366.328 4.171 20 0 FIADMP Cc1ccccc1-c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750129 1086552273 /nfs/dbraw/zinc/55/22/73/1086552273.db2.gz ASJVYMALVGBJKX-JOCHJYFZSA-N 2 1 350.506 4.005 20 0 FIADMP c1csc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467043 1086569600 /nfs/dbraw/zinc/56/96/00/1086569600.db2.gz ZFCATSARAAPNIX-VQTJNVASSA-N 2 1 355.551 4.139 20 0 FIADMP C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989783 1086582426 /nfs/dbraw/zinc/58/24/26/1086582426.db2.gz MEOUPPNUBBRVBC-ZGYCNENWSA-N 2 1 356.460 4.478 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511993391 1086599240 /nfs/dbraw/zinc/59/92/40/1086599240.db2.gz XIMQYFAOZPKLHL-QXUSOGCVSA-N 2 1 356.460 4.478 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2nc(C3CCCCC3)cs2)s1 ZINC000511996486 1086615616 /nfs/dbraw/zinc/61/56/16/1086615616.db2.gz IEBAOYGRGBWRIN-UHFFFAOYSA-N 2 1 364.584 4.041 20 0 FIADMP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC001648933165 1086631198 /nfs/dbraw/zinc/63/11/98/1086631198.db2.gz KIADVDQGGQHVHD-UHFFFAOYSA-N 2 1 359.514 4.140 20 0 FIADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512011638 1086644632 /nfs/dbraw/zinc/64/46/32/1086644632.db2.gz ZTCZDRIALQDLHC-NSHDSACASA-N 2 1 358.338 4.232 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001167833390 1086664916 /nfs/dbraw/zinc/66/49/16/1086664916.db2.gz ARUKLLYLYLSGJA-OAHLLOKOSA-N 2 1 361.357 4.298 20 0 FIADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000583453748 1086697407 /nfs/dbraw/zinc/69/74/07/1086697407.db2.gz FGJSGKLGTDHGJB-JOCHJYFZSA-N 2 1 351.538 4.213 20 0 FIADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000583453748 1086697415 /nfs/dbraw/zinc/69/74/15/1086697415.db2.gz FGJSGKLGTDHGJB-JOCHJYFZSA-N 2 1 351.538 4.213 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001167836741 1086709021 /nfs/dbraw/zinc/70/90/21/1086709021.db2.gz GMYFCUXMYXEKTP-HXUWFJFHSA-N 3 1 357.586 4.020 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001167836741 1086709028 /nfs/dbraw/zinc/70/90/28/1086709028.db2.gz GMYFCUXMYXEKTP-HXUWFJFHSA-N 3 1 357.586 4.020 20 0 FIADMP CCOC(=O)[C@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001167838963 1086714447 /nfs/dbraw/zinc/71/44/47/1086714447.db2.gz XGHVPSOOFHPCPE-HJNYFJLDSA-N 2 1 374.569 4.166 20 0 FIADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)sc1Br ZINC000512055520 1086716922 /nfs/dbraw/zinc/71/69/22/1086716922.db2.gz DDECMDSVPVCERL-PWSUYJOCSA-N 2 1 356.333 4.311 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001167840018 1086719591 /nfs/dbraw/zinc/71/95/91/1086719591.db2.gz DHECHADXYFMVRM-HNNXBMFYSA-N 2 1 358.448 4.454 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841614 1086738337 /nfs/dbraw/zinc/73/83/37/1086738337.db2.gz NDJQVMKAMNNORW-GHTZIAJQSA-N 2 1 369.594 4.218 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432424574 1086748812 /nfs/dbraw/zinc/74/88/12/1086748812.db2.gz PGUFCYTUUKMARB-GHTZIAJQSA-N 2 1 360.542 4.114 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001167842530 1086754530 /nfs/dbraw/zinc/75/45/30/1086754530.db2.gz YJMKLDZTSYWLCP-BVSLBCMMSA-N 2 1 374.569 4.308 20 0 FIADMP Clc1ccc2c(ccn2CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000583528304 1086770674 /nfs/dbraw/zinc/77/06/74/1086770674.db2.gz NVVLAHKOHABPDL-LAUBAEHRSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528304 1086770683 /nfs/dbraw/zinc/77/06/83/1086770683.db2.gz NVVLAHKOHABPDL-LAUBAEHRSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528304 1086770694 /nfs/dbraw/zinc/77/06/94/1086770694.db2.gz NVVLAHKOHABPDL-LAUBAEHRSA-N 2 1 357.929 4.243 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(F)cc3)CCCCC2)s1 ZINC000512120204 1086788060 /nfs/dbraw/zinc/78/80/60/1086788060.db2.gz FNFAVFMUVYYIGQ-UHFFFAOYSA-N 2 1 361.530 4.336 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250495 1086841291 /nfs/dbraw/zinc/84/12/91/1086841291.db2.gz WQXWGMOSVJQXKD-JESSQELZSA-N 2 1 370.562 4.128 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250495 1086841304 /nfs/dbraw/zinc/84/13/04/1086841304.db2.gz WQXWGMOSVJQXKD-JESSQELZSA-N 2 1 370.562 4.128 20 0 FIADMP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000650741948 1086920240 /nfs/dbraw/zinc/92/02/40/1086920240.db2.gz OILZKNZYYYSEHQ-QHAWAJNXSA-N 2 1 369.484 4.413 20 0 FIADMP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)[C@H]21 ZINC000657787595 1086934300 /nfs/dbraw/zinc/93/43/00/1086934300.db2.gz CVWUKVMVNAXNOU-SNJCGAMXSA-N 2 1 362.492 4.251 20 0 FIADMP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)[C@H]21 ZINC000657787595 1086934306 /nfs/dbraw/zinc/93/43/06/1086934306.db2.gz CVWUKVMVNAXNOU-SNJCGAMXSA-N 2 1 362.492 4.251 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000566728748 1086990213 /nfs/dbraw/zinc/99/02/13/1086990213.db2.gz KYHHCXLCKBEIKG-WBMJQRKESA-N 2 1 371.750 4.064 20 0 FIADMP CC1CC[NH+](CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccc(F)cc2)CC1 ZINC000583879550 1087009040 /nfs/dbraw/zinc/00/90/40/1087009040.db2.gz LHFYNMLCGNFYRQ-QHCPKHFHSA-N 3 1 373.560 4.230 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)C1 ZINC000583969159 1087069981 /nfs/dbraw/zinc/06/99/81/1087069981.db2.gz NPYPBFSYYFKWGG-YUVSOPLDSA-N 2 1 356.554 4.500 20 0 FIADMP CCCCOc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000584105797 1087175959 /nfs/dbraw/zinc/17/59/59/1087175959.db2.gz QCYXLLOAZICNGT-FQEVSTJZSA-N 2 1 360.542 4.038 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(-n2ccnc2)c1 ZINC000151676043 1087203897 /nfs/dbraw/zinc/20/38/97/1087203897.db2.gz ZPDGJPSYSQOGJL-FQEVSTJZSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(Br)c1 ZINC000657838497 1087250290 /nfs/dbraw/zinc/25/02/90/1087250290.db2.gz BRWLJCREZFLJAT-OWCLPIDISA-N 2 1 368.363 4.253 20 0 FIADMP COc1cccc(COCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000090806642 1087414952 /nfs/dbraw/zinc/41/49/52/1087414952.db2.gz PLAZSPWLLFRPJO-QGZVFWFLSA-N 2 1 365.477 4.057 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(C)ccc1OC ZINC000093370263 1087461618 /nfs/dbraw/zinc/46/16/18/1087461618.db2.gz AZQWPNAUUMUVQV-JOCHJYFZSA-N 2 1 368.521 4.077 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc5cnccc5c4)C3)C2)cc1 ZINC000685443046 1087569405 /nfs/dbraw/zinc/56/94/05/1087569405.db2.gz KYLFULFSFIJGJY-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc5cnccc5c4)C3)C2)cc1 ZINC000685443046 1087569408 /nfs/dbraw/zinc/56/94/08/1087569408.db2.gz KYLFULFSFIJGJY-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc5cnccc5c4)C3)C2)cc1 ZINC000685443046 1087569411 /nfs/dbraw/zinc/56/94/11/1087569411.db2.gz KYLFULFSFIJGJY-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685463626 1087575619 /nfs/dbraw/zinc/57/56/19/1087575619.db2.gz RKLONEQZHPFMCP-NRFANRHFSA-N 2 1 370.541 4.084 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nn(C)c3ccccc23)CC1)CC(C)C ZINC000685462603 1087575782 /nfs/dbraw/zinc/57/57/82/1087575782.db2.gz DEFFYOBEUIPWDV-UHFFFAOYSA-N 2 1 356.558 4.153 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)n2)cc1 ZINC000647363716 1087594240 /nfs/dbraw/zinc/59/42/40/1087594240.db2.gz IEIIFIWJRCXPQO-QGZVFWFLSA-N 2 1 359.477 4.030 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720458 1087622426 /nfs/dbraw/zinc/62/24/26/1087622426.db2.gz MSZNWCUQRTZMQK-KNQAVFIVSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685661498 1087666210 /nfs/dbraw/zinc/66/62/10/1087666210.db2.gz UOPUZMXIEIOQDU-LSUHJGNXSA-N 2 1 364.533 4.407 20 0 FIADMP c1cc(C2CCCCC2)ccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658098480 1087714031 /nfs/dbraw/zinc/71/40/31/1087714031.db2.gz MSXLCGYULDWENZ-HSZRJFAPSA-N 2 1 356.554 4.120 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2c1 ZINC000658147227 1087739241 /nfs/dbraw/zinc/73/92/41/1087739241.db2.gz XJPLDLDNVGOSLW-HOYKHHGWSA-N 2 1 360.501 4.257 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](CC3CCC3)c3ccccc3)cc2)C1 ZINC000658136273 1087742758 /nfs/dbraw/zinc/74/27/58/1087742758.db2.gz GMMGYRRLRAIDNE-BJKOFHAPSA-N 2 1 364.533 4.274 20 0 FIADMP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658138411 1087743343 /nfs/dbraw/zinc/74/33/43/1087743343.db2.gz MXSKEEOFZTZICA-NZQKXSOJSA-N 2 1 364.533 4.156 20 0 FIADMP CC(C)n1cncc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000424138732 1087787078 /nfs/dbraw/zinc/78/70/78/1087787078.db2.gz USBMPUSEMBOJDJ-KDURUIRLSA-N 2 1 354.542 4.232 20 0 FIADMP COCc1csc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000658209635 1087795671 /nfs/dbraw/zinc/79/56/71/1087795671.db2.gz IOGLQZBVELVBLF-OWZKRDHZSA-N 2 1 356.535 4.180 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000472590795 1087874328 /nfs/dbraw/zinc/87/43/28/1087874328.db2.gz OILRTZMNVCJHIO-SFHVURJKSA-N 2 1 363.977 4.282 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424280371 1087909921 /nfs/dbraw/zinc/90/99/21/1087909921.db2.gz HEWBRGRPJNWZME-UXHICEINSA-N 2 1 357.567 4.385 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351870 1087938131 /nfs/dbraw/zinc/93/81/31/1087938131.db2.gz PLPWWRSOCPHVGR-POHUPDAJSA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[C@H]2C1 ZINC000424351870 1087938132 /nfs/dbraw/zinc/93/81/32/1087938132.db2.gz PLPWWRSOCPHVGR-POHUPDAJSA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343562 1087953683 /nfs/dbraw/zinc/95/36/83/1087953683.db2.gz FTIAOXXFZRAASJ-VROINQGHSA-N 2 1 356.554 4.082 20 0 FIADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)C[C@H]1c1ccccc1 ZINC000647536428 1087964580 /nfs/dbraw/zinc/96/45/80/1087964580.db2.gz QQSGNQQJJDMABB-QUCCMNQESA-N 2 1 355.551 4.365 20 0 FIADMP CC(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccnc1 ZINC000164153833 1088254676 /nfs/dbraw/zinc/25/46/76/1088254676.db2.gz YXZDWPWKTMPTCB-QHCPKHFHSA-N 2 1 369.528 4.257 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258313 1088478380 /nfs/dbraw/zinc/47/83/80/1088478380.db2.gz WNRHHHSZKZNDHZ-LJHODMEESA-N 2 1 359.514 4.093 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258313 1088478386 /nfs/dbraw/zinc/47/83/86/1088478386.db2.gz WNRHHHSZKZNDHZ-LJHODMEESA-N 2 1 359.514 4.093 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258311 1088479051 /nfs/dbraw/zinc/47/90/51/1088479051.db2.gz WNRHHHSZKZNDHZ-BJZITVGISA-N 2 1 359.514 4.093 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258311 1088479060 /nfs/dbraw/zinc/47/90/60/1088479060.db2.gz WNRHHHSZKZNDHZ-BJZITVGISA-N 2 1 359.514 4.093 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000517270603 1088587453 /nfs/dbraw/zinc/58/74/53/1088587453.db2.gz JIFITNZYBKSFRV-RVKKMQEKSA-N 2 1 368.363 4.395 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000514090568 1088735250 /nfs/dbraw/zinc/73/52/50/1088735250.db2.gz VLBBGXOMWHMGAV-SGNDLWITSA-N 2 1 364.533 4.366 20 0 FIADMP c1c[nH]c([C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C2CCCCC2)n1 ZINC000514092667 1088740241 /nfs/dbraw/zinc/74/02/41/1088740241.db2.gz GBTGBYMRLDOCKK-OAQYLSRUSA-N 2 1 352.526 4.417 20 0 FIADMP CCc1cccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434680325 1088930271 /nfs/dbraw/zinc/93/02/71/1088930271.db2.gz IHHVSQDUBXJLTK-UHFFFAOYSA-N 2 1 353.510 4.040 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc3c2OCC[C@H]3[NH+](C)C)C1 ZINC000435041290 1089216812 /nfs/dbraw/zinc/21/68/12/1089216812.db2.gz IPQWDEMQFGRQMK-SFGWALBWSA-N 2 1 365.521 4.319 20 0 FIADMP CCc1nc2cc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)ccc2n1C1CC1 ZINC000549233421 1089307769 /nfs/dbraw/zinc/30/77/69/1089307769.db2.gz WXPDHRDXYWNEAL-UHFFFAOYSA-N 2 1 354.542 4.286 20 0 FIADMP FC(F)(F)c1cncc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958477 1089438834 /nfs/dbraw/zinc/43/88/34/1089438834.db2.gz FPRSGVUHEALUFC-YQQQUEKLSA-N 2 1 367.459 4.028 20 0 FIADMP Cc1ccccc1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167958519 1089462117 /nfs/dbraw/zinc/46/21/17/1089462117.db2.gz GPSXWTIURXFHAW-PQFKCJEGSA-N 2 1 361.533 4.474 20 0 FIADMP Cc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccncc1 ZINC001167958519 1089462121 /nfs/dbraw/zinc/46/21/21/1089462121.db2.gz GPSXWTIURXFHAW-PQFKCJEGSA-N 2 1 361.533 4.474 20 0 FIADMP Cc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccncc1 ZINC001167958519 1089462128 /nfs/dbraw/zinc/46/21/28/1089462128.db2.gz GPSXWTIURXFHAW-PQFKCJEGSA-N 2 1 361.533 4.474 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369365 1089579973 /nfs/dbraw/zinc/57/99/73/1089579973.db2.gz DVZUXZMESFZNDK-WBVHZDCISA-N 2 1 371.912 4.152 20 0 FIADMP c1cc(C[N@@H+](Cc2cnc3ccccc3c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435429687 1089647471 /nfs/dbraw/zinc/64/74/71/1089647471.db2.gz YNGSPHCHFLGAJG-OAQYLSRUSA-N 2 1 363.530 4.441 20 0 FIADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980294 1089735546 /nfs/dbraw/zinc/73/55/46/1089735546.db2.gz MQDDGMXLLGFDIG-MBSDFSHPSA-N 2 1 350.506 4.184 20 0 FIADMP C[C@@H]([NH2+]CC1(c2ccc(Br)s2)CCC1)c1c[nH+]ccc1N ZINC000515164811 1089821472 /nfs/dbraw/zinc/82/14/72/1089821472.db2.gz KPZDUTWAKFQOLS-LLVKDONJSA-N 2 1 366.328 4.091 20 0 FIADMP c1csc(C[N@H+](Cc2cccc3ccccc32)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435686386 1089847864 /nfs/dbraw/zinc/84/78/64/1089847864.db2.gz UKKPXNUTEWOOFP-HXUWFJFHSA-N 2 1 363.530 4.441 20 0 FIADMP c1csc(C[N@@H+](Cc2cccc3ccccc32)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435686386 1089847880 /nfs/dbraw/zinc/84/78/80/1089847880.db2.gz UKKPXNUTEWOOFP-HXUWFJFHSA-N 2 1 363.530 4.441 20 0 FIADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000182094260 1090048621 /nfs/dbraw/zinc/04/86/21/1090048621.db2.gz YRVMAUVLWQNFLI-QGZVFWFLSA-N 2 1 364.468 4.076 20 0 FIADMP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000181941359 1090318116 /nfs/dbraw/zinc/31/81/16/1090318116.db2.gz RZSLATLOWVXORO-FBHNJWQJSA-N 2 1 356.554 4.014 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000660007087 1090399699 /nfs/dbraw/zinc/39/96/99/1090399699.db2.gz YWBOXEQKLIDBLU-GOSISDBHSA-N 2 1 352.526 4.106 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@@H]3C[C@H]3c3cccs3)CCCC2)CC1 ZINC000417311451 1090804342 /nfs/dbraw/zinc/80/43/42/1090804342.db2.gz LWDLYYIKVZQHCW-NZSAHSFTSA-N 2 1 362.583 4.253 20 0 FIADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584871325 1090962024 /nfs/dbraw/zinc/96/20/24/1090962024.db2.gz SPDCCLGFZGTDSX-QFIPXVFZSA-N 2 1 351.538 4.215 20 0 FIADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000500086768 1091029250 /nfs/dbraw/zinc/02/92/50/1091029250.db2.gz DQTKVMDTCRIDQP-FPOVZHCZSA-N 2 1 361.574 4.031 20 0 FIADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927084 1091101620 /nfs/dbraw/zinc/10/16/20/1091101620.db2.gz HVJSGFBEFZHVQP-IIZPIQPGSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927084 1091101623 /nfs/dbraw/zinc/10/16/23/1091101623.db2.gz HVJSGFBEFZHVQP-IIZPIQPGSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927084 1091101626 /nfs/dbraw/zinc/10/16/26/1091101626.db2.gz HVJSGFBEFZHVQP-IIZPIQPGSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927084 1091101629 /nfs/dbraw/zinc/10/16/29/1091101629.db2.gz HVJSGFBEFZHVQP-IIZPIQPGSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(C[NH+](C)C)ccc1Br ZINC001167753466 1091171113 /nfs/dbraw/zinc/17/11/13/1091171113.db2.gz ITKKFCHHZWUZON-OAHLLOKOSA-N 2 1 368.363 4.187 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390685390 1091400199 /nfs/dbraw/zinc/40/01/99/1091400199.db2.gz XPVVBLFSSASETL-GCJKJVERSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390685390 1091400208 /nfs/dbraw/zinc/40/02/08/1091400208.db2.gz XPVVBLFSSASETL-GCJKJVERSA-N 2 1 352.522 4.214 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388542623 1091509897 /nfs/dbraw/zinc/50/98/97/1091509897.db2.gz RSXFTXKBFWWFQN-SIKLNZKXSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 ZINC000512215146 1091915456 /nfs/dbraw/zinc/91/54/56/1091915456.db2.gz VLYURKBVOBYDQF-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215146 1091915457 /nfs/dbraw/zinc/91/54/57/1091915457.db2.gz VLYURKBVOBYDQF-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215146 1091915462 /nfs/dbraw/zinc/91/54/62/1091915462.db2.gz VLYURKBVOBYDQF-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215146 1091915468 /nfs/dbraw/zinc/91/54/68/1091915468.db2.gz VLYURKBVOBYDQF-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215146 1091915469 /nfs/dbraw/zinc/91/54/69/1091915469.db2.gz VLYURKBVOBYDQF-MSOLQXFVSA-N 2 1 355.501 4.460 20 0 FIADMP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000428166785 1092219486 /nfs/dbraw/zinc/21/94/86/1092219486.db2.gz STHQMSRRQKCQLQ-KSSFIOAISA-N 2 1 361.436 4.065 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000665259258 1092268954 /nfs/dbraw/zinc/26/89/54/1092268954.db2.gz ZWLFPCZAPXYYEY-QJWFJBDNSA-N 2 1 360.517 4.131 20 0 FIADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011996 1092314573 /nfs/dbraw/zinc/31/45/73/1092314573.db2.gz UUMDZNQBZNIULO-JLVBRIDZSA-N 2 1 357.448 4.321 20 0 FIADMP COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)cc1 ZINC000432792905 1092383353 /nfs/dbraw/zinc/38/33/53/1092383353.db2.gz MPDCEEGVGRQHRS-LJQANCHMSA-N 2 1 354.494 4.404 20 0 FIADMP COc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2)cc1 ZINC000432792905 1092383361 /nfs/dbraw/zinc/38/33/61/1092383361.db2.gz MPDCEEGVGRQHRS-LJQANCHMSA-N 2 1 354.494 4.404 20 0 FIADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000521043695 1092443079 /nfs/dbraw/zinc/44/30/79/1092443079.db2.gz HSCYQSIVNPZOHM-DENIHFKCSA-N 2 1 374.532 4.076 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000237167368 1092466275 /nfs/dbraw/zinc/46/62/75/1092466275.db2.gz MOEUSPZQZBFHDB-UHFFFAOYSA-N 2 1 351.494 4.162 20 0 FIADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000665281459 1092600958 /nfs/dbraw/zinc/60/09/58/1092600958.db2.gz DBJRGJLVFBHNDY-IRLDBZIGSA-N 2 1 351.469 4.426 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@@H]1c1cccs1 ZINC000442787050 1092762398 /nfs/dbraw/zinc/76/23/98/1092762398.db2.gz HBIPHBVHGSMHIT-ZMPRRUGASA-N 2 1 365.546 4.369 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@@H]1c1cccs1 ZINC000442787050 1092762409 /nfs/dbraw/zinc/76/24/09/1092762409.db2.gz HBIPHBVHGSMHIT-ZMPRRUGASA-N 2 1 365.546 4.369 20 0 FIADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442872582 1092819789 /nfs/dbraw/zinc/81/97/89/1092819789.db2.gz JUNMTAMBLFEZNC-SFHVURJKSA-N 2 1 371.491 4.162 20 0 FIADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2cccs2)cc1 ZINC000442890525 1092844804 /nfs/dbraw/zinc/84/48/04/1092844804.db2.gz ONFPCDFEXYCOPA-QGZVFWFLSA-N 2 1 357.567 4.092 20 0 FIADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000442921945 1092867897 /nfs/dbraw/zinc/86/78/97/1092867897.db2.gz OBERUUIHGYGXPN-INIZCTEOSA-N 2 1 371.912 4.153 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000474039829 1092951226 /nfs/dbraw/zinc/95/12/26/1092951226.db2.gz TWOLZINXHHLXJL-MENZVKOBSA-N 2 1 370.581 4.472 20 0 FIADMP COCc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000521918126 1092972079 /nfs/dbraw/zinc/97/20/79/1092972079.db2.gz XCKFSAGRMSDWSO-UHFFFAOYSA-N 2 1 352.522 4.366 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)cc1 ZINC000152107434 1092994530 /nfs/dbraw/zinc/99/45/30/1092994530.db2.gz AWKCHMICSBSRCX-GOSISDBHSA-N 2 1 371.488 4.276 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015829 1093038816 /nfs/dbraw/zinc/03/88/16/1093038816.db2.gz SMWQPCYCNSNXRW-IYRWYFENSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512634891 1093051257 /nfs/dbraw/zinc/05/12/57/1093051257.db2.gz FSQFWOPKHYGXKU-JMJGKCIBSA-N 2 1 370.581 4.066 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512644196 1093057887 /nfs/dbraw/zinc/05/78/87/1093057887.db2.gz ZZEALLKTKIQGTN-BFRACDOUSA-N 2 1 370.581 4.470 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512653422 1093079621 /nfs/dbraw/zinc/07/96/21/1093079621.db2.gz FDPWQVLRHVWNDA-BHIFYINESA-N 2 1 356.554 4.084 20 0 FIADMP C[NH+]1CCC(Nc2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000433032288 1093134769 /nfs/dbraw/zinc/13/47/69/1093134769.db2.gz ACHDGNHHUFKWPA-UHFFFAOYSA-N 2 1 360.299 4.381 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000474068052 1093182646 /nfs/dbraw/zinc/18/26/46/1093182646.db2.gz SJVNQTSGNBJODO-ACIOBRDBSA-N 2 1 356.554 4.144 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000474073798 1093188767 /nfs/dbraw/zinc/18/87/67/1093188767.db2.gz PDXVQXKOHHFRJK-KRWDZBQOSA-N 2 1 350.497 4.497 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC(C)C)cc2)[C@H](C)C1 ZINC000469787217 1093295712 /nfs/dbraw/zinc/29/57/12/1093295712.db2.gz NXVTZHCUEIOBTF-WIYYLYMNSA-N 2 1 364.599 4.414 20 0 FIADMP Cc1cccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000443598482 1093311990 /nfs/dbraw/zinc/31/19/90/1093311990.db2.gz BUJWCKSXOZWEKB-UHFFFAOYSA-N 2 1 368.525 4.133 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC001168026891 1093498555 /nfs/dbraw/zinc/49/85/55/1093498555.db2.gz LXDXUEVXFJUNAM-RMFSNUHRSA-N 2 1 368.521 4.322 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC001168026891 1093498562 /nfs/dbraw/zinc/49/85/62/1093498562.db2.gz LXDXUEVXFJUNAM-RMFSNUHRSA-N 2 1 368.521 4.322 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032981 1093681176 /nfs/dbraw/zinc/68/11/76/1093681176.db2.gz JHHOUJFWGZETEP-NPDDRXJXSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032981 1093681183 /nfs/dbraw/zinc/68/11/83/1093681183.db2.gz JHHOUJFWGZETEP-NPDDRXJXSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032981 1093681188 /nfs/dbraw/zinc/68/11/88/1093681188.db2.gz JHHOUJFWGZETEP-NPDDRXJXSA-N 2 1 355.570 4.035 20 0 FIADMP COc1ccc2nc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)sc2c1 ZINC000474343860 1093695272 /nfs/dbraw/zinc/69/52/72/1093695272.db2.gz DYSNFGBWDSSRCG-UHFFFAOYSA-N 2 1 367.518 4.191 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513346171 1094077961 /nfs/dbraw/zinc/07/79/61/1094077961.db2.gz RJLDXCIUHPZDIX-ZHHKINOHSA-N 2 1 352.526 4.010 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513346171 1094077965 /nfs/dbraw/zinc/07/79/65/1094077965.db2.gz RJLDXCIUHPZDIX-ZHHKINOHSA-N 2 1 352.526 4.010 20 0 FIADMP COCc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513498945 1094172167 /nfs/dbraw/zinc/17/21/67/1094172167.db2.gz CTWRQCDPIKBCIH-AUSIDOKSSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000513499811 1094172993 /nfs/dbraw/zinc/17/29/93/1094172993.db2.gz IXZCODLMEVSWNO-WIYYLYMNSA-N 2 1 368.521 4.094 20 0 FIADMP c1ccc2c(c1)oc1ccc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)cc12 ZINC000896036464 1094285692 /nfs/dbraw/zinc/28/56/92/1094285692.db2.gz RJKFBCCTESQFNQ-UHFFFAOYSA-N 2 1 364.489 4.319 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001648965395 1094306682 /nfs/dbraw/zinc/30/66/82/1094306682.db2.gz MTNQTQMWNDGWRS-QFIPXVFZSA-N 2 1 374.532 4.183 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001648965395 1094306699 /nfs/dbraw/zinc/30/66/99/1094306699.db2.gz MTNQTQMWNDGWRS-QFIPXVFZSA-N 2 1 374.532 4.183 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000513703686 1094410403 /nfs/dbraw/zinc/41/04/03/1094410403.db2.gz YTAFXKCLPSWFPR-FSSWDIPSSA-N 2 1 350.506 4.195 20 0 FIADMP C[N@H+](Cc1cccc(OC(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027671 1094444597 /nfs/dbraw/zinc/44/45/97/1094444597.db2.gz KVIJLRLEFNLKIV-UHFFFAOYSA-N 2 1 361.436 4.031 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(F)cn23)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039672 1094450469 /nfs/dbraw/zinc/45/04/69/1094450469.db2.gz HALMYMZOCXORGD-XEMDLRDOSA-N 2 1 366.484 4.005 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(F)cn23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039672 1094450472 /nfs/dbraw/zinc/45/04/72/1094450472.db2.gz HALMYMZOCXORGD-XEMDLRDOSA-N 2 1 366.484 4.005 20 0 FIADMP C[C@H]1CC([N@@H+]2CCc3c(O)cccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039699 1094450712 /nfs/dbraw/zinc/45/07/12/1094450712.db2.gz HKSMVUIXDMJZOO-ROUUACIJSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@H]1CC([N@H+]2CCc3c(O)cccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039699 1094450720 /nfs/dbraw/zinc/45/07/20/1094450720.db2.gz HKSMVUIXDMJZOO-ROUUACIJSA-N 2 1 350.506 4.192 20 0 FIADMP C[N@H+](Cc1ncc(Cl)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049409 1094456297 /nfs/dbraw/zinc/45/62/97/1094456297.db2.gz YZSZKQOZRSQTCJ-UHFFFAOYSA-N 2 1 365.308 4.132 20 0 FIADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396330 1094481124 /nfs/dbraw/zinc/48/11/24/1094481124.db2.gz NEGUIXPVNRZKHO-QFBILLFUSA-N 2 1 361.574 4.094 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501137698 1094524925 /nfs/dbraw/zinc/52/49/25/1094524925.db2.gz WJDKYVMIUPTRIT-MRXNPFEDSA-N 2 1 372.384 4.402 20 0 FIADMP COc1ccc2c(c1)C[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168041114 1094532286 /nfs/dbraw/zinc/53/22/86/1094532286.db2.gz QUBFLJUBWBAGBN-OALUTQOASA-N 2 1 364.533 4.495 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168041114 1094532292 /nfs/dbraw/zinc/53/22/92/1094532292.db2.gz QUBFLJUBWBAGBN-OALUTQOASA-N 2 1 364.533 4.495 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@H]1c1ccccc1 ZINC000453377237 1094534674 /nfs/dbraw/zinc/53/46/74/1094534674.db2.gz JUOIADJSVBKGAD-ZGXWSNOMSA-N 2 1 356.535 4.393 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@H]1c1ccccc1 ZINC000453377237 1094534677 /nfs/dbraw/zinc/53/46/77/1094534677.db2.gz JUOIADJSVBKGAD-ZGXWSNOMSA-N 2 1 356.535 4.393 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000467295215 1094567726 /nfs/dbraw/zinc/56/77/26/1094567726.db2.gz KNHNSYNGASRXCU-NRFANRHFSA-N 2 1 356.485 4.452 20 0 FIADMP C[NH+](CCC(F)(F)F)Cc1ccccc1C[N@@H+](C)CCC(F)(F)F ZINC000098136923 1094570772 /nfs/dbraw/zinc/57/07/72/1094570772.db2.gz CGMRPAJEEIMBSX-UHFFFAOYSA-N 2 1 356.354 4.455 20 0 FIADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1 ZINC000474799243 1094618700 /nfs/dbraw/zinc/61/87/00/1094618700.db2.gz ODAVQANIDUXGQY-RBUKOAKNSA-N 2 1 374.569 4.200 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)C1CCOCC1 ZINC000474816191 1094660516 /nfs/dbraw/zinc/66/05/16/1094660516.db2.gz KCAQYEIYNSLDNG-OAQYLSRUSA-N 2 1 366.549 4.484 20 0 FIADMP C[C@H]1CC([NH2+]CCCC(=O)c2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042292 1094680632 /nfs/dbraw/zinc/68/06/32/1094680632.db2.gz YTHYSJZWXICNQP-OALUTQOASA-N 2 1 365.521 4.076 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000420299835 1094868119 /nfs/dbraw/zinc/86/81/19/1094868119.db2.gz JNGLETVLAVWJLZ-GOEBONIOSA-N 2 1 355.507 4.040 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000420299835 1094868139 /nfs/dbraw/zinc/86/81/39/1094868139.db2.gz JNGLETVLAVWJLZ-GOEBONIOSA-N 2 1 355.507 4.040 20 0 FIADMP c1cc(C[N@H+](CCCCC2CCOCC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420320631 1094881831 /nfs/dbraw/zinc/88/18/31/1094881831.db2.gz YUCJSGMHYCFWPE-FQEVSTJZSA-N 2 1 362.583 4.289 20 0 FIADMP CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420318071 1094882364 /nfs/dbraw/zinc/88/23/64/1094882364.db2.gz VOIAKVPGLDILRF-LJQANCHMSA-N 2 1 358.917 4.069 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420366057 1094901306 /nfs/dbraw/zinc/90/13/06/1094901306.db2.gz JFCOOHGCLKYMAQ-FDDCHVKYSA-N 2 1 363.505 4.075 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420366057 1094901309 /nfs/dbraw/zinc/90/13/09/1094901309.db2.gz JFCOOHGCLKYMAQ-FDDCHVKYSA-N 2 1 363.505 4.075 20 0 FIADMP C[C@H]1C[C@]1([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000420927659 1095168161 /nfs/dbraw/zinc/16/81/61/1095168161.db2.gz ADPLMPNKJZAEMS-HTAPYJJXSA-N 2 1 370.924 4.197 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)[nH+]1 ZINC000502250670 1095268343 /nfs/dbraw/zinc/26/83/43/1095268343.db2.gz ICUAEXRYNSIYBF-NQIIRXRSSA-N 2 1 350.510 4.070 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)[nH+]c1 ZINC000502268036 1095311355 /nfs/dbraw/zinc/31/13/55/1095311355.db2.gz KRBGJDZVWUSPHI-WIYYLYMNSA-N 2 1 350.510 4.070 20 0 FIADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502324955 1095349754 /nfs/dbraw/zinc/34/97/54/1095349754.db2.gz GXJVJJJDMLUVAJ-WMHRWZGDSA-N 2 1 351.494 4.121 20 0 FIADMP C[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)CC1CC[NH+](C)CC1 ZINC000513742017 1095367589 /nfs/dbraw/zinc/36/75/89/1095367589.db2.gz SMBCWBGTHSHVBI-UHFFFAOYSA-N 2 1 355.309 4.043 20 0 FIADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000502330575 1095368634 /nfs/dbraw/zinc/36/86/34/1095368634.db2.gz FYYCWEHQIGWKJU-QGZVFWFLSA-N 2 1 364.468 4.286 20 0 FIADMP FC(F)(F)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)s1 ZINC000443970327 1095374761 /nfs/dbraw/zinc/37/47/61/1095374761.db2.gz TXKVLHWJOJVBSE-UHFFFAOYSA-N 2 1 369.456 4.438 20 0 FIADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502327433 1095384411 /nfs/dbraw/zinc/38/44/11/1095384411.db2.gz RWLLYCRDMZMSOJ-OAHLLOKOSA-N 2 1 359.901 4.261 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318413 1095515470 /nfs/dbraw/zinc/51/54/70/1095515470.db2.gz FIHDOQSWURLXQQ-GOSISDBHSA-N 2 1 352.526 4.049 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318413 1095515483 /nfs/dbraw/zinc/51/54/83/1095515483.db2.gz FIHDOQSWURLXQQ-GOSISDBHSA-N 2 1 352.526 4.049 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)CCO1 ZINC000421326345 1095525293 /nfs/dbraw/zinc/52/52/93/1095525293.db2.gz NQCPXTVLZLKCPO-SFHVURJKSA-N 2 1 350.506 4.075 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)CCO1 ZINC000421326345 1095525306 /nfs/dbraw/zinc/52/53/06/1095525306.db2.gz NQCPXTVLZLKCPO-SFHVURJKSA-N 2 1 350.506 4.075 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444197032 1095839876 /nfs/dbraw/zinc/83/98/76/1095839876.db2.gz RCSDHVIGQABCRI-HXUWFJFHSA-N 2 1 374.532 4.309 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444197032 1095839906 /nfs/dbraw/zinc/83/99/06/1095839906.db2.gz RCSDHVIGQABCRI-HXUWFJFHSA-N 2 1 374.532 4.309 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000421827993 1095939600 /nfs/dbraw/zinc/93/96/00/1095939600.db2.gz ALUMRHGBFMCODA-GJYPPUQNSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000421827993 1095939605 /nfs/dbraw/zinc/93/96/05/1095939605.db2.gz ALUMRHGBFMCODA-GJYPPUQNSA-N 2 1 368.949 4.136 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000503002525 1096010139 /nfs/dbraw/zinc/01/01/39/1096010139.db2.gz CPYYDBAQEKLWOR-CTNGQTDRSA-N 2 1 369.578 4.311 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000503073185 1096050044 /nfs/dbraw/zinc/05/00/44/1096050044.db2.gz HAHFRWIBHVACTG-UTCJRWHESA-N 2 1 362.315 4.379 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000503073185 1096050053 /nfs/dbraw/zinc/05/00/53/1096050053.db2.gz HAHFRWIBHVACTG-UTCJRWHESA-N 2 1 362.315 4.379 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000414654327 1096349587 /nfs/dbraw/zinc/34/95/87/1096349587.db2.gz BYKPKUFMXQAMSH-MOPGFXCFSA-N 2 1 360.505 4.017 20 0 FIADMP Clc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422736447 1096476237 /nfs/dbraw/zinc/47/62/37/1096476237.db2.gz YBASHGWPXSQQKO-PKOBYXMFSA-N 2 1 363.288 4.339 20 0 FIADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422880323 1096511156 /nfs/dbraw/zinc/51/11/56/1096511156.db2.gz WSXVLFSCADGUJF-ZANVPECISA-N 2 1 353.240 4.073 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422925096 1096525769 /nfs/dbraw/zinc/52/57/69/1096525769.db2.gz VBVHYYSJBCSRJU-IRXDYDNUSA-N 2 1 352.526 4.396 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12)c1c[nH+]ccc1N ZINC000422935773 1096529484 /nfs/dbraw/zinc/52/94/84/1096529484.db2.gz DPIPOESGJLJDOA-WBXQPOECSA-N 2 1 355.485 4.442 20 0 FIADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1C(F)(F)F ZINC000422920805 1096532873 /nfs/dbraw/zinc/53/28/73/1096532873.db2.gz NWNQJOQXIDLGAU-OLZOCXBDSA-N 2 1 353.388 4.021 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422990332 1096539719 /nfs/dbraw/zinc/53/97/19/1096539719.db2.gz BQXSUENXLMXBDJ-XZOQPEGZSA-N 2 1 361.489 4.146 20 0 FIADMP Fc1ccc(C2([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)c(F)c1 ZINC000423028194 1096553984 /nfs/dbraw/zinc/55/39/84/1096553984.db2.gz QJUARVSKATVBAF-CTNGQTDRSA-N 2 1 370.443 4.190 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423106708 1096583253 /nfs/dbraw/zinc/58/32/53/1096583253.db2.gz OUCBJASLRSCBPW-BDWVSVIHSA-N 3 1 363.977 4.361 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000414718275 1096583662 /nfs/dbraw/zinc/58/36/62/1096583662.db2.gz VOUVHWUKEIEOMQ-NRFANRHFSA-N 2 1 372.557 4.090 20 0 FIADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423109680 1096585123 /nfs/dbraw/zinc/58/51/23/1096585123.db2.gz SWFIUUVWKMFJRF-YPAWHYETSA-N 2 1 365.521 4.061 20 0 FIADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000423190227 1096612061 /nfs/dbraw/zinc/61/20/61/1096612061.db2.gz QPYLJMLDJCGOEV-SFHVURJKSA-N 2 1 362.315 4.065 20 0 FIADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000423341462 1096650691 /nfs/dbraw/zinc/65/06/91/1096650691.db2.gz UMUUJEXIACWEBD-SJORKVTESA-N 2 1 351.494 4.191 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CC[NH2+]1 ZINC000423377785 1096659646 /nfs/dbraw/zinc/65/96/46/1096659646.db2.gz KJIXGZHVOBQWJI-NIKGAXFTSA-N 2 1 359.311 4.269 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423506990 1096702084 /nfs/dbraw/zinc/70/20/84/1096702084.db2.gz JFWPHBDSZAOXDD-RDPSFJRHSA-N 2 1 365.565 4.152 20 0 FIADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ncc(Br)s1 ZINC000423508352 1096703016 /nfs/dbraw/zinc/70/30/16/1096703016.db2.gz QPUJMQSXUZPTCM-WCQYABFASA-N 2 1 354.317 4.036 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000532971454 1098639604 /nfs/dbraw/zinc/63/96/04/1098639604.db2.gz HYCDITRDHSKLMN-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000532971454 1098639609 /nfs/dbraw/zinc/63/96/09/1098639609.db2.gz HYCDITRDHSKLMN-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000532971454 1098639615 /nfs/dbraw/zinc/63/96/15/1098639615.db2.gz HYCDITRDHSKLMN-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000532971454 1098639623 /nfs/dbraw/zinc/63/96/23/1098639623.db2.gz HYCDITRDHSKLMN-RBUKOAKNSA-N 2 1 365.521 4.274 20 0 FIADMP CC(C)N(C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000515518344 1098656494 /nfs/dbraw/zinc/65/64/94/1098656494.db2.gz GBVMETATKKGWLA-PMACEKPBSA-N 2 1 373.585 4.042 20 0 FIADMP Fc1ccc(-c2ccc(C[NH2+]CCC[NH2+]Cc3cccnc3)s2)cc1 ZINC000414879068 1098754444 /nfs/dbraw/zinc/75/44/44/1098754444.db2.gz ONGBQGBAGPFNME-UHFFFAOYSA-N 2 1 355.482 4.219 20 0 FIADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc2)n1 ZINC000533271863 1098922738 /nfs/dbraw/zinc/92/27/38/1098922738.db2.gz GLPDZJUOEUHDDE-UHFFFAOYSA-N 2 1 354.542 4.041 20 0 FIADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436307816 1098929864 /nfs/dbraw/zinc/92/98/64/1098929864.db2.gz LOZDPJSMPYVGAT-MJGOQNOKSA-N 2 1 354.542 4.271 20 0 FIADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000533310365 1098947776 /nfs/dbraw/zinc/94/77/76/1098947776.db2.gz AOMOOYIONAHXAU-UHFFFAOYSA-N 2 1 356.485 4.321 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000533310365 1098947781 /nfs/dbraw/zinc/94/77/81/1098947781.db2.gz AOMOOYIONAHXAU-UHFFFAOYSA-N 2 1 356.485 4.321 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447233 1099072004 /nfs/dbraw/zinc/07/20/04/1099072004.db2.gz PKNCLIJZTXZWHN-KBPBESRZSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447233 1099072015 /nfs/dbraw/zinc/07/20/15/1099072015.db2.gz PKNCLIJZTXZWHN-KBPBESRZSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447233 1099072029 /nfs/dbraw/zinc/07/20/29/1099072029.db2.gz PKNCLIJZTXZWHN-KBPBESRZSA-N 2 1 372.340 4.127 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000161558353 1099513162 /nfs/dbraw/zinc/51/31/62/1099513162.db2.gz VRGSWHNTEUYBKT-QGZVFWFLSA-N 2 1 359.477 4.271 20 0 FIADMP CC(C)CCn1cccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000161784591 1099536930 /nfs/dbraw/zinc/53/69/30/1099536930.db2.gz AMRRTGQDWYGUCE-FQEVSTJZSA-N 2 1 369.553 4.045 20 0 FIADMP CC(C)CCn1cccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000161784591 1099536942 /nfs/dbraw/zinc/53/69/42/1099536942.db2.gz AMRRTGQDWYGUCE-FQEVSTJZSA-N 2 1 369.553 4.045 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)o1 ZINC000161798205 1099539639 /nfs/dbraw/zinc/53/96/39/1099539639.db2.gz RQXGJTPWWUUQSR-OAHLLOKOSA-N 2 1 361.555 4.424 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000162132709 1099629258 /nfs/dbraw/zinc/62/92/58/1099629258.db2.gz CVIPEDNJVVDBIE-SFHVURJKSA-N 2 1 365.521 4.269 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)C(C)(C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000162227231 1099663340 /nfs/dbraw/zinc/66/33/40/1099663340.db2.gz GNKCLVFHQUCSGZ-KRWDZBQOSA-N 2 1 352.526 4.018 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000162290668 1099679278 /nfs/dbraw/zinc/67/92/78/1099679278.db2.gz PJDGVBIKWCRJSI-QVKFZJNVSA-N 2 1 350.510 4.290 20 0 FIADMP CCCCC/C(=C\c1ccccc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000506012105 1099766020 /nfs/dbraw/zinc/76/60/20/1099766020.db2.gz JTZGUECOHYSFAL-DARPEHSRSA-N 2 1 369.597 4.364 20 0 FIADMP FC(F)(F)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167961999 1099810766 /nfs/dbraw/zinc/81/07/66/1099810766.db2.gz RVPGTFIRSNYGMC-ALOPSCKCSA-N 2 1 354.416 4.080 20 0 FIADMP Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)c1C ZINC000428584971 1099814416 /nfs/dbraw/zinc/81/44/16/1099814416.db2.gz WUQXAYBZTHOETL-OAQYLSRUSA-N 2 1 366.509 4.225 20 0 FIADMP Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)c1C ZINC000428584967 1099815342 /nfs/dbraw/zinc/81/53/42/1099815342.db2.gz WUQXAYBZTHOETL-NRFANRHFSA-N 2 1 366.509 4.225 20 0 FIADMP C[C@H]([NH2+]CCc1nc2ccccc2s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691803 1099824165 /nfs/dbraw/zinc/82/41/65/1099824165.db2.gz QEPKUATUQSQHRB-HKUYNNGSSA-N 2 1 365.546 4.339 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693185 1099824890 /nfs/dbraw/zinc/82/48/90/1099824890.db2.gz AFNKZPUQHSWWJZ-HBFSDRIKSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508703604 1099857375 /nfs/dbraw/zinc/85/73/75/1099857375.db2.gz ZACGRANPGKTFFA-HBUYNFGHSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H](Nc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715204 1099885949 /nfs/dbraw/zinc/88/59/49/1099885949.db2.gz XGUFJMUWVPPYFR-SIKLNZKXSA-N 2 1 351.538 4.113 20 0 FIADMP Cc1ccc(C[NH+](C)C)cc1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708803 1099887627 /nfs/dbraw/zinc/88/76/27/1099887627.db2.gz DVUPAKPBNYOWIJ-DENIHFKCSA-N 2 1 351.538 4.379 20 0 FIADMP Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708806 1099888975 /nfs/dbraw/zinc/88/89/75/1099888975.db2.gz DVUPAKPBNYOWIJ-UGKGYDQZSA-N 2 1 351.538 4.379 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709835 1099899928 /nfs/dbraw/zinc/89/99/28/1099899928.db2.gz JWNLOLYUTWNSMH-ZNEWLNCYSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000508712290 1099904145 /nfs/dbraw/zinc/90/41/45/1099904145.db2.gz QLRNQJPADKUIMM-ZFGGDYGUSA-N 2 1 366.549 4.340 20 0 FIADMP CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000455644598 1099910260 /nfs/dbraw/zinc/91/02/60/1099910260.db2.gz PUKDGOSUDHHDFG-UHFFFAOYSA-N 2 1 371.529 4.009 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723168 1099943137 /nfs/dbraw/zinc/94/31/37/1099943137.db2.gz VHPAPWKLYIFFAW-MDNUFGMLSA-N 2 1 363.549 4.013 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4sccc43)CC2)oc1C ZINC000162767073 1099996021 /nfs/dbraw/zinc/99/60/21/1099996021.db2.gz YBWXSJYZENPNGG-GOSISDBHSA-N 2 1 359.539 4.232 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)CC2)oc1C ZINC000162777146 1099997751 /nfs/dbraw/zinc/99/77/51/1099997751.db2.gz QGTHZDVXLOFNMF-HXUWFJFHSA-N 2 1 373.928 4.434 20 0 FIADMP CCOc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC(F)F ZINC000536652204 1100105374 /nfs/dbraw/zinc/10/53/74/1100105374.db2.gz NKGXNFSPJZEHLA-UHFFFAOYSA-N 2 1 370.484 4.239 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Sc1ccc(Br)cc1 ZINC000459404376 1100112641 /nfs/dbraw/zinc/11/26/41/1100112641.db2.gz RADYVLKAGCLUIZ-CYBMUJFWSA-N 2 1 369.372 4.146 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(C)c1OC(F)F ZINC000536659453 1100116655 /nfs/dbraw/zinc/11/66/55/1100116655.db2.gz FFXVGPZSFLMDEG-GOSISDBHSA-N 2 1 352.469 4.355 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(C)c1OC(F)F ZINC000536659453 1100116667 /nfs/dbraw/zinc/11/66/67/1100116667.db2.gz FFXVGPZSFLMDEG-GOSISDBHSA-N 2 1 352.469 4.355 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)CCO1 ZINC000459394793 1100119364 /nfs/dbraw/zinc/11/93/64/1100119364.db2.gz OSIGBVOFBHGNCY-GOSISDBHSA-N 2 1 350.506 4.075 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)CCO1 ZINC000459394793 1100119375 /nfs/dbraw/zinc/11/93/75/1100119375.db2.gz OSIGBVOFBHGNCY-GOSISDBHSA-N 2 1 350.506 4.075 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459438144 1100193439 /nfs/dbraw/zinc/19/34/39/1100193439.db2.gz ZTYHTPVGJWIEHD-OYNPSCLESA-N 2 1 362.583 4.035 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000379625510 1100222212 /nfs/dbraw/zinc/22/22/12/1100222212.db2.gz FTKGDRYMPCTUHC-ZWKOTPCHSA-N 2 1 356.510 4.265 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC ZINC000379622230 1100222905 /nfs/dbraw/zinc/22/29/05/1100222905.db2.gz GJFYEUBHJMBWOK-GHTZIAJQSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC ZINC000379622230 1100222912 /nfs/dbraw/zinc/22/29/12/1100222912.db2.gz GJFYEUBHJMBWOK-GHTZIAJQSA-N 2 1 368.521 4.237 20 0 FIADMP COCc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536709570 1100226140 /nfs/dbraw/zinc/22/61/40/1100226140.db2.gz DRUCILIESFOJSD-UHFFFAOYSA-N 2 1 364.533 4.321 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425911988 1100232510 /nfs/dbraw/zinc/23/25/10/1100232510.db2.gz CTWAKFUBJSKWHD-OAQYLSRUSA-N 2 1 357.929 4.483 20 0 FIADMP C[N@H+](CCc1ccc(F)c(F)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724397 1100247806 /nfs/dbraw/zinc/24/78/06/1100247806.db2.gz JUAXFDCSFMGWMV-UHFFFAOYSA-N 2 1 359.464 4.141 20 0 FIADMP c1ccc(C[NH+]2CCC([C@H]3CCCCC[N@@H+]3C[C@H]3CCOC3)CC2)cc1 ZINC000459517862 1100256438 /nfs/dbraw/zinc/25/64/38/1100256438.db2.gz GDGSFNVTLKZODY-FYYLOGMGSA-N 2 1 356.554 4.180 20 0 FIADMP COCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000459534329 1100285309 /nfs/dbraw/zinc/28/53/09/1100285309.db2.gz ZFFPZTBAXHYKDE-SFHVURJKSA-N 2 1 357.325 4.287 20 0 FIADMP Cc1nc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459539951 1100288784 /nfs/dbraw/zinc/28/87/84/1100288784.db2.gz XGAIEMREJRFACJ-OAQYLSRUSA-N 2 1 368.525 4.035 20 0 FIADMP Cc1nc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459539951 1100288795 /nfs/dbraw/zinc/28/87/95/1100288795.db2.gz XGAIEMREJRFACJ-OAQYLSRUSA-N 2 1 368.525 4.035 20 0 FIADMP C[N@@H+](CCCCCOc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437988262 1100338474 /nfs/dbraw/zinc/33/84/74/1100338474.db2.gz RDPGSJGGRJNFKT-UHFFFAOYSA-N 2 1 367.537 4.479 20 0 FIADMP C[N@H+](Cc1cc2c(cccc2F)[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437985659 1100351330 /nfs/dbraw/zinc/35/13/30/1100351330.db2.gz KOIYOLBKELYIPH-UHFFFAOYSA-N 2 1 352.457 4.050 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000536847763 1100359395 /nfs/dbraw/zinc/35/93/95/1100359395.db2.gz WSZGXAUKEDUZDY-CVDCTZTESA-N 2 1 374.532 4.181 20 0 FIADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000536857370 1100373898 /nfs/dbraw/zinc/37/38/98/1100373898.db2.gz KRHDUQSVVQIWON-IBGZPJMESA-N 2 1 367.537 4.342 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)[C@@H](C)C1 ZINC000536876136 1100397704 /nfs/dbraw/zinc/39/77/04/1100397704.db2.gz LGUGFNDEQPRUMF-CVDCTZTESA-N 2 1 352.522 4.128 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCCOc2ccccc2)cc1F ZINC000438205529 1100509648 /nfs/dbraw/zinc/50/96/48/1100509648.db2.gz WOBGEYLTDWTTSX-UHFFFAOYSA-N 2 1 353.441 4.269 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218632 1100516188 /nfs/dbraw/zinc/51/61/88/1100516188.db2.gz VXCRERPKWVLTMU-FHWLQOOXSA-N 2 1 372.475 4.407 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218632 1100516199 /nfs/dbraw/zinc/51/61/99/1100516199.db2.gz VXCRERPKWVLTMU-FHWLQOOXSA-N 2 1 372.475 4.407 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426025590 1100685351 /nfs/dbraw/zinc/68/53/51/1100685351.db2.gz XIHHRLGZCXAWTB-HRAATJIYSA-N 2 1 368.912 4.450 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000426036151 1100694346 /nfs/dbraw/zinc/69/43/46/1100694346.db2.gz OYKBQPWVKCRGTB-COPCDDAFSA-N 2 1 364.533 4.195 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000426036151 1100694351 /nfs/dbraw/zinc/69/43/51/1100694351.db2.gz OYKBQPWVKCRGTB-COPCDDAFSA-N 2 1 364.533 4.195 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1)C1CC1 ZINC000438563673 1100751408 /nfs/dbraw/zinc/75/14/08/1100751408.db2.gz WOPXPQNWRIGUOA-UHFFFAOYSA-N 2 1 365.521 4.027 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC000426062575 1100754681 /nfs/dbraw/zinc/75/46/81/1100754681.db2.gz XZCGMDFJLSWASW-JXFKEZNVSA-N 2 1 361.489 4.397 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506323925 1100863886 /nfs/dbraw/zinc/86/38/86/1100863886.db2.gz FJQZKHWKYYBFOF-UHFFFAOYSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506323925 1100863894 /nfs/dbraw/zinc/86/38/94/1100863894.db2.gz FJQZKHWKYYBFOF-UHFFFAOYSA-N 2 1 368.949 4.442 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](C2CCCCC2)CC1 ZINC000506378410 1100942802 /nfs/dbraw/zinc/94/28/02/1100942802.db2.gz DJMHJWGLPJMECR-UHFFFAOYSA-N 2 1 357.586 4.095 20 0 FIADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000518267277 1101051523 /nfs/dbraw/zinc/05/15/23/1101051523.db2.gz GYWIVADZCKWVOJ-RTBURBONSA-N 2 1 368.569 4.006 20 0 FIADMP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1Cl ZINC000508624302 1101310071 /nfs/dbraw/zinc/31/00/71/1101310071.db2.gz UTQQGSHDSAVWNV-ZDUSSCGKSA-N 2 1 368.308 4.190 20 0 FIADMP COc1cc(Cl)c(CN2CCC[C@@H](Cc3nccn3C)C2)cc1Cl ZINC000508624302 1101310085 /nfs/dbraw/zinc/31/00/85/1101310085.db2.gz UTQQGSHDSAVWNV-ZDUSSCGKSA-N 2 1 368.308 4.190 20 0 FIADMP C[NH+](C)CC1(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CCC1 ZINC000439317551 1101329333 /nfs/dbraw/zinc/32/93/33/1101329333.db2.gz ALLNQJTUNZTPIH-UHFFFAOYSA-N 2 1 372.557 4.057 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H]1OCCc2sccc21 ZINC000426348255 1101330063 /nfs/dbraw/zinc/33/00/63/1101330063.db2.gz YLGKHZZRXGAWQM-IIZJSDIPSA-N 2 1 362.583 4.383 20 0 FIADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964322 1101347891 /nfs/dbraw/zinc/34/78/91/1101347891.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964322 1101347905 /nfs/dbraw/zinc/34/79/05/1101347905.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964322 1101347919 /nfs/dbraw/zinc/34/79/19/1101347919.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964322 1101347933 /nfs/dbraw/zinc/34/79/33/1101347933.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964322 1101347947 /nfs/dbraw/zinc/34/79/47/1101347947.db2.gz OXLPUZDLYCQICJ-DWMSJXBZSA-N 2 1 367.581 4.035 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000459798847 1101389809 /nfs/dbraw/zinc/38/98/09/1101389809.db2.gz YCJMGZQJVDDEFX-NXVRBGIVSA-N 2 1 351.332 4.017 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCC(C)C ZINC000537108126 1101475619 /nfs/dbraw/zinc/47/56/19/1101475619.db2.gz DCOYETOKMWLZEX-QGZVFWFLSA-N 2 1 360.542 4.255 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000537309145 1101634794 /nfs/dbraw/zinc/63/47/94/1101634794.db2.gz SSPULXNDHKLECZ-BEVDRBHNSA-N 2 1 356.510 4.024 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[N@H+]1C ZINC000537310128 1101639910 /nfs/dbraw/zinc/63/99/10/1101639910.db2.gz CYCANGWTQJOFAC-WMZOPIPTSA-N 2 1 366.534 4.173 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4ccccc4C3)CC2)oc1C ZINC000648445356 1101680711 /nfs/dbraw/zinc/68/07/11/1101680711.db2.gz JRGHJMQFYPDMCL-JOCHJYFZSA-N 2 1 367.537 4.041 20 0 FIADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000537355722 1101690861 /nfs/dbraw/zinc/69/08/61/1101690861.db2.gz AXWRGEDXWCASDF-ZJOUEHCJSA-N 2 1 352.522 4.130 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000537448159 1101791772 /nfs/dbraw/zinc/79/17/72/1101791772.db2.gz JLEFQVUEDDCZJU-HNNXBMFYSA-N 2 1 361.445 4.249 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131444 1101970661 /nfs/dbraw/zinc/97/06/61/1101970661.db2.gz JSDIMCHOSGUVEE-LVCYWYKZSA-N 2 1 366.505 4.019 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131444 1101970665 /nfs/dbraw/zinc/97/06/65/1101970665.db2.gz JSDIMCHOSGUVEE-LVCYWYKZSA-N 2 1 366.505 4.019 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168183357 1102083239 /nfs/dbraw/zinc/08/32/39/1102083239.db2.gz PRBVIPKZWMSDIA-VQIMIIECSA-N 2 1 364.961 4.283 20 0 FIADMP Cc1ccc2c(ccc(C)c2C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC001168284808 1102159219 /nfs/dbraw/zinc/15/92/19/1102159219.db2.gz NUGWBBOJSAKTFP-WWPVKYPJSA-N 2 1 352.522 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000060978681 1102180383 /nfs/dbraw/zinc/18/03/83/1102180383.db2.gz FTMQXHABNVDSQX-HDICACEKSA-N 2 1 374.960 4.042 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000060978681 1102180389 /nfs/dbraw/zinc/18/03/89/1102180389.db2.gz FTMQXHABNVDSQX-HDICACEKSA-N 2 1 374.960 4.042 20 0 FIADMP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167967075 1102271886 /nfs/dbraw/zinc/27/18/86/1102271886.db2.gz ARTNDQSRKCLWAE-AGUYFDCRSA-N 2 1 355.345 4.006 20 0 FIADMP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167967075 1102271898 /nfs/dbraw/zinc/27/18/98/1102271898.db2.gz ARTNDQSRKCLWAE-AGUYFDCRSA-N 2 1 355.345 4.006 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000532451807 1102344901 /nfs/dbraw/zinc/34/49/01/1102344901.db2.gz DPFZSZWLOCPYRP-SFHVURJKSA-N 2 1 369.322 4.286 20 0 FIADMP CC[NH+]1CCC(N[C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000532460823 1102367388 /nfs/dbraw/zinc/36/73/88/1102367388.db2.gz KKGIBCNYMGIVLK-HNNXBMFYSA-N 2 1 355.345 4.060 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000532460823 1102367401 /nfs/dbraw/zinc/36/74/01/1102367401.db2.gz KKGIBCNYMGIVLK-HNNXBMFYSA-N 2 1 355.345 4.060 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cccc(Br)c2)[C@H](C)C1 ZINC000537635826 1102383204 /nfs/dbraw/zinc/38/32/04/1102383204.db2.gz ZDQLHQXDHLTUPY-RKVPGOIHSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2cccc(Br)c2)[C@H](C)C1 ZINC000537635826 1102383219 /nfs/dbraw/zinc/38/32/19/1102383219.db2.gz ZDQLHQXDHLTUPY-RKVPGOIHSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2cccc(Br)c2)[C@H](C)C1 ZINC000537635826 1102383231 /nfs/dbraw/zinc/38/32/31/1102383231.db2.gz ZDQLHQXDHLTUPY-RKVPGOIHSA-N 2 1 353.348 4.215 20 0 FIADMP COC(=O)c1ccc(C[N@@H+](C2CCC(C)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001168205731 1102469429 /nfs/dbraw/zinc/46/94/29/1102469429.db2.gz KUIYBAMWXNBMJP-BXQDZUEOSA-N 2 1 358.526 4.124 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2=Cc4ccccc4OC2)C3)cc1 ZINC000111391478 1102534576 /nfs/dbraw/zinc/53/45/76/1102534576.db2.gz SOHCCDRLOFYWAV-NOTZXAQLSA-N 2 1 360.501 4.248 20 0 FIADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001167974397 1102546807 /nfs/dbraw/zinc/54/68/07/1102546807.db2.gz ZEJBCMUKUROUKF-NOTZXAQLSA-N 2 1 359.602 4.026 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2sc(C(C)C)nc2C)[C@H](C)C1 ZINC000122253939 1102552101 /nfs/dbraw/zinc/55/21/01/1102552101.db2.gz QQYWSAHJQLCONK-RYRKJORJSA-N 2 1 367.603 4.363 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2sc(C(C)C)nc2C)[C@H](C)C1 ZINC000122253939 1102552103 /nfs/dbraw/zinc/55/21/03/1102552103.db2.gz QQYWSAHJQLCONK-RYRKJORJSA-N 2 1 367.603 4.363 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782523 1102563278 /nfs/dbraw/zinc/56/32/78/1102563278.db2.gz STNWOJGYJQFMSN-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782523 1102563281 /nfs/dbraw/zinc/56/32/81/1102563281.db2.gz STNWOJGYJQFMSN-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782523 1102563290 /nfs/dbraw/zinc/56/32/90/1102563290.db2.gz STNWOJGYJQFMSN-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303782523 1102563296 /nfs/dbraw/zinc/56/32/96/1102563296.db2.gz STNWOJGYJQFMSN-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP Fc1cccc(-n2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000064556932 1102601999 /nfs/dbraw/zinc/60/19/99/1102601999.db2.gz XCRKATDHCFVIEE-UHFFFAOYSA-N 2 1 370.516 4.099 20 0 FIADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123566891 1102629261 /nfs/dbraw/zinc/62/92/61/1102629261.db2.gz NTTFGWOYGAMTCL-DLBZAZTESA-N 2 1 350.466 4.091 20 0 FIADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123566891 1102629265 /nfs/dbraw/zinc/62/92/65/1102629265.db2.gz NTTFGWOYGAMTCL-DLBZAZTESA-N 2 1 350.466 4.091 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881687 1102651409 /nfs/dbraw/zinc/65/14/09/1102651409.db2.gz BDYZAMNLLFVBIF-REWPJTCUSA-N 2 1 364.533 4.266 20 0 FIADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc2ccccc12 ZINC000532641854 1102657794 /nfs/dbraw/zinc/65/77/94/1102657794.db2.gz QTKWDLYYKFOQEB-GOSISDBHSA-N 2 1 366.553 4.415 20 0 FIADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc2ccccc12 ZINC000532641854 1102657798 /nfs/dbraw/zinc/65/77/98/1102657798.db2.gz QTKWDLYYKFOQEB-GOSISDBHSA-N 2 1 366.553 4.415 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887727 1102658357 /nfs/dbraw/zinc/65/83/57/1102658357.db2.gz ZFQBEMGUCRXEAO-AZUAARDMSA-N 2 1 370.562 4.328 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccn1 ZINC000550886012 1102658830 /nfs/dbraw/zinc/65/88/30/1102658830.db2.gz AWFJFXYFTZUTET-ZWKOTPCHSA-N 2 1 353.510 4.315 20 0 FIADMP CCc1cnc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664836916 1102702061 /nfs/dbraw/zinc/70/20/61/1102702061.db2.gz SCNUWVBHNASFRT-JOCHJYFZSA-N 2 1 367.537 4.360 20 0 FIADMP CCc1cnc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664836916 1102702073 /nfs/dbraw/zinc/70/20/73/1102702073.db2.gz SCNUWVBHNASFRT-JOCHJYFZSA-N 2 1 367.537 4.360 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000550933648 1102713257 /nfs/dbraw/zinc/71/32/57/1102713257.db2.gz ULJKCPSYMXCONZ-AZUAARDMSA-N 2 1 358.913 4.316 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000550933648 1102713264 /nfs/dbraw/zinc/71/32/64/1102713264.db2.gz ULJKCPSYMXCONZ-AZUAARDMSA-N 2 1 358.913 4.316 20 0 FIADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007039 1102758783 /nfs/dbraw/zinc/75/87/83/1102758783.db2.gz CJCMUSGMYRALRJ-YADHBBJMSA-N 2 1 365.521 4.350 20 0 FIADMP CC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660921 1102786644 /nfs/dbraw/zinc/78/66/44/1102786644.db2.gz KATVLOPCKVHCEJ-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1cccc(-n2cccn2)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660921 1102786655 /nfs/dbraw/zinc/78/66/55/1102786655.db2.gz KATVLOPCKVHCEJ-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1cccc(-n2cccn2)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660921 1102786667 /nfs/dbraw/zinc/78/66/67/1102786667.db2.gz KATVLOPCKVHCEJ-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000551051621 1102865041 /nfs/dbraw/zinc/86/50/41/1102865041.db2.gz TWCMQKAGWNNRLS-CYBMUJFWSA-N 2 1 354.317 4.073 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C[C@H]1c1ccccc1 ZINC000551052283 1102866750 /nfs/dbraw/zinc/86/67/50/1102866750.db2.gz ZOATZPOLEZCGDM-XJUOHMSHSA-N 2 1 367.512 4.220 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C[C@H]1c1ccccc1 ZINC000551052283 1102866769 /nfs/dbraw/zinc/86/67/69/1102866769.db2.gz ZOATZPOLEZCGDM-XJUOHMSHSA-N 2 1 367.512 4.220 20 0 FIADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269991 1102894546 /nfs/dbraw/zinc/89/45/46/1102894546.db2.gz DSIXPJMPYNOAPN-PUHATCMVSA-N 2 1 370.581 4.331 20 0 FIADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000551092533 1102911377 /nfs/dbraw/zinc/91/13/77/1102911377.db2.gz IEXXUYGNSWDLIT-HSZRJFAPSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000551092533 1102911384 /nfs/dbraw/zinc/91/13/84/1102911384.db2.gz IEXXUYGNSWDLIT-HSZRJFAPSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000551092533 1102911386 /nfs/dbraw/zinc/91/13/86/1102911386.db2.gz IEXXUYGNSWDLIT-HSZRJFAPSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000551092533 1102911392 /nfs/dbraw/zinc/91/13/92/1102911392.db2.gz IEXXUYGNSWDLIT-HSZRJFAPSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000551092533 1102911395 /nfs/dbraw/zinc/91/13/95/1102911395.db2.gz IEXXUYGNSWDLIT-HSZRJFAPSA-N 2 1 357.586 4.093 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551196415 1102974621 /nfs/dbraw/zinc/97/46/21/1102974621.db2.gz AIJRLKRRIFOTDT-UEVCKROQSA-N 2 1 352.522 4.407 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551196415 1102974627 /nfs/dbraw/zinc/97/46/27/1102974627.db2.gz AIJRLKRRIFOTDT-UEVCKROQSA-N 2 1 352.522 4.407 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)c1OC ZINC000551201597 1102976347 /nfs/dbraw/zinc/97/63/47/1102976347.db2.gz WIOMNQHHLZGSPL-FBBABVLZSA-N 2 1 368.521 4.498 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)c1OC ZINC000551201597 1102976350 /nfs/dbraw/zinc/97/63/50/1102976350.db2.gz WIOMNQHHLZGSPL-FBBABVLZSA-N 2 1 368.521 4.498 20 0 FIADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1O ZINC000459378915 1103037354 /nfs/dbraw/zinc/03/73/54/1103037354.db2.gz RTVURDLTDYZWBW-SFHVURJKSA-N 2 1 368.521 4.455 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507459367 1103404312 /nfs/dbraw/zinc/40/43/12/1103404312.db2.gz FUGPYZVKESFTKZ-BGWNEDDSSA-N 2 1 359.517 4.211 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000507484041 1103431458 /nfs/dbraw/zinc/43/14/58/1103431458.db2.gz IRXKAQYCTOCPCH-FWKCKQQBSA-N 2 1 356.554 4.080 20 0 FIADMP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(-c2ccccc2)o1 ZINC000507515889 1103441852 /nfs/dbraw/zinc/44/18/52/1103441852.db2.gz VQHFGHLEQOIJFE-BDTNDASRSA-N 2 1 373.500 4.342 20 0 FIADMP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(-c2ccccc2)o1 ZINC000507515889 1103441855 /nfs/dbraw/zinc/44/18/55/1103441855.db2.gz VQHFGHLEQOIJFE-BDTNDASRSA-N 2 1 373.500 4.342 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ncccc3CC)CC2)cs1 ZINC000507513999 1103455342 /nfs/dbraw/zinc/45/53/42/1103455342.db2.gz SMCZQJFNIVQXSA-INIZCTEOSA-N 2 1 372.582 4.226 20 0 FIADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCS2 ZINC000427542101 1103636433 /nfs/dbraw/zinc/63/64/33/1103636433.db2.gz VBSVYMCDFFWFOV-NSHGMRRFSA-N 2 1 362.583 4.319 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCSc1ccccc1Cl ZINC000441201921 1104195579 /nfs/dbraw/zinc/19/55/79/1104195579.db2.gz FRZMIDHCFUCRDJ-KBAYOESNSA-N 2 1 368.974 4.006 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441394329 1104328191 /nfs/dbraw/zinc/32/81/91/1104328191.db2.gz OHRBHWPSYDOZFQ-SIXWZSSISA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441394329 1104328203 /nfs/dbraw/zinc/32/82/03/1104328203.db2.gz OHRBHWPSYDOZFQ-SIXWZSSISA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394329 1104328214 /nfs/dbraw/zinc/32/82/14/1104328214.db2.gz OHRBHWPSYDOZFQ-SIXWZSSISA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441394329 1104328225 /nfs/dbraw/zinc/32/82/25/1104328225.db2.gz OHRBHWPSYDOZFQ-SIXWZSSISA-N 2 1 350.453 4.298 20 0 FIADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441413467 1104339904 /nfs/dbraw/zinc/33/99/04/1104339904.db2.gz XOLSBLCUIFUXEX-YJBOKZPZSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441413467 1104339914 /nfs/dbraw/zinc/33/99/14/1104339914.db2.gz XOLSBLCUIFUXEX-YJBOKZPZSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441413467 1104339924 /nfs/dbraw/zinc/33/99/24/1104339924.db2.gz XOLSBLCUIFUXEX-YJBOKZPZSA-N 2 1 368.443 4.033 20 0 FIADMP Fc1ccccc1CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994420 1104491093 /nfs/dbraw/zinc/49/10/93/1104491093.db2.gz CXJGVCSVBBMHPL-CBQGHPETSA-N 2 1 356.529 4.486 20 0 FIADMP Fc1ccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995594 1104525618 /nfs/dbraw/zinc/52/56/18/1104525618.db2.gz KIIGHXXNIMUIIF-YOFSQIOKSA-N 2 1 358.501 4.074 20 0 FIADMP c1ccc2cc(OCC[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441425128 1104563251 /nfs/dbraw/zinc/56/32/51/1104563251.db2.gz WOHDMGVPPHCSHQ-REWPJTCUSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425128 1104563258 /nfs/dbraw/zinc/56/32/58/1104563258.db2.gz WOHDMGVPPHCSHQ-REWPJTCUSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425128 1104563266 /nfs/dbraw/zinc/56/32/66/1104563266.db2.gz WOHDMGVPPHCSHQ-REWPJTCUSA-N 2 1 350.506 4.167 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(CO)c1 ZINC000536308610 1104660594 /nfs/dbraw/zinc/66/05/94/1104660594.db2.gz OGMAVMJMVSIKEC-RBUKOAKNSA-N 2 1 352.522 4.404 20 0 FIADMP COc1cccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168003025 1104994012 /nfs/dbraw/zinc/99/40/12/1104994012.db2.gz ILCQRFFVRASRBX-SSWODZADSA-N 2 1 368.565 4.355 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OCc2ccccc2)c1 ZINC000152366407 1105035705 /nfs/dbraw/zinc/03/57/05/1105035705.db2.gz ATLUSEQOOUXYDE-ICSRJNTNSA-N 2 1 350.506 4.401 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000388829655 1105044747 /nfs/dbraw/zinc/04/47/47/1105044747.db2.gz WZJIUXFKGGPFMS-ABSDTBQOSA-N 2 1 356.485 4.396 20 0 FIADMP CC(C)c1noc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000536487165 1105167090 /nfs/dbraw/zinc/16/70/90/1105167090.db2.gz XNCZQGZBXVRCFZ-SFHVURJKSA-N 2 1 368.525 4.242 20 0 FIADMP CC(C)c1noc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000536487165 1105167097 /nfs/dbraw/zinc/16/70/97/1105167097.db2.gz XNCZQGZBXVRCFZ-SFHVURJKSA-N 2 1 368.525 4.242 20 0 FIADMP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168008170 1105171101 /nfs/dbraw/zinc/17/11/01/1105171101.db2.gz CYAGCHROUWFXSQ-JHDGKUDLSA-N 3 1 357.586 4.138 20 0 FIADMP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168008170 1105171105 /nfs/dbraw/zinc/17/11/05/1105171105.db2.gz CYAGCHROUWFXSQ-JHDGKUDLSA-N 2 1 357.586 4.138 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C2CCC2)cc1 ZINC000427721591 1105258307 /nfs/dbraw/zinc/25/83/07/1105258307.db2.gz IOFQWIAXCUMMSA-QFIPXVFZSA-N 2 1 356.554 4.461 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168010720 1105301842 /nfs/dbraw/zinc/30/18/42/1105301842.db2.gz KTTOWCAFOUVVKR-FEJSZKPUSA-N 2 1 365.521 4.176 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168010720 1105301849 /nfs/dbraw/zinc/30/18/49/1105301849.db2.gz KTTOWCAFOUVVKR-FEJSZKPUSA-N 2 1 365.521 4.176 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168010721 1105302355 /nfs/dbraw/zinc/30/23/55/1105302355.db2.gz KTTOWCAFOUVVKR-QZTJIDSGSA-N 2 1 365.521 4.176 20 0 FIADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2([NH3+])CCCC2)CCC3)cc1 ZINC000665248890 1105308408 /nfs/dbraw/zinc/30/84/08/1105308408.db2.gz FIBRAVFRSPJUCA-INIZCTEOSA-N 2 1 357.523 4.057 20 0 FIADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000474024437 1105349025 /nfs/dbraw/zinc/34/90/25/1105349025.db2.gz PUHAFKGHMGDFDI-OAQYLSRUSA-N 2 1 365.521 4.380 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000390907532 1106775481 /nfs/dbraw/zinc/77/54/81/1106775481.db2.gz SUUNGXJXMHMJKJ-IHWFROFDSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000390907532 1106775488 /nfs/dbraw/zinc/77/54/88/1106775488.db2.gz SUUNGXJXMHMJKJ-IHWFROFDSA-N 2 1 354.469 4.120 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C2CCC2)C2CCOCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063965 1106828803 /nfs/dbraw/zinc/82/88/03/1106828803.db2.gz FUXVMSGHXOBFND-BBIADKPPSA-N 2 1 356.554 4.462 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C2CCC2)C2CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063965 1106828819 /nfs/dbraw/zinc/82/88/19/1106828819.db2.gz FUXVMSGHXOBFND-BBIADKPPSA-N 2 1 356.554 4.462 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C2CCC2)C2CCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063965 1106828836 /nfs/dbraw/zinc/82/88/36/1106828836.db2.gz FUXVMSGHXOBFND-BBIADKPPSA-N 2 1 356.554 4.462 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C2CCC2)C2CCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063965 1106828848 /nfs/dbraw/zinc/82/88/48/1106828848.db2.gz FUXVMSGHXOBFND-BBIADKPPSA-N 2 1 356.554 4.462 20 0 FIADMP C[C@@H]1CC([N@H+]2CCC[C@@H]2c2cnccn2)C[C@@H](C)N1Cc1ccccc1 ZINC001168065258 1106902738 /nfs/dbraw/zinc/90/27/38/1106902738.db2.gz VFHJIHIGCNZTAS-JBYIUTFZSA-N 2 1 350.510 4.055 20 0 FIADMP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c4ccc(C)cc34)CC2)oc1C ZINC000302140971 1107314800 /nfs/dbraw/zinc/31/48/00/1107314800.db2.gz DWJADMNZSJOXOO-UHFFFAOYSA-N 2 1 364.493 4.472 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000530914430 1107409467 /nfs/dbraw/zinc/40/94/67/1107409467.db2.gz DOXMNDXFDOPWFH-MOPGFXCFSA-N 2 1 374.960 4.164 20 0 FIADMP C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000392687747 1107420568 /nfs/dbraw/zinc/42/05/68/1107420568.db2.gz IKSLLGTVKIESFP-YIONKMFJSA-N 2 1 366.349 4.439 20 0 FIADMP C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000392687747 1107420574 /nfs/dbraw/zinc/42/05/74/1107420574.db2.gz IKSLLGTVKIESFP-YIONKMFJSA-N 2 1 366.349 4.439 20 0 FIADMP FC(F)(F)C[C@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689653 1108092628 /nfs/dbraw/zinc/09/26/28/1108092628.db2.gz GPEXYPOOJRBXIA-YZRRVPADSA-N 2 1 358.370 4.091 20 0 FIADMP FC(F)(F)C[C@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689653 1108092613 /nfs/dbraw/zinc/09/26/13/1108092613.db2.gz GPEXYPOOJRBXIA-YZRRVPADSA-N 2 1 358.370 4.091 20 0 FIADMP FC(F)(F)C[C@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689653 1108092644 /nfs/dbraw/zinc/09/26/44/1108092644.db2.gz GPEXYPOOJRBXIA-YZRRVPADSA-N 2 1 358.370 4.091 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000453055369 1108130644 /nfs/dbraw/zinc/13/06/44/1108130644.db2.gz AUMCIHUAZBHRFL-SFHVURJKSA-N 2 1 357.567 4.045 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3csc(C)c3)cc2)CC1 ZINC000453060254 1108137518 /nfs/dbraw/zinc/13/75/18/1108137518.db2.gz JPSNATYXRQSTSV-SFHVURJKSA-N 2 1 357.567 4.045 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062875 1108141283 /nfs/dbraw/zinc/14/12/83/1108141283.db2.gz QVGIAVYCTOMAGW-XLIONFOSSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062875 1108141288 /nfs/dbraw/zinc/14/12/88/1108141288.db2.gz QVGIAVYCTOMAGW-XLIONFOSSA-N 2 1 374.960 4.407 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453163989 1108234440 /nfs/dbraw/zinc/23/44/40/1108234440.db2.gz FBTIXGOJYUNDBX-VSKRKVRLSA-N 2 1 356.554 4.226 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453163985 1108234895 /nfs/dbraw/zinc/23/48/95/1108234895.db2.gz FBTIXGOJYUNDBX-BDTNDASRSA-N 2 1 356.554 4.226 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453211784 1108282777 /nfs/dbraw/zinc/28/27/77/1108282777.db2.gz OCNRMGNRMQWWOB-RCCFBDPRSA-N 2 1 352.444 4.362 20 0 FIADMP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213570 1108282929 /nfs/dbraw/zinc/28/29/29/1108282929.db2.gz APFMPANFOGJRHN-GOTSBHOMSA-N 2 1 370.581 4.474 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453250520 1108324100 /nfs/dbraw/zinc/32/41/00/1108324100.db2.gz ZFJLIPRCLBNTNL-QIJUGHKUSA-N 2 1 353.510 4.078 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453250520 1108324115 /nfs/dbraw/zinc/32/41/15/1108324115.db2.gz ZFJLIPRCLBNTNL-QIJUGHKUSA-N 2 1 353.510 4.078 20 0 FIADMP CCn1ccnc1C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453303753 1108391655 /nfs/dbraw/zinc/39/16/55/1108391655.db2.gz ARWJFDWMJSHNLJ-NRFANRHFSA-N 2 1 372.532 4.385 20 0 FIADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453310466 1108397209 /nfs/dbraw/zinc/39/72/09/1108397209.db2.gz QTUGEHDIVYSSFK-VAMGGRTRSA-N 2 1 355.551 4.027 20 0 FIADMP FCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000453316457 1108406311 /nfs/dbraw/zinc/40/63/11/1108406311.db2.gz WVOFXCWRWJQXOW-FDFHNCONSA-N 2 1 374.544 4.033 20 0 FIADMP CO[C@@](C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319426 1108408194 /nfs/dbraw/zinc/40/81/94/1108408194.db2.gz KUDADVQDLHAFNJ-XQUALCHDSA-N 2 1 364.533 4.333 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000531936104 1108409573 /nfs/dbraw/zinc/40/95/73/1108409573.db2.gz CMRLWPBPUARYKA-RBUKOAKNSA-N 2 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000531936104 1108409580 /nfs/dbraw/zinc/40/95/80/1108409580.db2.gz CMRLWPBPUARYKA-RBUKOAKNSA-N 3 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000531936104 1108409590 /nfs/dbraw/zinc/40/95/90/1108409590.db2.gz CMRLWPBPUARYKA-RBUKOAKNSA-N 3 1 354.542 4.486 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000531945045 1108424021 /nfs/dbraw/zinc/42/40/21/1108424021.db2.gz GRYPFSFUBXYHOL-UGKGYDQZSA-N 2 1 352.522 4.046 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000531945045 1108424041 /nfs/dbraw/zinc/42/40/41/1108424041.db2.gz GRYPFSFUBXYHOL-UGKGYDQZSA-N 2 1 352.522 4.046 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000453360461 1108465608 /nfs/dbraw/zinc/46/56/08/1108465608.db2.gz FMCGADVQVQKBCM-HMXCVIKNSA-N 2 1 353.510 4.017 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000453360461 1108465617 /nfs/dbraw/zinc/46/56/17/1108465617.db2.gz FMCGADVQVQKBCM-HMXCVIKNSA-N 2 1 353.510 4.017 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969859 1108476032 /nfs/dbraw/zinc/47/60/32/1108476032.db2.gz LUVOPMMAOJRKDJ-LGVFNWMJSA-N 3 1 371.613 4.040 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969859 1108476040 /nfs/dbraw/zinc/47/60/40/1108476040.db2.gz LUVOPMMAOJRKDJ-LGVFNWMJSA-N 2 1 371.613 4.040 20 0 FIADMP c1ccc([C@@H](CC2CC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000532188750 1108698169 /nfs/dbraw/zinc/69/81/69/1108698169.db2.gz KACLXHBBTSBFOB-HSZRJFAPSA-N 2 1 350.506 4.150 20 0 FIADMP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CCCC2)cc1C ZINC000532249245 1108727895 /nfs/dbraw/zinc/72/78/95/1108727895.db2.gz ROTPBWMSZQUJSY-SFHLNBCPSA-N 2 1 371.569 4.121 20 0 FIADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000524753184 1109138172 /nfs/dbraw/zinc/13/81/72/1109138172.db2.gz ZQQGRKUAHJOGBV-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000524753184 1109138176 /nfs/dbraw/zinc/13/81/76/1109138176.db2.gz ZQQGRKUAHJOGBV-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000524753184 1109138180 /nfs/dbraw/zinc/13/81/80/1109138180.db2.gz ZQQGRKUAHJOGBV-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1cccc(F)c1 ZINC000446743358 1109326544 /nfs/dbraw/zinc/32/65/44/1109326544.db2.gz FFGMDYGHYNITDU-QHCPKHFHSA-N 2 1 369.528 4.204 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835789 1109356044 /nfs/dbraw/zinc/35/60/44/1109356044.db2.gz QLHSPOKCKRRKEO-JTSKRJEESA-N 2 1 366.530 4.189 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835789 1109356048 /nfs/dbraw/zinc/35/60/48/1109356048.db2.gz QLHSPOKCKRRKEO-JTSKRJEESA-N 2 1 366.530 4.189 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000525404258 1109373871 /nfs/dbraw/zinc/37/38/71/1109373871.db2.gz WOZNIGONBZAQHE-UHFFFAOYSA-N 2 1 374.960 4.167 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697387 1109481882 /nfs/dbraw/zinc/48/18/82/1109481882.db2.gz RPVFLROBUOATGO-WIYYLYMNSA-N 2 1 354.519 4.197 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697387 1109481885 /nfs/dbraw/zinc/48/18/85/1109481885.db2.gz RPVFLROBUOATGO-WIYYLYMNSA-N 2 1 354.519 4.197 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447352059 1109521891 /nfs/dbraw/zinc/52/18/91/1109521891.db2.gz WGIJQUODYNZDHY-UHFFFAOYSA-N 2 1 352.309 4.224 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000525821489 1109526153 /nfs/dbraw/zinc/52/61/53/1109526153.db2.gz NLXZTXZPHGHKFV-UHFFFAOYSA-N 2 1 359.341 4.316 20 0 FIADMP CCCCn1cc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)n1 ZINC000447573972 1109578683 /nfs/dbraw/zinc/57/86/83/1109578683.db2.gz KDEWXYSUDDQTFV-WBDAEOGXSA-N 2 1 366.553 4.277 20 0 FIADMP CCCCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)n1 ZINC000447573972 1109578687 /nfs/dbraw/zinc/57/86/87/1109578687.db2.gz KDEWXYSUDDQTFV-WBDAEOGXSA-N 2 1 366.553 4.277 20 0 FIADMP CCCCn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)n1 ZINC000447573972 1109578692 /nfs/dbraw/zinc/57/86/92/1109578692.db2.gz KDEWXYSUDDQTFV-WBDAEOGXSA-N 2 1 366.553 4.277 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000527932542 1109870185 /nfs/dbraw/zinc/87/01/85/1109870185.db2.gz NBCABMNWFLWMFT-MRXNPFEDSA-N 2 1 374.495 4.255 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000449120193 1109980509 /nfs/dbraw/zinc/98/05/09/1109980509.db2.gz CEMHDDQIZXHKJP-LJQANCHMSA-N 2 1 359.517 4.420 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449148530 1109985353 /nfs/dbraw/zinc/98/53/53/1109985353.db2.gz KJCVAKFGOKYGBP-SFTDATJTSA-N 2 1 362.945 4.102 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000449147840 1109985387 /nfs/dbraw/zinc/98/53/87/1109985387.db2.gz IDWMWQFOPREUCS-IBGZPJMESA-N 2 1 350.522 4.128 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4ccoc43)CC2)cs1 ZINC000449150734 1109985821 /nfs/dbraw/zinc/98/58/21/1109985821.db2.gz SUWOQTZYIRTWMP-UHFFFAOYSA-N 2 1 369.534 4.454 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343627 1110034954 /nfs/dbraw/zinc/03/49/54/1110034954.db2.gz LXEBUXIIVXIMIV-YADHBBJMSA-N 2 1 368.565 4.228 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343238 1110035055 /nfs/dbraw/zinc/03/50/55/1110035055.db2.gz IXGLJMWFHLZNFB-PKTZIBPZSA-N 2 1 370.581 4.474 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449436841 1110077978 /nfs/dbraw/zinc/07/79/78/1110077978.db2.gz HFDZGWKALGWCRJ-QAPCUYQASA-N 2 1 363.427 4.243 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449436841 1110077980 /nfs/dbraw/zinc/07/79/80/1110077980.db2.gz HFDZGWKALGWCRJ-QAPCUYQASA-N 2 1 363.427 4.243 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000449792188 1110172876 /nfs/dbraw/zinc/17/28/76/1110172876.db2.gz SAYGUAWDPMTLEG-YLJYHZDGSA-N 2 1 350.934 4.067 20 0 FIADMP CCCC[C@@H](CC)COCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168114436 1110220169 /nfs/dbraw/zinc/22/01/69/1110220169.db2.gz CEGZPRWHNHNKLC-QGZVFWFLSA-N 2 1 358.530 4.056 20 0 FIADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000538409817 1111130260 /nfs/dbraw/zinc/13/02/60/1111130260.db2.gz YOEJQDVRKQPKJI-JPYJTQIMSA-N 2 1 370.512 4.198 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000538498323 1111160175 /nfs/dbraw/zinc/16/01/75/1111160175.db2.gz WKUNCNNHBHQQJH-NFBKMPQASA-N 2 1 373.585 4.221 20 0 FIADMP CCC[N@@H+](Cc1sccc1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000538727366 1111265049 /nfs/dbraw/zinc/26/50/49/1111265049.db2.gz LWLUVQBJACELKV-UHFFFAOYSA-N 2 1 358.555 4.344 20 0 FIADMP CCC[N@H+](Cc1sccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538727366 1111265053 /nfs/dbraw/zinc/26/50/53/1111265053.db2.gz LWLUVQBJACELKV-UHFFFAOYSA-N 2 1 358.555 4.344 20 0 FIADMP CCC[N@@H+](Cc1sccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538727366 1111265058 /nfs/dbraw/zinc/26/50/58/1111265058.db2.gz LWLUVQBJACELKV-UHFFFAOYSA-N 2 1 358.555 4.344 20 0 FIADMP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000538730763 1111267165 /nfs/dbraw/zinc/26/71/65/1111267165.db2.gz NBJIAUTYZPOTOX-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000538730763 1111267169 /nfs/dbraw/zinc/26/71/69/1111267169.db2.gz NBJIAUTYZPOTOX-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000538730763 1111267173 /nfs/dbraw/zinc/26/71/73/1111267173.db2.gz NBJIAUTYZPOTOX-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000538730763 1111267176 /nfs/dbraw/zinc/26/71/76/1111267176.db2.gz NBJIAUTYZPOTOX-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COCc1cccc(OCC2(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)CC2)c1 ZINC000538782650 1111293487 /nfs/dbraw/zinc/29/34/87/1111293487.db2.gz XAQTZYCZCSENPE-UHFFFAOYSA-N 2 1 374.569 4.044 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797721 1111293865 /nfs/dbraw/zinc/29/38/65/1111293865.db2.gz VHVYQNDFWIECIP-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797721 1111293869 /nfs/dbraw/zinc/29/38/69/1111293869.db2.gz VHVYQNDFWIECIP-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797721 1111293873 /nfs/dbraw/zinc/29/38/73/1111293873.db2.gz VHVYQNDFWIECIP-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797721 1111293877 /nfs/dbraw/zinc/29/38/77/1111293877.db2.gz VHVYQNDFWIECIP-MAUKXSAKSA-N 2 1 367.518 4.472 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000539055826 1111402791 /nfs/dbraw/zinc/40/27/91/1111402791.db2.gz LJZRQNPFYUJXTN-RTFZILSDSA-N 2 1 360.505 4.277 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000539124223 1111443522 /nfs/dbraw/zinc/44/35/22/1111443522.db2.gz LWINTTAVNHKGAJ-JYYAWHABSA-N 2 1 358.448 4.181 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1-c1ccnn1C ZINC000552042710 1111554890 /nfs/dbraw/zinc/55/48/90/1111554890.db2.gz XTLILRZQAFXOKR-UHFFFAOYSA-N 2 1 362.521 4.171 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)c1OC ZINC000552048146 1111557487 /nfs/dbraw/zinc/55/74/87/1111557487.db2.gz IUHPFHWUMKGEEL-QGZVFWFLSA-N 2 1 360.542 4.460 20 0 FIADMP Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000552056187 1111560092 /nfs/dbraw/zinc/56/00/92/1111560092.db2.gz VWGDNNFWMGWYJE-OEMFJLHTSA-N 2 1 363.549 4.213 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552110668 1111580406 /nfs/dbraw/zinc/58/04/06/1111580406.db2.gz ZAPFDWHKJMQKNQ-VMTBQTDASA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552110668 1111580412 /nfs/dbraw/zinc/58/04/12/1111580412.db2.gz ZAPFDWHKJMQKNQ-VMTBQTDASA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552110668 1111580416 /nfs/dbraw/zinc/58/04/16/1111580416.db2.gz ZAPFDWHKJMQKNQ-VMTBQTDASA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552110668 1111580418 /nfs/dbraw/zinc/58/04/18/1111580418.db2.gz ZAPFDWHKJMQKNQ-VMTBQTDASA-N 2 1 350.453 4.109 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156934 1111596021 /nfs/dbraw/zinc/59/60/21/1111596021.db2.gz CJWDRZLQARPWLJ-YADHBBJMSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156934 1111596026 /nfs/dbraw/zinc/59/60/26/1111596026.db2.gz CJWDRZLQARPWLJ-YADHBBJMSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156934 1111596031 /nfs/dbraw/zinc/59/60/31/1111596031.db2.gz CJWDRZLQARPWLJ-YADHBBJMSA-N 2 1 354.538 4.076 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000552248323 1111628637 /nfs/dbraw/zinc/62/86/37/1111628637.db2.gz CQXVGGPMCALBHC-UHFFFAOYSA-N 3 1 369.597 4.426 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552252150 1111629865 /nfs/dbraw/zinc/62/98/65/1111629865.db2.gz DDENSGLASDGVAM-WLXPTCNVSA-N 2 1 366.549 4.277 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552246559 1111636734 /nfs/dbraw/zinc/63/67/34/1111636734.db2.gz YHLLVILXNWJGKA-SFTDATJTSA-N 2 1 364.961 4.193 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000552270912 1111644365 /nfs/dbraw/zinc/64/43/65/1111644365.db2.gz JSQFREIMHFOXRH-UHFFFAOYSA-N 2 1 365.521 4.048 20 0 FIADMP Oc1cc(F)cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000552273158 1111654361 /nfs/dbraw/zinc/65/43/61/1111654361.db2.gz VEUBWQLLNDWOQD-UHFFFAOYSA-N 2 1 354.469 4.019 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000552281685 1111658550 /nfs/dbraw/zinc/65/85/50/1111658550.db2.gz GLMOTNNRPVZVEJ-QXCFHYIPSA-N 2 1 354.460 4.465 20 0 FIADMP COc1cccc(C2([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000552326254 1111669839 /nfs/dbraw/zinc/66/98/39/1111669839.db2.gz KARYQJADAFVNEM-WIYYLYMNSA-N 2 1 350.506 4.327 20 0 FIADMP COc1cccc(C2([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000552326254 1111669847 /nfs/dbraw/zinc/66/98/47/1111669847.db2.gz KARYQJADAFVNEM-WIYYLYMNSA-N 2 1 350.506 4.327 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1COc2ccccc21 ZINC000552575966 1111748304 /nfs/dbraw/zinc/74/83/04/1111748304.db2.gz LZTKUVGBBRCYFT-GWOFKNCZSA-N 2 1 350.506 4.194 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1COc2ccccc21 ZINC000552575966 1111748307 /nfs/dbraw/zinc/74/83/07/1111748307.db2.gz LZTKUVGBBRCYFT-GWOFKNCZSA-N 2 1 350.506 4.194 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264338 1111979020 /nfs/dbraw/zinc/97/90/20/1111979020.db2.gz COCFIAOSKZLLKB-OXJNMPFZSA-N 2 1 373.338 4.470 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264338 1111979022 /nfs/dbraw/zinc/97/90/22/1111979022.db2.gz COCFIAOSKZLLKB-OXJNMPFZSA-N 2 1 373.338 4.470 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384674 1112005507 /nfs/dbraw/zinc/00/55/07/1112005507.db2.gz BWLMAXKJCAYHOX-SIKLNZKXSA-N 2 1 366.553 4.207 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479384674 1112005509 /nfs/dbraw/zinc/00/55/09/1112005509.db2.gz BWLMAXKJCAYHOX-SIKLNZKXSA-N 2 1 366.553 4.207 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)[C@@H](C)C1 ZINC000479525682 1112052700 /nfs/dbraw/zinc/05/27/00/1112052700.db2.gz IFIZLZVYNVTENJ-YSSFQJQWSA-N 2 1 350.934 4.054 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(F)cn1 ZINC000554050890 1112176240 /nfs/dbraw/zinc/17/62/40/1112176240.db2.gz XEFBGVLFIQPEHG-SJORKVTESA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(F)cn1 ZINC000554050890 1112176242 /nfs/dbraw/zinc/17/62/42/1112176242.db2.gz XEFBGVLFIQPEHG-SJORKVTESA-N 2 1 371.500 4.312 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000480024831 1112244021 /nfs/dbraw/zinc/24/40/21/1112244021.db2.gz WQOUGTHBKCALQS-CQSZACIVSA-N 2 1 358.505 4.280 20 0 FIADMP COc1cc(F)c([C@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000480167651 1112305518 /nfs/dbraw/zinc/30/55/18/1112305518.db2.gz JPKJGBPYGQPLAU-INIZCTEOSA-N 2 1 360.473 4.016 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000480173295 1112315558 /nfs/dbraw/zinc/31/55/58/1112315558.db2.gz VSDSKHSUEONXQM-KRWDZBQOSA-N 2 1 367.331 4.127 20 0 FIADMP OCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554361084 1112316944 /nfs/dbraw/zinc/31/69/44/1112316944.db2.gz QERVLTAQBHYAGL-NRFANRHFSA-N 2 1 358.913 4.018 20 0 FIADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000480231848 1112343661 /nfs/dbraw/zinc/34/36/61/1112343661.db2.gz OACUSKYLWZYGKN-NRFANRHFSA-N 2 1 368.521 4.193 20 0 FIADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000480231848 1112343665 /nfs/dbraw/zinc/34/36/65/1112343665.db2.gz OACUSKYLWZYGKN-NRFANRHFSA-N 2 1 368.521 4.193 20 0 FIADMP C[C@H](CCCC(F)(F)F)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000480252435 1112350411 /nfs/dbraw/zinc/35/04/11/1112350411.db2.gz UWUIBEWPSDQYEC-IEBWSBKVSA-N 2 1 371.491 4.076 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCCC(F)(F)F)CC2)oc1C ZINC000480251442 1112350495 /nfs/dbraw/zinc/35/04/95/1112350495.db2.gz CCDVZSVPAOPYQI-CYBMUJFWSA-N 2 1 361.452 4.214 20 0 FIADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000554723297 1112463013 /nfs/dbraw/zinc/46/30/13/1112463013.db2.gz XIOJENUZLFADAI-UHFFFAOYSA-N 2 1 373.884 4.102 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000480601519 1112491461 /nfs/dbraw/zinc/49/14/61/1112491461.db2.gz ASUGGLMZDSGXPU-HSALFYBXSA-N 2 1 354.542 4.281 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000480617506 1112511132 /nfs/dbraw/zinc/51/11/32/1112511132.db2.gz RJILBOWXMQLJBG-RTBURBONSA-N 2 1 374.573 4.379 20 0 FIADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000554888713 1112546618 /nfs/dbraw/zinc/54/66/18/1112546618.db2.gz JRJZESAGBUJWRD-NRFANRHFSA-N 2 1 350.466 4.167 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)CC[N@@H+]1C ZINC000480711086 1112565123 /nfs/dbraw/zinc/56/51/23/1112565123.db2.gz PKRFRLMBJPQQHO-MDASCCDHSA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)CC[N@H+]1C ZINC000480711086 1112565131 /nfs/dbraw/zinc/56/51/31/1112565131.db2.gz PKRFRLMBJPQQHO-MDASCCDHSA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710634 1112565465 /nfs/dbraw/zinc/56/54/65/1112565465.db2.gz PHRUIMJWQCUJBI-SKWRMQMOSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710634 1112565468 /nfs/dbraw/zinc/56/54/68/1112565468.db2.gz PHRUIMJWQCUJBI-SKWRMQMOSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710634 1112565471 /nfs/dbraw/zinc/56/54/71/1112565471.db2.gz PHRUIMJWQCUJBI-SKWRMQMOSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480710634 1112565475 /nfs/dbraw/zinc/56/54/75/1112565475.db2.gz PHRUIMJWQCUJBI-SKWRMQMOSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710634 1112565478 /nfs/dbraw/zinc/56/54/78/1112565478.db2.gz PHRUIMJWQCUJBI-SKWRMQMOSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710634 1112565481 /nfs/dbraw/zinc/56/54/81/1112565481.db2.gz PHRUIMJWQCUJBI-SKWRMQMOSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710634 1112565483 /nfs/dbraw/zinc/56/54/83/1112565483.db2.gz PHRUIMJWQCUJBI-SKWRMQMOSA-N 2 1 369.597 4.140 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000480738186 1112571826 /nfs/dbraw/zinc/57/18/26/1112571826.db2.gz QRKXIJWFDRQDAO-GOSISDBHSA-N 2 1 371.594 4.353 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000480755253 1112588446 /nfs/dbraw/zinc/58/84/46/1112588446.db2.gz GNGLXXYPOSAXAS-IHRRRGAJSA-N 2 1 357.325 4.223 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480810376 1112615640 /nfs/dbraw/zinc/61/56/40/1112615640.db2.gz DYVQUYMOWXFHPL-AUSIDOKSSA-N 2 1 352.522 4.223 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc(C)c1F ZINC000480876872 1112651309 /nfs/dbraw/zinc/65/13/09/1112651309.db2.gz IBARZDCGCRHUBT-LJQANCHMSA-N 2 1 369.528 4.041 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000480879156 1112651958 /nfs/dbraw/zinc/65/19/58/1112651958.db2.gz GTSJJGZYQLYZKE-YLJYHZDGSA-N 2 1 366.977 4.344 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)[C@H](C)C1 ZINC000481421638 1112937833 /nfs/dbraw/zinc/93/78/33/1112937833.db2.gz IYXVJBXQOZCBCD-IERDGZPVSA-N 2 1 357.542 4.011 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542800 1112973717 /nfs/dbraw/zinc/97/37/17/1112973717.db2.gz DEDGWAJFFYCYLA-DVECYGJZSA-N 2 1 364.533 4.465 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)CCO1 ZINC000481542800 1112973718 /nfs/dbraw/zinc/97/37/18/1112973718.db2.gz DEDGWAJFFYCYLA-DVECYGJZSA-N 2 1 364.533 4.465 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554043 1112976435 /nfs/dbraw/zinc/97/64/35/1112976435.db2.gz WVOUNFVULUGPNK-FDDCHVKYSA-N 2 1 364.533 4.420 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554043 1112976436 /nfs/dbraw/zinc/97/64/36/1112976436.db2.gz WVOUNFVULUGPNK-FDDCHVKYSA-N 2 1 364.533 4.420 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481720337 1113060325 /nfs/dbraw/zinc/06/03/25/1113060325.db2.gz FJJYABIYXBYBFN-JLHGSKIFSA-N 2 1 350.506 4.107 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](c4ccccc4F)C3)sc2C1 ZINC000481807346 1113084854 /nfs/dbraw/zinc/08/48/54/1113084854.db2.gz BYNFQGVYOREEFH-HOTGVXAUSA-N 2 1 373.541 4.475 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](c4ccccc4F)C3)sc2C1 ZINC000481807346 1113084860 /nfs/dbraw/zinc/08/48/60/1113084860.db2.gz BYNFQGVYOREEFH-HOTGVXAUSA-N 2 1 373.541 4.475 20 0 FIADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000481996051 1113151405 /nfs/dbraw/zinc/15/14/05/1113151405.db2.gz ZOLANJMSVSNUCR-REWPJTCUSA-N 2 1 364.533 4.156 20 0 FIADMP CCCc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000482023158 1113152097 /nfs/dbraw/zinc/15/20/97/1113152097.db2.gz YMANFBXWKLXQAR-UHFFFAOYSA-N 2 1 371.613 4.267 20 0 FIADMP CCCc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000482023158 1113152100 /nfs/dbraw/zinc/15/21/00/1113152100.db2.gz YMANFBXWKLXQAR-UHFFFAOYSA-N 3 1 371.613 4.267 20 0 FIADMP CCCc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000482023158 1113152102 /nfs/dbraw/zinc/15/21/02/1113152102.db2.gz YMANFBXWKLXQAR-UHFFFAOYSA-N 3 1 371.613 4.267 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482117625 1113174450 /nfs/dbraw/zinc/17/44/50/1113174450.db2.gz AIJLJPXTNFNWGG-UGKGYDQZSA-N 2 1 364.533 4.227 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000482132201 1113178642 /nfs/dbraw/zinc/17/86/42/1113178642.db2.gz HMZAAXOADXVOQN-PMACEKPBSA-N 2 1 359.558 4.041 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000482123085 1113181581 /nfs/dbraw/zinc/18/15/81/1113181581.db2.gz GTXUPXVNMOSZQX-JXFKEZNVSA-N 2 1 356.535 4.246 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482123085 1113181583 /nfs/dbraw/zinc/18/15/83/1113181583.db2.gz GTXUPXVNMOSZQX-JXFKEZNVSA-N 2 1 356.535 4.246 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCc1c(Cl)cccc1Cl ZINC000482172178 1113192319 /nfs/dbraw/zinc/19/23/19/1113192319.db2.gz RSCZTRSEVPAJRF-MDASCCDHSA-N 2 1 371.352 4.110 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000482236556 1113206386 /nfs/dbraw/zinc/20/63/86/1113206386.db2.gz AGVCTHUZYULKNS-PXNSSMCTSA-N 2 1 364.961 4.098 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333085 1113227933 /nfs/dbraw/zinc/22/79/33/1113227933.db2.gz ZCYABYSJPOXUOV-JKSUJKDBSA-N 2 1 358.448 4.399 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000482339593 1113229376 /nfs/dbraw/zinc/22/93/76/1113229376.db2.gz VRUXCEIQJXEZJM-YKSBVNFPSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000482339593 1113229379 /nfs/dbraw/zinc/22/93/79/1113229379.db2.gz VRUXCEIQJXEZJM-YKSBVNFPSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000482339593 1113229384 /nfs/dbraw/zinc/22/93/84/1113229384.db2.gz VRUXCEIQJXEZJM-YKSBVNFPSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000482339593 1113229387 /nfs/dbraw/zinc/22/93/87/1113229387.db2.gz VRUXCEIQJXEZJM-YKSBVNFPSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000482339593 1113229390 /nfs/dbraw/zinc/22/93/90/1113229390.db2.gz VRUXCEIQJXEZJM-YKSBVNFPSA-N 2 1 365.565 4.139 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482445205 1113258536 /nfs/dbraw/zinc/25/85/36/1113258536.db2.gz AQDWNMJARJFAAJ-FPOVZHCZSA-N 2 1 352.522 4.301 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456582 1113260606 /nfs/dbraw/zinc/26/06/06/1113260606.db2.gz ZKENXKZIHJKEOM-DENIHFKCSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456582 1113260608 /nfs/dbraw/zinc/26/06/08/1113260608.db2.gz ZKENXKZIHJKEOM-DENIHFKCSA-N 2 1 368.496 4.194 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000482457202 1113261596 /nfs/dbraw/zinc/26/15/96/1113261596.db2.gz JRWWFWPXYLPCKV-LEOXJPRUSA-N 2 1 352.522 4.219 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000482457202 1113261599 /nfs/dbraw/zinc/26/15/99/1113261599.db2.gz JRWWFWPXYLPCKV-LEOXJPRUSA-N 2 1 352.522 4.219 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+]CCCc2c(Cl)cccc2Cl)CCCO1 ZINC000482459593 1113266277 /nfs/dbraw/zinc/26/62/77/1113266277.db2.gz VWPGWSHGADHSKX-HNNXBMFYSA-N 2 1 359.341 4.017 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](Cc3ccccc3)C3CC3)CCCC2)CC1 ZINC000482638509 1113316771 /nfs/dbraw/zinc/31/67/71/1113316771.db2.gz QFDQFARWIZTHQI-QFIPXVFZSA-N 2 1 356.554 4.021 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000482652748 1113323205 /nfs/dbraw/zinc/32/32/05/1113323205.db2.gz ULDRTRJZDOPMLC-LAUBAEHRSA-N 2 1 356.485 4.225 20 0 FIADMP COc1cc(Cl)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000482810380 1113367794 /nfs/dbraw/zinc/36/77/94/1113367794.db2.gz IAFGEZKARMTKKF-UHFFFAOYSA-N 2 1 359.901 4.092 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000483137037 1113446360 /nfs/dbraw/zinc/44/63/60/1113446360.db2.gz SZXDMYGEAAPVQU-LMMKCTJWSA-N 2 1 364.599 4.415 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182245 1113459111 /nfs/dbraw/zinc/45/91/11/1113459111.db2.gz YIPZSUVOLSBJIB-JSSFPYSZSA-N 2 1 358.448 4.101 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182245 1113459113 /nfs/dbraw/zinc/45/91/13/1113459113.db2.gz YIPZSUVOLSBJIB-JSSFPYSZSA-N 2 1 358.448 4.101 20 0 FIADMP Fc1cccc(-c2ccc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)o2)c1F ZINC000483269180 1113477107 /nfs/dbraw/zinc/47/71/07/1113477107.db2.gz QSVVBPRVPULAIU-INIZCTEOSA-N 2 1 356.372 4.273 20 0 FIADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000483298002 1113482579 /nfs/dbraw/zinc/48/25/79/1113482579.db2.gz QICFRNJVVAVUGI-GJZGRUSLSA-N 2 1 356.963 4.113 20 0 FIADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000483298001 1113482703 /nfs/dbraw/zinc/48/27/03/1113482703.db2.gz QICFRNJVVAVUGI-GASCZTMLSA-N 2 1 356.963 4.113 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000483298001 1113482706 /nfs/dbraw/zinc/48/27/06/1113482706.db2.gz QICFRNJVVAVUGI-GASCZTMLSA-N 2 1 356.963 4.113 20 0 FIADMP CN(C(=O)OC(C)(C)C)c1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168370886 1113546399 /nfs/dbraw/zinc/54/63/99/1113546399.db2.gz HUBNYBGTVORYQQ-UHFFFAOYSA-N 2 1 373.541 4.022 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486376493 1113556723 /nfs/dbraw/zinc/55/67/23/1113556723.db2.gz OYSGEFHMBCYIHN-UGKGYDQZSA-N 2 1 374.532 4.181 20 0 FIADMP Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000486462190 1113572721 /nfs/dbraw/zinc/57/27/21/1113572721.db2.gz AWIHFJBEMMAXAC-MRXNPFEDSA-N 2 1 373.928 4.195 20 0 FIADMP Clc1ccc(CCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000668692263 1113655724 /nfs/dbraw/zinc/65/57/24/1113655724.db2.gz HLIMKUXTPQMLSW-KRWDZBQOSA-N 2 1 371.352 4.159 20 0 FIADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000488427656 1113927717 /nfs/dbraw/zinc/92/77/17/1113927717.db2.gz VINWYCPINMENKB-NUJGCVRESA-N 2 1 352.613 4.470 20 0 FIADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000488427656 1113927719 /nfs/dbraw/zinc/92/77/19/1113927719.db2.gz VINWYCPINMENKB-NUJGCVRESA-N 2 1 352.613 4.470 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279750 1114014953 /nfs/dbraw/zinc/01/49/53/1114014953.db2.gz XPSJLPYMENQRRT-SFTDATJTSA-N 2 1 362.517 4.340 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279750 1114014957 /nfs/dbraw/zinc/01/49/57/1114014957.db2.gz XPSJLPYMENQRRT-SFTDATJTSA-N 2 1 362.517 4.340 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000570508507 1114133531 /nfs/dbraw/zinc/13/35/31/1114133531.db2.gz AIVLJWKQINOLNF-UHFFFAOYSA-N 2 1 366.553 4.402 20 0 FIADMP CN(Cc1ccccc1OC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571806199 1114539819 /nfs/dbraw/zinc/53/98/19/1114539819.db2.gz AFHRTIARXSWSBX-HXUWFJFHSA-N 2 1 350.506 4.182 20 0 FIADMP CC(C)[N@@H+](C)CC1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000571965246 1114561846 /nfs/dbraw/zinc/56/18/46/1114561846.db2.gz PHSNWKNUNLXOBL-UHFFFAOYSA-N 2 1 371.594 4.481 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000571965246 1114561850 /nfs/dbraw/zinc/56/18/50/1114561850.db2.gz PHSNWKNUNLXOBL-UHFFFAOYSA-N 2 1 371.594 4.481 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000571965246 1114561853 /nfs/dbraw/zinc/56/18/53/1114561853.db2.gz PHSNWKNUNLXOBL-UHFFFAOYSA-N 2 1 371.594 4.481 20 0 FIADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000589641487 1114819074 /nfs/dbraw/zinc/81/90/74/1114819074.db2.gz MABGMMIRTFMCEL-UHFFFAOYSA-N 2 1 362.521 4.095 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C1 ZINC000589641841 1114820252 /nfs/dbraw/zinc/82/02/52/1114820252.db2.gz QKRNCHBBTYRXJQ-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000589836085 1114846901 /nfs/dbraw/zinc/84/69/01/1114846901.db2.gz GJFRILFOCNBEFR-AWEZNQCLSA-N 2 1 357.311 4.190 20 0 FIADMP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)ccc1F ZINC000590786165 1114973972 /nfs/dbraw/zinc/97/39/72/1114973972.db2.gz DSFZRUAFWKAAHE-INIZCTEOSA-N 2 1 374.504 4.297 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccsc4)cc3)C2)CC1 ZINC000573527671 1115135295 /nfs/dbraw/zinc/13/52/95/1115135295.db2.gz GVBHGBBPCHIGLO-QFIPXVFZSA-N 2 1 369.578 4.015 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609582 1115146588 /nfs/dbraw/zinc/14/65/88/1115146588.db2.gz BRYBNLGBFNXSNI-UKRRQHHQSA-N 2 1 374.941 4.275 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609582 1115146591 /nfs/dbraw/zinc/14/65/91/1115146591.db2.gz BRYBNLGBFNXSNI-UKRRQHHQSA-N 2 1 374.941 4.275 20 0 FIADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C1CCCCC1 ZINC000593720238 1115340090 /nfs/dbraw/zinc/34/00/90/1115340090.db2.gz QMKDFMVHJIEUKS-XDHUDOTRSA-N 2 1 350.572 4.119 20 0 FIADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C1CCCCC1 ZINC000593720238 1115340094 /nfs/dbraw/zinc/34/00/94/1115340094.db2.gz QMKDFMVHJIEUKS-XDHUDOTRSA-N 2 1 350.572 4.119 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593689354 1115342340 /nfs/dbraw/zinc/34/23/40/1115342340.db2.gz HVKNVIYGIWOJJL-UXHICEINSA-N 2 1 358.526 4.019 20 0 FIADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000595023436 1115504919 /nfs/dbraw/zinc/50/49/19/1115504919.db2.gz YDJUODVUQIVOHI-CVEARBPZSA-N 2 1 357.498 4.199 20 0 FIADMP COC(=O)c1oc(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1C ZINC000597052043 1115638039 /nfs/dbraw/zinc/63/80/39/1115638039.db2.gz ZCICYXXWDNHJFU-KRWDZBQOSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000597052043 1115638041 /nfs/dbraw/zinc/63/80/41/1115638041.db2.gz ZCICYXXWDNHJFU-KRWDZBQOSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1C ZINC000597052043 1115638043 /nfs/dbraw/zinc/63/80/43/1115638043.db2.gz ZCICYXXWDNHJFU-KRWDZBQOSA-N 2 1 370.493 4.039 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001168412254 1115691627 /nfs/dbraw/zinc/69/16/27/1115691627.db2.gz MBNUCMNKLJMXPA-NEWJYFPISA-N 2 1 364.508 4.468 20 0 FIADMP COc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683864 1115779675 /nfs/dbraw/zinc/77/96/75/1115779675.db2.gz YTDFSULSLHMRBH-PKOBYXMFSA-N 2 1 356.485 4.225 20 0 FIADMP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2C)cc1OC ZINC000534220060 1116172335 /nfs/dbraw/zinc/17/23/35/1116172335.db2.gz XDXGPJWFBDRCJS-FQEVSTJZSA-N 2 1 371.525 4.086 20 0 FIADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2C)cc1OC ZINC000534220060 1116172337 /nfs/dbraw/zinc/17/23/37/1116172337.db2.gz XDXGPJWFBDRCJS-FQEVSTJZSA-N 2 1 371.525 4.086 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000534529354 1116211012 /nfs/dbraw/zinc/21/10/12/1116211012.db2.gz FZZHRULXPMBOKA-MBSDFSHPSA-N 2 1 362.521 4.004 20 0 FIADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000534964785 1116258390 /nfs/dbraw/zinc/25/83/90/1116258390.db2.gz BXVRWPSERXQEAI-UHFFFAOYSA-N 2 1 368.496 4.322 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546874247 1116284929 /nfs/dbraw/zinc/28/49/29/1116284929.db2.gz UKBDPOXQGXZEQZ-NRFANRHFSA-N 2 1 357.929 4.481 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509163 1116313847 /nfs/dbraw/zinc/31/38/47/1116313847.db2.gz YPCXXDFXVZXQCU-BZNIZROVSA-N 2 1 357.723 4.021 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1ccccc1OCC(F)(F)F)C1CCCCC1 ZINC000462675236 1116389694 /nfs/dbraw/zinc/38/96/94/1116389694.db2.gz LDAJJQYAYRCCCS-UHFFFAOYSA-N 2 1 358.448 4.372 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1ccccc1OCC(F)(F)F)C1CCCCC1 ZINC000462675236 1116389695 /nfs/dbraw/zinc/38/96/95/1116389695.db2.gz LDAJJQYAYRCCCS-UHFFFAOYSA-N 2 1 358.448 4.372 20 0 FIADMP CCCn1nc(C)c(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000539863338 1116392577 /nfs/dbraw/zinc/39/25/77/1116392577.db2.gz WHZCKLNNDJEYDM-JOCHJYFZSA-N 2 1 368.569 4.254 20 0 FIADMP CCCn1nc(C)c(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000539863338 1116392579 /nfs/dbraw/zinc/39/25/79/1116392579.db2.gz WHZCKLNNDJEYDM-JOCHJYFZSA-N 2 1 368.569 4.254 20 0 FIADMP CCCn1nc(C)c(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000539863338 1116392582 /nfs/dbraw/zinc/39/25/82/1116392582.db2.gz WHZCKLNNDJEYDM-JOCHJYFZSA-N 2 1 368.569 4.254 20 0 FIADMP CCCn1nc(C)c(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000539863338 1116392584 /nfs/dbraw/zinc/39/25/84/1116392584.db2.gz WHZCKLNNDJEYDM-JOCHJYFZSA-N 2 1 368.569 4.254 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000462774113 1117769043 /nfs/dbraw/zinc/76/90/43/1117769043.db2.gz BLLMBNPAZCXTIB-UHFFFAOYSA-N 2 1 356.485 4.356 20 0 FIADMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000462796041 1117777722 /nfs/dbraw/zinc/77/77/22/1117777722.db2.gz ZHZNLKZHNRKXKK-HXUWFJFHSA-N 2 1 358.526 4.092 20 0 FIADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000462796041 1117777725 /nfs/dbraw/zinc/77/77/25/1117777725.db2.gz ZHZNLKZHNRKXKK-HXUWFJFHSA-N 2 1 358.526 4.092 20 0 FIADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462797909 1117779969 /nfs/dbraw/zinc/77/99/69/1117779969.db2.gz JXHIMJNELOFWNJ-UHFFFAOYSA-N 2 1 364.533 4.466 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000462802753 1117785901 /nfs/dbraw/zinc/78/59/01/1117785901.db2.gz ADSQYGJYRYGIMR-UWIFEVILSA-N 2 1 351.332 4.015 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000462942323 1117871494 /nfs/dbraw/zinc/87/14/94/1117871494.db2.gz LAUWMCJQWUVIJM-OAHLLOKOSA-N 2 1 363.452 4.313 20 0 FIADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463070593 1117956526 /nfs/dbraw/zinc/95/65/26/1117956526.db2.gz FXQPJRZOIMWBLK-KRWDZBQOSA-N 2 1 356.485 4.192 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463106569 1117967268 /nfs/dbraw/zinc/96/72/68/1117967268.db2.gz AOTININTOOQWIE-AZUAARDMSA-N 2 1 357.567 4.417 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463106569 1117967270 /nfs/dbraw/zinc/96/72/70/1117967270.db2.gz AOTININTOOQWIE-AZUAARDMSA-N 2 1 357.567 4.417 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463108300 1117967764 /nfs/dbraw/zinc/96/77/64/1117967764.db2.gz GHPKWYWNFYOIKU-QGZVFWFLSA-N 2 1 356.485 4.192 20 0 FIADMP Fc1ccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCC2)cc1 ZINC000540299419 1117975211 /nfs/dbraw/zinc/97/52/11/1117975211.db2.gz FKEMEVHVNXYTFR-NRFANRHFSA-N 2 1 360.517 4.292 20 0 FIADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463121019 1117979163 /nfs/dbraw/zinc/97/91/63/1117979163.db2.gz XZMQOIBASYDNIH-FPOVZHCZSA-N 2 1 368.521 4.107 20 0 FIADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463121019 1117979165 /nfs/dbraw/zinc/97/91/65/1117979165.db2.gz XZMQOIBASYDNIH-FPOVZHCZSA-N 2 1 368.521 4.107 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3(c4cccc(F)c4)CC3)CC2)cc1 ZINC000463122214 1117979787 /nfs/dbraw/zinc/97/97/87/1117979787.db2.gz HRRWXOASMIAEQO-UHFFFAOYSA-N 2 1 370.487 4.293 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463144474 1117981443 /nfs/dbraw/zinc/98/14/43/1117981443.db2.gz KFSSIIRXFJCFMY-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000463144474 1117981445 /nfs/dbraw/zinc/98/14/45/1117981445.db2.gz KFSSIIRXFJCFMY-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463144901 1117982460 /nfs/dbraw/zinc/98/24/60/1117982460.db2.gz CCVDBGALLCVCRP-NQIIRXRSSA-N 2 1 353.510 4.013 20 0 FIADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463144901 1117982463 /nfs/dbraw/zinc/98/24/63/1117982463.db2.gz CCVDBGALLCVCRP-NQIIRXRSSA-N 2 1 353.510 4.013 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463138933 1117986593 /nfs/dbraw/zinc/98/65/93/1117986593.db2.gz FOHSSHHHXRJPBD-SFHVURJKSA-N 2 1 363.977 4.159 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000463139521 1117986613 /nfs/dbraw/zinc/98/66/13/1117986613.db2.gz HSGUTAKNYRXJFO-UHFFFAOYSA-N 2 1 370.487 4.293 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147900 1117992028 /nfs/dbraw/zinc/99/20/28/1117992028.db2.gz REZNAWDKNMGREZ-XXBNENTESA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147900 1117992034 /nfs/dbraw/zinc/99/20/34/1117992034.db2.gz REZNAWDKNMGREZ-XXBNENTESA-N 2 1 352.522 4.366 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408559 1118038581 /nfs/dbraw/zinc/03/85/81/1118038581.db2.gz MCWHGMVKJYZPLL-HXOBKFHXSA-N 2 1 368.496 4.214 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408559 1118038586 /nfs/dbraw/zinc/03/85/86/1118038586.db2.gz MCWHGMVKJYZPLL-HXOBKFHXSA-N 2 1 368.496 4.214 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@H]1C ZINC000540548440 1118120366 /nfs/dbraw/zinc/12/03/66/1118120366.db2.gz UXEDXITUXVNQAH-TZIWHRDSSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@H]1C ZINC000540548440 1118120371 /nfs/dbraw/zinc/12/03/71/1118120371.db2.gz UXEDXITUXVNQAH-TZIWHRDSSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@H]1C ZINC000540548440 1118120375 /nfs/dbraw/zinc/12/03/75/1118120375.db2.gz UXEDXITUXVNQAH-TZIWHRDSSA-N 2 1 374.569 4.187 20 0 FIADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000540708154 1118196174 /nfs/dbraw/zinc/19/61/74/1118196174.db2.gz MSJJAKRYPUVTDX-RBBKRZOGSA-N 2 1 356.510 4.205 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000540988172 1118340215 /nfs/dbraw/zinc/34/02/15/1118340215.db2.gz HNFPLYZTFZCGMU-IBGZPJMESA-N 2 1 356.913 4.267 20 0 FIADMP CCc1ccc([C@H](CC)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000540992091 1118341761 /nfs/dbraw/zinc/34/17/61/1118341761.db2.gz UVJQBSCUYXWKME-ZEQRLZLVSA-N 2 1 366.549 4.447 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000464067987 1118425808 /nfs/dbraw/zinc/42/58/08/1118425808.db2.gz LSBNHTVPHKMKMJ-LCKKVJLRSA-N 2 1 356.554 4.397 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000541215499 1118430901 /nfs/dbraw/zinc/43/09/01/1118430901.db2.gz DVNKLMSHNCLXKQ-RZUBCFFCSA-N 2 1 368.569 4.285 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2Br)[C@H](C)C1 ZINC000541281476 1118462144 /nfs/dbraw/zinc/46/21/44/1118462144.db2.gz HUCZHWNKDOUKRQ-QAPCUYQASA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2Br)[C@H](C)C1 ZINC000541281476 1118462147 /nfs/dbraw/zinc/46/21/47/1118462147.db2.gz HUCZHWNKDOUKRQ-QAPCUYQASA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2Br)[C@H](C)C1 ZINC000541281476 1118462151 /nfs/dbraw/zinc/46/21/51/1118462151.db2.gz HUCZHWNKDOUKRQ-QAPCUYQASA-N 2 1 353.348 4.044 20 0 FIADMP Cc1ccccc1OCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845037 1118718792 /nfs/dbraw/zinc/71/87/92/1118718792.db2.gz DBUDZBVTNPENLR-JOCHJYFZSA-N 2 1 352.522 4.218 20 0 FIADMP Cc1ccccc1OCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845037 1118718797 /nfs/dbraw/zinc/71/87/97/1118718797.db2.gz DBUDZBVTNPENLR-JOCHJYFZSA-N 2 1 352.522 4.218 20 0 FIADMP Cc1ccccc1OCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845037 1118718800 /nfs/dbraw/zinc/71/88/00/1118718800.db2.gz DBUDZBVTNPENLR-JOCHJYFZSA-N 2 1 352.522 4.218 20 0 FIADMP C[N@H+](CCSc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846016 1118719412 /nfs/dbraw/zinc/71/94/12/1118719412.db2.gz IESZAUNMKAVXTP-LJQANCHMSA-N 2 1 358.526 4.372 20 0 FIADMP C[N@@H+](CCSc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846016 1118719414 /nfs/dbraw/zinc/71/94/14/1118719414.db2.gz IESZAUNMKAVXTP-LJQANCHMSA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846016 1118719416 /nfs/dbraw/zinc/71/94/16/1118719416.db2.gz IESZAUNMKAVXTP-LJQANCHMSA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846016 1118719419 /nfs/dbraw/zinc/71/94/19/1118719419.db2.gz IESZAUNMKAVXTP-LJQANCHMSA-N 2 1 358.526 4.372 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000541955746 1118720981 /nfs/dbraw/zinc/72/09/81/1118720981.db2.gz RNFIGRVTSFXXPA-QZTJIDSGSA-N 2 1 370.541 4.162 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000542019856 1118756128 /nfs/dbraw/zinc/75/61/28/1118756128.db2.gz POMPAGVCYUVLPC-IBGZPJMESA-N 2 1 369.557 4.162 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)cc1)C(C)C ZINC000465366117 1118930393 /nfs/dbraw/zinc/93/03/93/1118930393.db2.gz RFAQOLQYAWSXFN-YADHBBJMSA-N 2 1 371.569 4.004 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1)C(C)C ZINC000465366117 1118930395 /nfs/dbraw/zinc/93/03/95/1118930395.db2.gz RFAQOLQYAWSXFN-YADHBBJMSA-N 2 1 371.569 4.004 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1)C(C)C ZINC000465366117 1118930397 /nfs/dbraw/zinc/93/03/97/1118930397.db2.gz RFAQOLQYAWSXFN-YADHBBJMSA-N 2 1 371.569 4.004 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(Br)c3)CC2)[nH+]1 ZINC000173423712 1119039675 /nfs/dbraw/zinc/03/96/75/1119039675.db2.gz UUOMZMFXTSKXLC-HNNXBMFYSA-N 2 1 374.326 4.472 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492533594 1119119824 /nfs/dbraw/zinc/11/98/24/1119119824.db2.gz AZPYYMCEUHQVQG-ICSRJNTNSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492533594 1119119830 /nfs/dbraw/zinc/11/98/30/1119119830.db2.gz AZPYYMCEUHQVQG-ICSRJNTNSA-N 2 1 367.537 4.259 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000175515194 1119211617 /nfs/dbraw/zinc/21/16/17/1119211617.db2.gz MGRFDDCSMOGKQF-KURKYZTESA-N 2 1 368.525 4.255 20 0 FIADMP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn(-c3cc[nH+]cc3)nc1C)CCC2 ZINC000542464986 1119302643 /nfs/dbraw/zinc/30/26/43/1119302643.db2.gz YOGQKFGMEIKGRI-SFHVURJKSA-N 2 1 367.522 4.104 20 0 FIADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn(-c3cc[nH+]cc3)nc1C)CCC2 ZINC000542464986 1119302649 /nfs/dbraw/zinc/30/26/49/1119302649.db2.gz YOGQKFGMEIKGRI-SFHVURJKSA-N 2 1 367.522 4.104 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311994850 1119397111 /nfs/dbraw/zinc/39/71/11/1119397111.db2.gz SSARSCPBBXKVOU-LPHOPBHVSA-N 2 1 360.448 4.288 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CCCCc4ccccc43)CC2)nc(C)[nH+]1 ZINC000178695535 1119403683 /nfs/dbraw/zinc/40/36/83/1119403683.db2.gz JYUDNMRINAKRSU-NRFANRHFSA-N 2 1 350.510 4.120 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000542465704 1119448375 /nfs/dbraw/zinc/44/83/75/1119448375.db2.gz JZDJXFAKNOTEKE-SFHVURJKSA-N 2 1 372.582 4.410 20 0 FIADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000493952229 1119514969 /nfs/dbraw/zinc/51/49/69/1119514969.db2.gz IVYVCDQFENMIML-QVKFZJNVSA-N 2 1 353.441 4.186 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000493952228 1119515304 /nfs/dbraw/zinc/51/53/04/1119515304.db2.gz IVYVCDQFENMIML-BTYIYWSLSA-N 2 1 353.441 4.186 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183155225 1119567016 /nfs/dbraw/zinc/56/70/16/1119567016.db2.gz WGQFNLPYSZFWGF-BHIFYINESA-N 2 1 356.554 4.084 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183155189 1119567065 /nfs/dbraw/zinc/56/70/65/1119567065.db2.gz WGQFNLPYSZFWGF-FDFHNCONSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183183998 1119568452 /nfs/dbraw/zinc/56/84/52/1119568452.db2.gz WUFXWSIDAOHZKB-NLWGTHIKSA-N 2 1 369.553 4.117 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000183190287 1119568528 /nfs/dbraw/zinc/56/85/28/1119568528.db2.gz GEMFAJHZLWHZTL-CMKODMSKSA-N 2 1 352.526 4.176 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183190325 1119568577 /nfs/dbraw/zinc/56/85/77/1119568577.db2.gz GEMFAJHZLWHZTL-NLWGTHIKSA-N 2 1 352.526 4.176 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1csc(Cl)c1 ZINC000191209484 1119965342 /nfs/dbraw/zinc/96/53/42/1119965342.db2.gz KMYJSBDABYLXBM-CABCVRRESA-N 2 1 364.942 4.473 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1csc(Cl)c1 ZINC000191209484 1119965345 /nfs/dbraw/zinc/96/53/45/1119965345.db2.gz KMYJSBDABYLXBM-CABCVRRESA-N 2 1 364.942 4.473 20 0 FIADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000191460207 1119978335 /nfs/dbraw/zinc/97/83/35/1119978335.db2.gz HHSVBVYCGTXTQO-IBGZPJMESA-N 2 1 357.542 4.232 20 0 FIADMP C[C@H]1COCC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000192607899 1120069886 /nfs/dbraw/zinc/06/98/86/1120069886.db2.gz CANWTEBXYSOZCE-NZQKXSOJSA-N 2 1 352.522 4.094 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3sccc3Cl)CC2)oc1C ZINC000193099889 1120099282 /nfs/dbraw/zinc/09/92/82/1120099282.db2.gz AMMSBLNKHGSJIJ-UHFFFAOYSA-N 2 1 353.919 4.008 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132447 1120119677 /nfs/dbraw/zinc/11/96/77/1120119677.db2.gz JRXJOOUDBYLEMS-YLJYHZDGSA-N 2 1 354.542 4.119 20 0 FIADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737386 1120299018 /nfs/dbraw/zinc/29/90/18/1120299018.db2.gz CEEZVXXPENXCHS-RTBURBONSA-N 2 1 371.569 4.335 20 0 FIADMP C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533268 1120431714 /nfs/dbraw/zinc/43/17/14/1120431714.db2.gz KXLAJIIEBCQYKG-RDJZCZTQSA-N 2 1 370.459 4.370 20 0 FIADMP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670153973 1120710138 /nfs/dbraw/zinc/71/01/38/1120710138.db2.gz SFLCCHJPFFMXGP-SCTDSRPQSA-N 2 1 363.343 4.433 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495422148 1120799092 /nfs/dbraw/zinc/79/90/92/1120799092.db2.gz YOZQLNHAXMDGHI-MDKPJZGXSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495422148 1120799099 /nfs/dbraw/zinc/79/90/99/1120799099.db2.gz YOZQLNHAXMDGHI-MDKPJZGXSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434251 1120809536 /nfs/dbraw/zinc/80/95/36/1120809536.db2.gz REDPQJITYKWERW-MZKRTTBSSA-N 2 1 374.532 4.434 20 0 FIADMP COc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(SC)cc1OC ZINC000237150387 1120974103 /nfs/dbraw/zinc/97/41/03/1120974103.db2.gz CGVCLUJBZRRFPL-UHFFFAOYSA-N 2 1 366.571 4.170 20 0 FIADMP COc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(SC)cc1OC ZINC000237150387 1120974104 /nfs/dbraw/zinc/97/41/04/1120974104.db2.gz CGVCLUJBZRRFPL-UHFFFAOYSA-N 2 1 366.571 4.170 20 0 FIADMP Clc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000762925218 1120997882 /nfs/dbraw/zinc/99/78/82/1120997882.db2.gz FFCHSYPPRNAYFG-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc2c(c1)CCO2 ZINC000153704169 1121036697 /nfs/dbraw/zinc/03/66/97/1121036697.db2.gz BSAPQVKILIIYEL-HXUWFJFHSA-N 2 1 365.452 4.496 20 0 FIADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Br)s3)s2)C1 ZINC001235750962 1121116333 /nfs/dbraw/zinc/11/63/33/1121116333.db2.gz TXXYXMRPHGSZIZ-JTQLQIEISA-N 2 1 357.342 4.020 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000763414921 1121581220 /nfs/dbraw/zinc/58/12/20/1121581220.db2.gz NWTGIDLHSNZODA-RBHHUKDOSA-N 2 1 370.512 4.138 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000763414921 1121581228 /nfs/dbraw/zinc/58/12/28/1121581228.db2.gz NWTGIDLHSNZODA-RBHHUKDOSA-N 2 1 370.512 4.138 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000763416492 1121585324 /nfs/dbraw/zinc/58/53/24/1121585324.db2.gz VAKJSOMTXZFVEU-HNJRGHQBSA-N 2 1 358.551 4.060 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000763416492 1121585331 /nfs/dbraw/zinc/58/53/31/1121585331.db2.gz VAKJSOMTXZFVEU-HNJRGHQBSA-N 2 1 358.551 4.060 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000037643993 1121586644 /nfs/dbraw/zinc/58/66/44/1121586644.db2.gz QCVZUJFOSXVWKG-QWHCGFSZSA-N 2 1 351.288 4.188 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000037643993 1121586646 /nfs/dbraw/zinc/58/66/46/1121586646.db2.gz QCVZUJFOSXVWKG-QWHCGFSZSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000306604994 1121604270 /nfs/dbraw/zinc/60/42/70/1121604270.db2.gz ZRPMZWOFUMKLKC-HOCLYGCPSA-N 2 1 360.299 4.309 20 0 FIADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000306604994 1121604275 /nfs/dbraw/zinc/60/42/75/1121604275.db2.gz ZRPMZWOFUMKLKC-HOCLYGCPSA-N 2 1 360.299 4.309 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000065448582 1121675532 /nfs/dbraw/zinc/67/55/32/1121675532.db2.gz QBDLSZZPDOWXJV-UHFFFAOYSA-N 2 1 371.525 4.294 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671747848 1121693598 /nfs/dbraw/zinc/69/35/98/1121693598.db2.gz RLJKTVGBLGCDQC-HZPDHXFCSA-N 2 1 365.477 4.410 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671750338 1121713267 /nfs/dbraw/zinc/71/32/67/1121713267.db2.gz QQCHHVZFVVHROB-KBPBESRZSA-N 2 1 362.433 4.439 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC001168603718 1121874289 /nfs/dbraw/zinc/87/42/89/1121874289.db2.gz HZVQTTQVKWKSTI-NRFANRHFSA-N 2 1 356.485 4.411 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126476831 1121958901 /nfs/dbraw/zinc/95/89/01/1121958901.db2.gz GWTIPSNZLUSQBS-SRBWVJFJSA-N 2 1 352.526 4.155 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000917008329 1122000057 /nfs/dbraw/zinc/00/00/57/1122000057.db2.gz JQNNPQFWRIUWJD-HRAATJIYSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(F)c(F)c3)cc2)C1 ZINC000917008509 1122000220 /nfs/dbraw/zinc/00/02/20/1122000220.db2.gz KUSABSRGESQXPO-ZHRRBRCNSA-N 2 1 374.475 4.020 20 0 FIADMP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166564094 1122014815 /nfs/dbraw/zinc/01/48/15/1122014815.db2.gz MDKNMZLFAIBGNA-RTBURBONSA-N 2 1 352.478 4.204 20 0 FIADMP COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166564094 1122014824 /nfs/dbraw/zinc/01/48/24/1122014824.db2.gz MDKNMZLFAIBGNA-RTBURBONSA-N 2 1 352.478 4.204 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000126863719 1122019195 /nfs/dbraw/zinc/01/91/95/1122019195.db2.gz WVFQAOHPJAGXRY-DOTOQJQBSA-N 2 1 361.580 4.392 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000126863719 1122019208 /nfs/dbraw/zinc/01/92/08/1122019208.db2.gz WVFQAOHPJAGXRY-DOTOQJQBSA-N 2 1 361.580 4.392 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873503 1122020328 /nfs/dbraw/zinc/02/03/28/1122020328.db2.gz DILMVTSHVUVEMR-DLBZAZTESA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873503 1122020338 /nfs/dbraw/zinc/02/03/38/1122020338.db2.gz DILMVTSHVUVEMR-DLBZAZTESA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@@H]2C[C@H]([N@H+](Cc3ccccc3)C[C@H](C)C[NH3+])CCO2)cc1 ZINC001168615489 1122068848 /nfs/dbraw/zinc/06/88/48/1122068848.db2.gz OFDINLDFYPIIFB-AAIMPIBUSA-N 2 1 368.521 4.012 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186407569 1122100110 /nfs/dbraw/zinc/10/01/10/1122100110.db2.gz LSKRLIFKHPKXGF-UHFFFAOYSA-N 2 1 368.521 4.462 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186406344 1122100144 /nfs/dbraw/zinc/10/01/44/1122100144.db2.gz ZSKPFJDGOMPPDO-UHFFFAOYSA-N 2 1 368.521 4.462 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000765813909 1122110400 /nfs/dbraw/zinc/11/04/00/1122110400.db2.gz GZEBBVRGWCUJKC-VFNWGFHPSA-N 2 1 369.896 4.392 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(OC(F)F)cc3)CC2)[nH+]1 ZINC000128214917 1122206592 /nfs/dbraw/zinc/20/65/92/1122206592.db2.gz GQWVDHFEHSXSMQ-OAHLLOKOSA-N 2 1 361.436 4.311 20 0 FIADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000128292635 1122224988 /nfs/dbraw/zinc/22/49/88/1122224988.db2.gz NXRXRSZAGUXMQR-SFHVURJKSA-N 2 1 358.357 4.062 20 0 FIADMP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542693568 1122289128 /nfs/dbraw/zinc/28/91/28/1122289128.db2.gz JVPIFISCNOFNHN-DQHWKFJXSA-N 2 1 356.460 4.478 20 0 FIADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000128565547 1122346597 /nfs/dbraw/zinc/34/65/97/1122346597.db2.gz RGJQQJBYOVONRQ-FQEVSTJZSA-N 2 1 351.538 4.032 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556059163 1122624892 /nfs/dbraw/zinc/62/48/92/1122624892.db2.gz UVYVUISSCYVMNF-ZTNFWEORSA-N 2 1 360.448 4.157 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556059163 1122624894 /nfs/dbraw/zinc/62/48/94/1122624894.db2.gz UVYVUISSCYVMNF-ZTNFWEORSA-N 2 1 360.448 4.157 20 0 FIADMP CN(CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556058414 1122628200 /nfs/dbraw/zinc/62/82/00/1122628200.db2.gz IBQLKGUNCKNIKX-FYYLOGMGSA-N 2 1 351.538 4.328 20 0 FIADMP CN(CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556058414 1122628204 /nfs/dbraw/zinc/62/82/04/1122628204.db2.gz IBQLKGUNCKNIKX-FYYLOGMGSA-N 2 1 351.538 4.328 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094859 1122648167 /nfs/dbraw/zinc/64/81/67/1122648167.db2.gz ZGQPJHHNVKJTNG-AVCGJXAMSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094859 1122648169 /nfs/dbraw/zinc/64/81/69/1122648169.db2.gz ZGQPJHHNVKJTNG-AVCGJXAMSA-N 2 1 360.505 4.358 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104600 1122657497 /nfs/dbraw/zinc/65/74/97/1122657497.db2.gz YWJKDYKEYDDDRR-RXVVDRJESA-N 2 1 358.913 4.316 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104600 1122657501 /nfs/dbraw/zinc/65/75/01/1122657501.db2.gz YWJKDYKEYDDDRR-RXVVDRJESA-N 2 1 358.913 4.316 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000129861302 1122705298 /nfs/dbraw/zinc/70/52/98/1122705298.db2.gz JPTAVLOIQIEBRQ-QFIPXVFZSA-N 2 1 354.542 4.426 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C[C@H]1c1ccccc1 ZINC000556173915 1122714999 /nfs/dbraw/zinc/71/49/99/1122714999.db2.gz DBCPIRCVRVXDAQ-BJESRGMDSA-N 2 1 368.496 4.471 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C[C@H]1c1ccccc1 ZINC000556173915 1122715001 /nfs/dbraw/zinc/71/50/01/1122715001.db2.gz DBCPIRCVRVXDAQ-BJESRGMDSA-N 2 1 368.496 4.471 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCC[C@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233538 1122751158 /nfs/dbraw/zinc/75/11/58/1122751158.db2.gz QJHWRGCRBSRDQZ-VABKMULXSA-N 2 1 368.565 4.084 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCC[C@@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233546 1122751326 /nfs/dbraw/zinc/75/13/26/1122751326.db2.gz QJHWRGCRBSRDQZ-ZRBLBEILSA-N 2 1 368.565 4.084 20 0 FIADMP CC(C)c1nnc([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000556262794 1122771867 /nfs/dbraw/zinc/77/18/67/1122771867.db2.gz XLPJVVYTWKTGOX-IPJUCJBFSA-N 2 1 355.530 4.022 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000556587041 1122988542 /nfs/dbraw/zinc/98/85/42/1122988542.db2.gz ZCPPCZOZOKSZML-RTBURBONSA-N 2 1 370.459 4.042 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000131160597 1122994705 /nfs/dbraw/zinc/99/47/05/1122994705.db2.gz SBFJESJHYGDJFB-MRXNPFEDSA-N 2 1 358.917 4.038 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000131160597 1122994708 /nfs/dbraw/zinc/99/47/08/1122994708.db2.gz SBFJESJHYGDJFB-MRXNPFEDSA-N 2 1 358.917 4.038 20 0 FIADMP CC(C)OCCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556891907 1123179314 /nfs/dbraw/zinc/17/93/14/1123179314.db2.gz HHVRNECLRFAXGC-XPWALMASSA-N 2 1 358.570 4.472 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499138843 1123281254 /nfs/dbraw/zinc/28/12/54/1123281254.db2.gz JOWDFWCAYNVKNS-BUZMGHMJSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138843 1123281257 /nfs/dbraw/zinc/28/12/57/1123281257.db2.gz JOWDFWCAYNVKNS-BUZMGHMJSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138843 1123281263 /nfs/dbraw/zinc/28/12/63/1123281263.db2.gz JOWDFWCAYNVKNS-BUZMGHMJSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138843 1123281269 /nfs/dbraw/zinc/28/12/69/1123281269.db2.gz JOWDFWCAYNVKNS-BUZMGHMJSA-N 2 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138843 1123281274 /nfs/dbraw/zinc/28/12/74/1123281274.db2.gz JOWDFWCAYNVKNS-BUZMGHMJSA-N 2 1 369.597 4.426 20 0 FIADMP C[C@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499145498 1123286544 /nfs/dbraw/zinc/28/65/44/1123286544.db2.gz HDYNTLWATNIGCA-XXTHSBEZSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499145498 1123286545 /nfs/dbraw/zinc/28/65/45/1123286545.db2.gz HDYNTLWATNIGCA-XXTHSBEZSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499145498 1123286547 /nfs/dbraw/zinc/28/65/47/1123286547.db2.gz HDYNTLWATNIGCA-XXTHSBEZSA-N 2 1 369.597 4.282 20 0 FIADMP Brc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974780 1123287829 /nfs/dbraw/zinc/28/78/29/1123287829.db2.gz JYXZVPZVDVOWON-BEFAXECRSA-N 2 1 363.343 4.244 20 0 FIADMP Brc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974780 1123287834 /nfs/dbraw/zinc/28/78/34/1123287834.db2.gz JYXZVPZVDVOWON-BEFAXECRSA-N 2 1 363.343 4.244 20 0 FIADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158123 1123298390 /nfs/dbraw/zinc/29/83/90/1123298390.db2.gz RSQKKRXQADZBKE-IFPLKCGESA-N 2 1 356.554 4.367 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sc1C ZINC000499163955 1123301829 /nfs/dbraw/zinc/30/18/29/1123301829.db2.gz JIWGDMBZOBABLS-OWZKRDHZSA-N 2 1 369.578 4.342 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000499253799 1123373109 /nfs/dbraw/zinc/37/31/09/1123373109.db2.gz SUUNGXJXMHMJKJ-OWZKRDHZSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000499253799 1123373116 /nfs/dbraw/zinc/37/31/16/1123373116.db2.gz SUUNGXJXMHMJKJ-OWZKRDHZSA-N 2 1 354.469 4.120 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1 ZINC000615316034 1123988837 /nfs/dbraw/zinc/98/88/37/1123988837.db2.gz HXXRXNPFWLUMFE-MOPGFXCFSA-N 2 1 365.521 4.035 20 0 FIADMP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000615456396 1124014495 /nfs/dbraw/zinc/01/44/95/1124014495.db2.gz HZMNKIHGHBFRNF-CQSZACIVSA-N 2 1 357.325 4.099 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000245612357 1124140922 /nfs/dbraw/zinc/14/09/22/1124140922.db2.gz JWXOKLWDAQWERD-RTBURBONSA-N 2 1 352.522 4.262 20 0 FIADMP OCCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245737522 1124228942 /nfs/dbraw/zinc/22/89/42/1124228942.db2.gz RAFRUBAGZDADFU-XQUALCHDSA-N 2 1 364.533 4.285 20 0 FIADMP COCc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245775690 1124247193 /nfs/dbraw/zinc/24/71/93/1124247193.db2.gz XZSWVHSXONDNTA-WBDAEOGXSA-N 2 1 350.506 4.118 20 0 FIADMP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542841021 1124438794 /nfs/dbraw/zinc/43/87/94/1124438794.db2.gz XXQJWPDCJMJHOI-IBGZPJMESA-N 2 1 370.459 4.126 20 0 FIADMP CCCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000542846111 1124443585 /nfs/dbraw/zinc/44/35/85/1124443585.db2.gz JWAVGAPXJVDRGJ-GOTSBHOMSA-N 2 1 352.522 4.274 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564051 1124534649 /nfs/dbraw/zinc/53/46/49/1124534649.db2.gz FFCKNVLHHXJKEK-YWZLYKJASA-N 2 1 372.944 4.268 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564051 1124534668 /nfs/dbraw/zinc/53/46/68/1124534668.db2.gz FFCKNVLHHXJKEK-YWZLYKJASA-N 2 1 372.944 4.268 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564051 1124534675 /nfs/dbraw/zinc/53/46/75/1124534675.db2.gz FFCKNVLHHXJKEK-YWZLYKJASA-N 2 1 372.944 4.268 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccn1 ZINC000246834761 1124565150 /nfs/dbraw/zinc/56/51/50/1124565150.db2.gz BUYFLYCZIMNFQO-AUSIDOKSSA-N 2 1 367.537 4.179 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccn1 ZINC000246834761 1124565153 /nfs/dbraw/zinc/56/51/53/1124565153.db2.gz BUYFLYCZIMNFQO-AUSIDOKSSA-N 2 1 367.537 4.179 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000246976592 1124578522 /nfs/dbraw/zinc/57/85/22/1124578522.db2.gz JWANQCBYVJEQTM-ZYSHUDEJSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000246976592 1124578530 /nfs/dbraw/zinc/57/85/30/1124578530.db2.gz JWANQCBYVJEQTM-ZYSHUDEJSA-N 2 1 366.546 4.089 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)CCO1 ZINC000247080237 1124588096 /nfs/dbraw/zinc/58/80/96/1124588096.db2.gz OUVCWFMRULOZHJ-UTKZUKDTSA-N 2 1 368.546 4.234 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)CCO1 ZINC000247080237 1124588108 /nfs/dbraw/zinc/58/81/08/1124588108.db2.gz OUVCWFMRULOZHJ-UTKZUKDTSA-N 2 1 368.546 4.234 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1Cl ZINC000765919207 1124589826 /nfs/dbraw/zinc/58/98/26/1124589826.db2.gz KHPXKVJHCUADPV-MRXNPFEDSA-N 2 1 359.901 4.060 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)s1 ZINC000247119940 1124592075 /nfs/dbraw/zinc/59/20/75/1124592075.db2.gz RBAXWYQYOROBKE-DOTOQJQBSA-N 2 1 358.551 4.436 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)s1 ZINC000247119940 1124592078 /nfs/dbraw/zinc/59/20/78/1124592078.db2.gz RBAXWYQYOROBKE-DOTOQJQBSA-N 2 1 358.551 4.436 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cc(C)ccc43)CC2)oc1C ZINC000765933136 1124727076 /nfs/dbraw/zinc/72/70/76/1124727076.db2.gz WMAWVZXJTHEDAA-NRFANRHFSA-N 2 1 353.510 4.089 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cc(F)ccc2F)[C@H](C)C1 ZINC000247923558 1124731527 /nfs/dbraw/zinc/73/15/27/1124731527.db2.gz BKZJOCHTPBGYPD-XPGWFJOJSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cc(F)ccc2F)[C@H](C)C1 ZINC000247923558 1124731536 /nfs/dbraw/zinc/73/15/36/1124731536.db2.gz BKZJOCHTPBGYPD-XPGWFJOJSA-N 2 1 354.485 4.143 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248161995 1124747930 /nfs/dbraw/zinc/74/79/30/1124747930.db2.gz SGYHSOYJXZZQMG-LPHOPBHVSA-N 2 1 373.566 4.006 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000248434432 1124768227 /nfs/dbraw/zinc/76/82/27/1124768227.db2.gz DWUJRNAHHQMPFX-SIKLNZKXSA-N 2 1 374.475 4.162 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000248453560 1124773457 /nfs/dbraw/zinc/77/34/57/1124773457.db2.gz QPBDILSMPIAEPJ-XLAORIBOSA-N 2 1 368.525 4.009 20 0 FIADMP Clc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168686007 1124823602 /nfs/dbraw/zinc/82/36/02/1124823602.db2.gz VLHCVJMGQBIHAN-UYAOXDASSA-N 2 1 354.925 4.309 20 0 FIADMP Cc1cnn(CCCCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000249502423 1124861770 /nfs/dbraw/zinc/86/17/70/1124861770.db2.gz XPAPQNFTGUMDSW-SGRGSNTQSA-N 2 1 368.569 4.108 20 0 FIADMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089595298 1124916043 /nfs/dbraw/zinc/91/60/43/1124916043.db2.gz JGPPAJHGWYDTTA-SFTDATJTSA-N 2 1 360.517 4.087 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619400 1125205129 /nfs/dbraw/zinc/20/51/29/1125205129.db2.gz AFBCYNRVSNONKR-BEFAXECRSA-N 2 1 369.896 4.261 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c1 ZINC000065976488 1125439548 /nfs/dbraw/zinc/43/95/48/1125439548.db2.gz BAKPLCXPFXIBMD-UHFFFAOYSA-N 2 1 360.505 4.274 20 0 FIADMP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000093563865 1125439729 /nfs/dbraw/zinc/43/97/29/1125439729.db2.gz FONUDCKOQSARRA-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000093563865 1125439733 /nfs/dbraw/zinc/43/97/33/1125439733.db2.gz FONUDCKOQSARRA-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000065976612 1125440244 /nfs/dbraw/zinc/44/02/44/1125440244.db2.gz AOPZGPQPGPVBFW-UHFFFAOYSA-N 2 1 356.510 4.224 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597713 1125452201 /nfs/dbraw/zinc/45/22/01/1125452201.db2.gz GMSRMPVBPVOLGV-FQEVSTJZSA-N 2 1 350.506 4.280 20 0 FIADMP c1cc2cc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)ccc2[nH]1 ZINC000563121647 568222624 /nfs/dbraw/zinc/22/26/24/568222624.db2.gz ADBKZOKJAPOGPV-QFIPXVFZSA-N 2 1 359.517 4.497 20 0 FIADMP c1cc2cc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)ccc2[nH]1 ZINC000563121647 568222625 /nfs/dbraw/zinc/22/26/25/568222625.db2.gz ADBKZOKJAPOGPV-QFIPXVFZSA-N 2 1 359.517 4.497 20 0 FIADMP Brc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390782473 568226783 /nfs/dbraw/zinc/22/67/83/568226783.db2.gz SBIDJOAKUZFYII-IBGZPJMESA-N 2 1 373.338 4.451 20 0 FIADMP Brc1ccc2c(NC3CC[NH+](CC4CC4)CC3)cc[nH+]c2c1 ZINC000604756932 568365099 /nfs/dbraw/zinc/36/50/99/568365099.db2.gz IWIBHWVBRHXTPN-UHFFFAOYSA-N 2 1 360.299 4.284 20 0 FIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1 ZINC001164419813 718893485 /nfs/dbraw/zinc/89/34/85/718893485.db2.gz RDBISPNAAPOEHH-VXKWHMMOSA-N 2 1 370.585 4.377 20 0 FIADMP COc1cc2c[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)cc2cc1OC ZINC001165047388 721976505 /nfs/dbraw/zinc/97/65/05/721976505.db2.gz FYTOELJUKFXZKC-IBGZPJMESA-N 2 1 369.509 4.097 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000765972585 1125516684 /nfs/dbraw/zinc/51/66/84/1125516684.db2.gz BEDDBMXOFLUIAX-XYJFISCASA-N 2 1 373.566 4.021 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)c1 ZINC000093961898 1125545574 /nfs/dbraw/zinc/54/55/74/1125545574.db2.gz GDMXMVSTHMFUOV-UHFFFAOYSA-N 2 1 368.550 4.279 20 0 FIADMP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000579746300 1079603580 /nfs/dbraw/zinc/60/35/80/1079603580.db2.gz HQUKXKRPXHRISW-YIONKMFJSA-N 2 1 361.436 4.206 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(c2ccccc2)CC1 ZINC000547743966 1080373892 /nfs/dbraw/zinc/37/38/92/1080373892.db2.gz DBHUTXHPHSIVKV-UNWXKSQRSA-N 2 1 356.554 4.144 20 0 FIADMP CC(C)[C@@H](CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001648791882 1080495682 /nfs/dbraw/zinc/49/56/82/1080495682.db2.gz CQSHYYJQVCOPJW-MDNUFGMLSA-N 2 1 357.586 4.168 20 0 FIADMP CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000089725042 1080686678 /nfs/dbraw/zinc/68/66/78/1080686678.db2.gz DLKNBZWQJYKNHO-OAQYLSRUSA-N 2 1 355.526 4.254 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000398108114 1080785593 /nfs/dbraw/zinc/78/55/93/1080785593.db2.gz BZKGGEZKGJTIKC-VSDWSMLSSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000398108114 1080785600 /nfs/dbraw/zinc/78/56/00/1080785600.db2.gz BZKGGEZKGJTIKC-VSDWSMLSSA-N 2 1 350.506 4.270 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117307 1080788834 /nfs/dbraw/zinc/78/88/34/1080788834.db2.gz GDRCECOQIDCALW-MQNAVGNWSA-N 2 1 350.506 4.183 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117307 1080788841 /nfs/dbraw/zinc/78/88/41/1080788841.db2.gz GDRCECOQIDCALW-MQNAVGNWSA-N 2 1 350.506 4.183 20 0 FIADMP CCC(CC)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000655703667 1081124679 /nfs/dbraw/zinc/12/46/79/1081124679.db2.gz SVQAMIDELJTTBA-ICSRJNTNSA-N 2 1 350.572 4.458 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(O)ccc2Br)C1 ZINC001648811130 1081125811 /nfs/dbraw/zinc/12/58/11/1081125811.db2.gz FGFAVANTHTVPOK-GASCZTMLSA-N 2 1 369.347 4.002 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1-c1ccccc1 ZINC000655755466 1081176125 /nfs/dbraw/zinc/17/61/25/1081176125.db2.gz BWONCKRUKWBCSM-JOCHJYFZSA-N 2 1 350.506 4.005 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758267 1081177705 /nfs/dbraw/zinc/17/77/05/1081177705.db2.gz VADBQGBXLSETSD-WMZOPIPTSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758267 1081177707 /nfs/dbraw/zinc/17/77/07/1081177707.db2.gz VADBQGBXLSETSD-WMZOPIPTSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758095 1081177919 /nfs/dbraw/zinc/17/79/19/1081177919.db2.gz QKGQYRIWJLSBCE-AZUAARDMSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758095 1081177923 /nfs/dbraw/zinc/17/79/23/1081177923.db2.gz QKGQYRIWJLSBCE-AZUAARDMSA-N 2 1 366.553 4.232 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851017 1081261312 /nfs/dbraw/zinc/26/13/12/1081261312.db2.gz AFYYQVGFAASVRR-RTWAWAEBSA-N 2 1 354.538 4.265 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851017 1081261319 /nfs/dbraw/zinc/26/13/19/1081261319.db2.gz AFYYQVGFAASVRR-RTWAWAEBSA-N 2 1 354.538 4.265 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3cc(F)ccc3o2)cc1F ZINC001648903503 1081359656 /nfs/dbraw/zinc/35/96/56/1081359656.db2.gz PBBPGUHPXIHVGC-UHFFFAOYSA-N 2 1 353.372 4.495 20 0 FIADMP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc2ccccc21 ZINC001167325463 1081404150 /nfs/dbraw/zinc/40/41/50/1081404150.db2.gz BTXVABYKOHKMRM-RDPSFJRHSA-N 2 1 366.549 4.461 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5cccnc54)C[C@@H]3C2)cc1 ZINC000312614218 1081459422 /nfs/dbraw/zinc/45/94/22/1081459422.db2.gz GEBXRVCSAWITEM-GGAORHGYSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)cc1 ZINC000312614218 1081459425 /nfs/dbraw/zinc/45/94/25/1081459425.db2.gz GEBXRVCSAWITEM-GGAORHGYSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)cc1 ZINC000312614218 1081459426 /nfs/dbraw/zinc/45/94/26/1081459426.db2.gz GEBXRVCSAWITEM-GGAORHGYSA-N 2 1 357.501 4.189 20 0 FIADMP C[N@@H+](CCN1CC[NH+](Cc2cccc3ccccc32)CC1)Cc1ccccc1 ZINC001167336782 1081468552 /nfs/dbraw/zinc/46/85/52/1081468552.db2.gz BFSYBTIQGHYJHF-UHFFFAOYSA-N 2 1 373.544 4.089 20 0 FIADMP c1coc(-c2ncc(CNC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)s2)c1 ZINC000683767622 1081526015 /nfs/dbraw/zinc/52/60/15/1081526015.db2.gz XMRMCQNFZNLWBD-SFHVURJKSA-N 2 1 367.518 4.405 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)s2)c1 ZINC000683767622 1081526019 /nfs/dbraw/zinc/52/60/19/1081526019.db2.gz XMRMCQNFZNLWBD-SFHVURJKSA-N 2 1 367.518 4.405 20 0 FIADMP C[N@@H+]1CC[C@@H](NCc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174940 1081733112 /nfs/dbraw/zinc/73/31/12/1081733112.db2.gz WYSXDTOWVFCAGJ-WBVHZDCISA-N 2 1 365.340 4.436 20 0 FIADMP C[N@H+]1CC[C@@H](NCc2cc(Br)cs2)C[C@H]1c1ccccc1 ZINC000580174940 1081733119 /nfs/dbraw/zinc/73/31/19/1081733119.db2.gz WYSXDTOWVFCAGJ-WBVHZDCISA-N 2 1 365.340 4.436 20 0 FIADMP CCN(C(=O)c1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000580442652 1081949263 /nfs/dbraw/zinc/94/92/63/1081949263.db2.gz KWHXTBRCXLIVIB-SPEDKVCISA-N 2 1 365.521 4.004 20 0 FIADMP Clc1ccc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001167421606 1082035281 /nfs/dbraw/zinc/03/52/81/1082035281.db2.gz YBCKOOMBBBIMSN-NRFANRHFSA-N 2 1 370.924 4.162 20 0 FIADMP Clc1ccc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001167421606 1082035283 /nfs/dbraw/zinc/03/52/83/1082035283.db2.gz YBCKOOMBBBIMSN-NRFANRHFSA-N 2 1 370.924 4.162 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000580743943 1082118088 /nfs/dbraw/zinc/11/80/88/1082118088.db2.gz SJOJMBJQMFCGEZ-OAQYLSRUSA-N 2 1 354.542 4.164 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000580743943 1082118089 /nfs/dbraw/zinc/11/80/89/1082118089.db2.gz SJOJMBJQMFCGEZ-OAQYLSRUSA-N 2 1 354.542 4.164 20 0 FIADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000580745972 1082120042 /nfs/dbraw/zinc/12/00/42/1082120042.db2.gz DBSABHFRJRYEOS-OYRHEFFESA-N 2 1 371.613 4.017 20 0 FIADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180836291 1082159969 /nfs/dbraw/zinc/15/99/69/1082159969.db2.gz JFDSIGQRUYFRGM-UHFFFAOYSA-N 2 1 366.461 4.302 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000580890675 1082207970 /nfs/dbraw/zinc/20/79/70/1082207970.db2.gz OWAHVXDELALJSZ-GCJKJVERSA-N 2 1 365.521 4.480 20 0 FIADMP CC(C)NC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000127967599 1082287310 /nfs/dbraw/zinc/28/73/10/1082287310.db2.gz SJVWOSYFMYJPGR-UHFFFAOYSA-N 2 1 372.557 4.103 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000581251828 1082408863 /nfs/dbraw/zinc/40/88/63/1082408863.db2.gz YBBHWZXMYPGUDO-JTQLQIEISA-N 2 1 368.706 4.115 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCCCCC1 ZINC000510389886 1082477450 /nfs/dbraw/zinc/47/74/50/1082477450.db2.gz UHKABTCRXCCKQB-MOPGFXCFSA-N 2 1 357.542 4.264 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1scnc1C1CC1 ZINC000581429537 1082571801 /nfs/dbraw/zinc/57/18/01/1082571801.db2.gz PQYOHUZEVONNKQ-RBUKOAKNSA-N 2 1 355.551 4.193 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574976 1082672253 /nfs/dbraw/zinc/67/22/53/1082672253.db2.gz WQRRPOGTESFBRC-AUSIDOKSSA-N 2 1 352.522 4.223 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171284 1082772577 /nfs/dbraw/zinc/77/25/77/1082772577.db2.gz DWSYSRXXEMEJEB-FYYLOGMGSA-N 2 1 369.597 4.285 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171284 1082772584 /nfs/dbraw/zinc/77/25/84/1082772584.db2.gz DWSYSRXXEMEJEB-FYYLOGMGSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171284 1082772590 /nfs/dbraw/zinc/77/25/90/1082772590.db2.gz DWSYSRXXEMEJEB-FYYLOGMGSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171284 1082772596 /nfs/dbraw/zinc/77/25/96/1082772596.db2.gz DWSYSRXXEMEJEB-FYYLOGMGSA-N 3 1 369.597 4.285 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647171284 1082772599 /nfs/dbraw/zinc/77/25/99/1082772599.db2.gz DWSYSRXXEMEJEB-FYYLOGMGSA-N 3 1 369.597 4.285 20 0 FIADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666475 1082783273 /nfs/dbraw/zinc/78/32/73/1082783273.db2.gz GCDPKCJGKDREOX-OXQOHEQNSA-N 2 1 353.510 4.009 20 0 FIADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666475 1082783278 /nfs/dbraw/zinc/78/32/78/1082783278.db2.gz GCDPKCJGKDREOX-OXQOHEQNSA-N 2 1 353.510 4.009 20 0 FIADMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000564456829 1082815304 /nfs/dbraw/zinc/81/53/04/1082815304.db2.gz BRCGSYYROIOQAT-LAUBAEHRSA-N 2 1 366.484 4.075 20 0 FIADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000564456829 1082815310 /nfs/dbraw/zinc/81/53/10/1082815310.db2.gz BRCGSYYROIOQAT-LAUBAEHRSA-N 2 1 366.484 4.075 20 0 FIADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000684394904 1082828349 /nfs/dbraw/zinc/82/83/49/1082828349.db2.gz OAHLTNVATQNGQA-WXFUMESZSA-N 2 1 363.549 4.213 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233716 1083003742 /nfs/dbraw/zinc/00/37/42/1083003742.db2.gz WHAGKSMAAXRLNI-IRXDYDNUSA-N 2 1 356.535 4.246 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233716 1083003747 /nfs/dbraw/zinc/00/37/47/1083003747.db2.gz WHAGKSMAAXRLNI-IRXDYDNUSA-N 2 1 356.535 4.246 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000190889692 1083025645 /nfs/dbraw/zinc/02/56/45/1083025645.db2.gz SBDCEOARYVEFJL-UHFFFAOYSA-N 2 1 351.288 4.172 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000190889692 1083025652 /nfs/dbraw/zinc/02/56/52/1083025652.db2.gz SBDCEOARYVEFJL-UHFFFAOYSA-N 2 1 351.288 4.172 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@@H](C)C1 ZINC000430758016 1083146030 /nfs/dbraw/zinc/14/60/30/1083146030.db2.gz YHQTVEOAHDYVQP-OWCBBSPXSA-N 2 1 369.322 4.154 20 0 FIADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430923397 1083237774 /nfs/dbraw/zinc/23/77/74/1083237774.db2.gz DKQZXKQFIUWPSC-SFHVURJKSA-N 2 1 361.549 4.015 20 0 FIADMP Cc1cccc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430925464 1083238645 /nfs/dbraw/zinc/23/86/45/1083238645.db2.gz LSFDMVVHMZZLJW-HXUWFJFHSA-N 2 1 357.586 4.184 20 0 FIADMP Cc1cccc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430925464 1083238647 /nfs/dbraw/zinc/23/86/47/1083238647.db2.gz LSFDMVVHMZZLJW-HXUWFJFHSA-N 3 1 357.586 4.184 20 0 FIADMP Cc1cccc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430925464 1083238649 /nfs/dbraw/zinc/23/86/49/1083238649.db2.gz LSFDMVVHMZZLJW-HXUWFJFHSA-N 3 1 357.586 4.184 20 0 FIADMP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1Cl ZINC000510703540 1083246950 /nfs/dbraw/zinc/24/69/50/1083246950.db2.gz OKAFFCMBBXIINR-SJORKVTESA-N 2 1 350.934 4.270 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H]3CCCF)CC2)cs1 ZINC000510720803 1083260863 /nfs/dbraw/zinc/26/08/63/1083260863.db2.gz LWQVRFZPSNLQRK-MJGOQNOKSA-N 2 1 367.578 4.426 20 0 FIADMP CCOC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658318692 1083406332 /nfs/dbraw/zinc/40/63/32/1083406332.db2.gz SDLCTOMDGZPNBT-HWELCPFYSA-N 2 1 356.554 4.226 20 0 FIADMP COCC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485786 1083479149 /nfs/dbraw/zinc/47/91/49/1083479149.db2.gz DLAJICQHHICWCY-NRSPTQNISA-N 2 1 356.510 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485786 1083479155 /nfs/dbraw/zinc/47/91/55/1083479155.db2.gz DLAJICQHHICWCY-NRSPTQNISA-N 2 1 356.510 4.166 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000510930637 1083492378 /nfs/dbraw/zinc/49/23/78/1083492378.db2.gz HNPBIOFQWXASDE-QGZVFWFLSA-N 2 1 366.278 4.224 20 0 FIADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)sc1C ZINC000535673568 1083569150 /nfs/dbraw/zinc/56/91/50/1083569150.db2.gz AFGMKSRIJLOJGY-UHFFFAOYSA-N 2 1 355.551 4.248 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000584320844 1083582794 /nfs/dbraw/zinc/58/27/94/1083582794.db2.gz OVMYSXPHTJIVIY-UHFFFAOYSA-N 2 1 355.313 4.134 20 0 FIADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc[nH]1 ZINC000375847102 1083681306 /nfs/dbraw/zinc/68/13/06/1083681306.db2.gz ABPRSOQHTKBHBB-QNBCLJFBSA-N 2 1 358.917 4.328 20 0 FIADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc[nH]1 ZINC000375847102 1083681310 /nfs/dbraw/zinc/68/13/10/1083681310.db2.gz ABPRSOQHTKBHBB-QNBCLJFBSA-N 2 1 358.917 4.328 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000535813178 1083685152 /nfs/dbraw/zinc/68/51/52/1083685152.db2.gz MQCHCRFCDQCQKV-UHFFFAOYSA-N 2 1 360.933 4.282 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2)s1 ZINC000535807966 1083693599 /nfs/dbraw/zinc/69/35/99/1083693599.db2.gz KKAUJRGCUBGBLF-MISYRCLQSA-N 2 1 374.525 4.238 20 0 FIADMP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181139705 1083811544 /nfs/dbraw/zinc/81/15/44/1083811544.db2.gz ZKDBSLCCIPEGMP-KSZLIROESA-N 2 1 371.525 4.100 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000510991184 1083860148 /nfs/dbraw/zinc/86/01/48/1083860148.db2.gz GZWCWYXQDGZUPE-CQSZACIVSA-N 2 1 357.889 4.080 20 0 FIADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccc1OC ZINC000065976661 1083904386 /nfs/dbraw/zinc/90/43/86/1083904386.db2.gz NQUOXKNSASDNPT-UHFFFAOYSA-N 2 1 356.510 4.224 20 0 FIADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000570318244 1084027891 /nfs/dbraw/zinc/02/78/91/1084027891.db2.gz DYZCJBFWWOMWFR-UHFFFAOYSA-N 2 1 355.526 4.051 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000511376068 1084054831 /nfs/dbraw/zinc/05/48/31/1084054831.db2.gz FQVIYLVNXYKDRF-HXUWFJFHSA-N 2 1 354.885 4.204 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014953 1084173372 /nfs/dbraw/zinc/17/33/72/1084173372.db2.gz SPSSPBHOMCGKDX-AVRDEDQJSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014953 1084173380 /nfs/dbraw/zinc/17/33/80/1084173380.db2.gz SPSSPBHOMCGKDX-AVRDEDQJSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014955 1084173881 /nfs/dbraw/zinc/17/38/81/1084173881.db2.gz SPSSPBHOMCGKDX-PGRDOPGGSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(CO)c1 ZINC000511014955 1084173886 /nfs/dbraw/zinc/17/38/86/1084173886.db2.gz SPSSPBHOMCGKDX-PGRDOPGGSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055557 1084378171 /nfs/dbraw/zinc/37/81/71/1084378171.db2.gz CQORJYUSHVHLJY-ROUUACIJSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055557 1084378185 /nfs/dbraw/zinc/37/81/85/1084378185.db2.gz CQORJYUSHVHLJY-ROUUACIJSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055557 1084378202 /nfs/dbraw/zinc/37/82/02/1084378202.db2.gz CQORJYUSHVHLJY-ROUUACIJSA-N 2 1 352.526 4.055 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000414085904 1084496500 /nfs/dbraw/zinc/49/65/00/1084496500.db2.gz YXURFMGFIIIYFW-RTBURBONSA-N 2 1 368.521 4.075 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000414085904 1084496507 /nfs/dbraw/zinc/49/65/07/1084496507.db2.gz YXURFMGFIIIYFW-RTBURBONSA-N 2 1 368.521 4.075 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000511498325 1084664805 /nfs/dbraw/zinc/66/48/05/1084664805.db2.gz XZWVGMGQPQWFSW-SIKLNZKXSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000511498325 1084664810 /nfs/dbraw/zinc/66/48/10/1084664810.db2.gz XZWVGMGQPQWFSW-SIKLNZKXSA-N 2 1 374.532 4.230 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC23CC3)cc1 ZINC000582121712 1084670327 /nfs/dbraw/zinc/67/03/27/1084670327.db2.gz CZGSBXURGLBGRE-MZURWIMNSA-N 2 1 358.529 4.359 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC23CC3)cc1 ZINC000582121712 1084670333 /nfs/dbraw/zinc/67/03/33/1084670333.db2.gz CZGSBXURGLBGRE-MZURWIMNSA-N 2 1 358.529 4.359 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414181099 1084751729 /nfs/dbraw/zinc/75/17/29/1084751729.db2.gz MMPTYFPHZBNBLK-LPHOPBHVSA-N 2 1 357.567 4.425 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414181543 1084752196 /nfs/dbraw/zinc/75/21/96/1084752196.db2.gz MMPTYFPHZBNBLK-QFBILLFUSA-N 2 1 357.567 4.425 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C)C1 ZINC000414183705 1084760809 /nfs/dbraw/zinc/76/08/09/1084760809.db2.gz OAXOWFHDWUTSNH-VVWQDTPRSA-N 2 1 368.924 4.062 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387168 1084845548 /nfs/dbraw/zinc/84/55/48/1084845548.db2.gz SFUNBFPNUKDIKO-OXJNMPFZSA-N 2 1 351.519 4.297 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387168 1084845551 /nfs/dbraw/zinc/84/55/51/1084845551.db2.gz SFUNBFPNUKDIKO-OXJNMPFZSA-N 2 1 351.519 4.297 20 0 FIADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414219985 1084846985 /nfs/dbraw/zinc/84/69/85/1084846985.db2.gz IKYNOWDUDYHSOF-DYRSVQDXSA-N 2 1 362.517 4.084 20 0 FIADMP CC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000414272613 1084952030 /nfs/dbraw/zinc/95/20/30/1084952030.db2.gz QFZDBMOATSJBLH-HNNXBMFYSA-N 2 1 360.439 4.401 20 0 FIADMP COCc1csc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000657415572 1084957676 /nfs/dbraw/zinc/95/76/76/1084957676.db2.gz LAFINQVDDKSEHK-HKUYNNGSSA-N 2 1 358.551 4.285 20 0 FIADMP COCc1csc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000657415573 1084958014 /nfs/dbraw/zinc/95/80/14/1084958014.db2.gz LAFINQVDDKSEHK-IEBWSBKVSA-N 2 1 358.551 4.285 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167572888 1084985856 /nfs/dbraw/zinc/98/58/56/1084985856.db2.gz RBXYNYQPXKJPCL-QPPBQGQZSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167572888 1084985857 /nfs/dbraw/zinc/98/58/57/1084985857.db2.gz RBXYNYQPXKJPCL-QPPBQGQZSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572888 1084985859 /nfs/dbraw/zinc/98/58/59/1084985859.db2.gz RBXYNYQPXKJPCL-QPPBQGQZSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572888 1084985865 /nfs/dbraw/zinc/98/58/65/1084985865.db2.gz RBXYNYQPXKJPCL-QPPBQGQZSA-N 2 1 365.565 4.498 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000472584088 1085049913 /nfs/dbraw/zinc/04/99/13/1085049913.db2.gz GOVNTAOTMZVGSZ-QDGLUTFLSA-N 2 1 369.597 4.361 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2cccc3ccccc32)C1 ZINC000472231010 1085133795 /nfs/dbraw/zinc/13/37/95/1085133795.db2.gz IBQDRRUBWOQRKF-FQEVSTJZSA-N 2 1 352.522 4.272 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000472231010 1085133799 /nfs/dbraw/zinc/13/37/99/1085133799.db2.gz IBQDRRUBWOQRKF-FQEVSTJZSA-N 2 1 352.522 4.272 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000472231010 1085133806 /nfs/dbraw/zinc/13/38/06/1085133806.db2.gz IBQDRRUBWOQRKF-FQEVSTJZSA-N 2 1 352.522 4.272 20 0 FIADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)c(-c2ccccc2)cc1OC ZINC000048750427 1085193759 /nfs/dbraw/zinc/19/37/59/1085193759.db2.gz YBGFPKJCDGZBCR-UHFFFAOYSA-N 2 1 365.477 4.056 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000684928076 1085195912 /nfs/dbraw/zinc/19/59/12/1085195912.db2.gz YQVCYVVFHVGJSS-SSGKUCQKSA-N 2 1 356.554 4.084 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000582614665 1085251284 /nfs/dbraw/zinc/25/12/84/1085251284.db2.gz ZHHAUGOFKGERDZ-DENIHFKCSA-N 2 1 366.553 4.009 20 0 FIADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651692167 1085376883 /nfs/dbraw/zinc/37/68/83/1085376883.db2.gz WHRVMPUSNWKFRC-KRWDZBQOSA-N 2 1 362.876 4.197 20 0 FIADMP O[C@H](C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161400972 1085684153 /nfs/dbraw/zinc/68/41/53/1085684153.db2.gz KUFUJPWLNSLKDW-RBUKOAKNSA-N 2 1 350.572 4.292 20 0 FIADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347825 1085919136 /nfs/dbraw/zinc/91/91/36/1085919136.db2.gz MVCNFROEBZHNDE-SDCOAXJVSA-N 2 1 357.325 4.273 20 0 FIADMP Cc1cc(N2CCC([NH2+]Cc3csc(Cl)c3Cl)CC2)nc(C)[nH+]1 ZINC000432250425 1085960464 /nfs/dbraw/zinc/96/04/64/1085960464.db2.gz JZPUWXHTUGTJHO-UHFFFAOYSA-N 2 1 371.337 4.220 20 0 FIADMP Cc1cc(N2CCC([NH2+]C[C@@H](C)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000188271066 1086289524 /nfs/dbraw/zinc/28/95/24/1086289524.db2.gz UQXOOOFYSFLBPF-CQSZACIVSA-N 2 1 358.917 4.109 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174401 1086351973 /nfs/dbraw/zinc/35/19/73/1086351973.db2.gz AWZXJHNAOQRLAK-QNPCKFRZSA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174401 1086351983 /nfs/dbraw/zinc/35/19/83/1086351983.db2.gz AWZXJHNAOQRLAK-QNPCKFRZSA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174401 1086351992 /nfs/dbraw/zinc/35/19/92/1086351992.db2.gz AWZXJHNAOQRLAK-QNPCKFRZSA-N 2 1 352.469 4.353 20 0 FIADMP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001167658185 1086377073 /nfs/dbraw/zinc/37/70/73/1086377073.db2.gz CIRPTGXYDUSHSU-MJGOQNOKSA-N 2 1 352.563 4.083 20 0 FIADMP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001167658185 1086377086 /nfs/dbraw/zinc/37/70/86/1086377086.db2.gz CIRPTGXYDUSHSU-MJGOQNOKSA-N 2 1 352.563 4.083 20 0 FIADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293730 1086398897 /nfs/dbraw/zinc/39/88/97/1086398897.db2.gz MMNVSZOITBJOGU-ZBFHGGJFSA-N 2 1 362.468 4.204 20 0 FIADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000662328164 1086418371 /nfs/dbraw/zinc/41/83/71/1086418371.db2.gz ZLDKJNBJFSOGKF-UHFFFAOYSA-N 2 1 374.532 4.410 20 0 FIADMP Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000662504874 1086474818 /nfs/dbraw/zinc/47/48/18/1086474818.db2.gz GKERALXLSIECDU-JOCHJYFZSA-N 2 1 364.537 4.151 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441524 1086544623 /nfs/dbraw/zinc/54/46/23/1086544623.db2.gz UWIPZSCVWUMYBS-IVMMDQJWSA-N 2 1 369.372 4.448 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441524 1086544627 /nfs/dbraw/zinc/54/46/27/1086544627.db2.gz UWIPZSCVWUMYBS-IVMMDQJWSA-N 2 1 369.372 4.448 20 0 FIADMP c1csc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663467045 1086568995 /nfs/dbraw/zinc/56/89/95/1086568995.db2.gz ZFCATSARAAPNIX-WOJBJXKFSA-N 2 1 355.551 4.139 20 0 FIADMP Cc1ccccc1-c1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751772 1086572384 /nfs/dbraw/zinc/57/23/84/1086572384.db2.gz KBDHLNHEOAHOTJ-OAQYLSRUSA-N 2 1 350.506 4.005 20 0 FIADMP Clc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000657752813 1086580476 /nfs/dbraw/zinc/58/04/76/1086580476.db2.gz RVTZPSKBELEJSG-QFIPXVFZSA-N 2 1 370.924 4.350 20 0 FIADMP C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989780 1086582072 /nfs/dbraw/zinc/58/20/72/1086582072.db2.gz MEOUPPNUBBRVBC-FFJFPXHCSA-N 2 1 356.460 4.478 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001167821045 1086583311 /nfs/dbraw/zinc/58/33/11/1086583311.db2.gz ACYRDDYXGDDIOA-WWNPGLIZSA-N 2 1 373.585 4.211 20 0 FIADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000663478037 1086585652 /nfs/dbraw/zinc/58/56/52/1086585652.db2.gz JVXCNENGXMQROB-NRFANRHFSA-N 2 1 362.533 4.117 20 0 FIADMP C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccccc3Cl)o2)CCCO1 ZINC000432361200 1086659813 /nfs/dbraw/zinc/65/98/13/1086659813.db2.gz YPXMKUSDIBVROV-INIZCTEOSA-N 2 1 362.901 4.191 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000512025341 1086662228 /nfs/dbraw/zinc/66/22/28/1086662228.db2.gz PVDKNWLKTKMYLN-FQEVSTJZSA-N 2 1 365.546 4.321 20 0 FIADMP C[C@H]1C[C@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000525641291 1086669127 /nfs/dbraw/zinc/66/91/27/1086669127.db2.gz ICHJBCDEXATZJG-PKOBYXMFSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@H]1C[C@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641291 1086669129 /nfs/dbraw/zinc/66/91/29/1086669129.db2.gz ICHJBCDEXATZJG-PKOBYXMFSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@H]1C[C@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000525641291 1086669131 /nfs/dbraw/zinc/66/91/31/1086669131.db2.gz ICHJBCDEXATZJG-PKOBYXMFSA-N 2 1 372.557 4.055 20 0 FIADMP C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941299 1086722618 /nfs/dbraw/zinc/72/26/18/1086722618.db2.gz TULDZLGIEAROIT-TZIWHRDSSA-N 2 1 350.506 4.241 20 0 FIADMP C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001648941299 1086722622 /nfs/dbraw/zinc/72/26/22/1086722622.db2.gz TULDZLGIEAROIT-TZIWHRDSSA-N 2 1 350.506 4.241 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413228 1086736603 /nfs/dbraw/zinc/73/66/03/1086736603.db2.gz LMBGGSLROUUIKV-DNVCBOLYSA-N 2 1 370.459 4.247 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417744 1086741420 /nfs/dbraw/zinc/74/14/20/1086741420.db2.gz OCUPKKHYLDFVPP-HOTGVXAUSA-N 2 1 372.525 4.195 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417744 1086741424 /nfs/dbraw/zinc/74/14/24/1086741424.db2.gz OCUPKKHYLDFVPP-HOTGVXAUSA-N 2 1 372.525 4.195 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000650705405 1086749180 /nfs/dbraw/zinc/74/91/80/1086749180.db2.gz GFJGPMZVMVFFFL-YTFSRNRJSA-N 2 1 350.506 4.072 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432424575 1086749240 /nfs/dbraw/zinc/74/92/40/1086749240.db2.gz PGUFCYTUUKMARB-NQIIRXRSSA-N 2 1 360.542 4.114 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001167842414 1086752016 /nfs/dbraw/zinc/75/20/16/1086752016.db2.gz WYQZOYYRKSAQKT-NQIIRXRSSA-N 2 1 374.569 4.266 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001167842414 1086752026 /nfs/dbraw/zinc/75/20/26/1086752026.db2.gz WYQZOYYRKSAQKT-NQIIRXRSSA-N 2 1 374.569 4.266 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)C1 ZINC000650706440 1086755816 /nfs/dbraw/zinc/75/58/16/1086755816.db2.gz KOJFAGDMBVZWKY-POAQFYNOSA-N 2 1 374.525 4.273 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428662 1086757063 /nfs/dbraw/zinc/75/70/63/1086757063.db2.gz MNJGTESTKRWADS-UGSOOPFHSA-N 2 1 357.325 4.071 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428662 1086757069 /nfs/dbraw/zinc/75/70/69/1086757069.db2.gz MNJGTESTKRWADS-UGSOOPFHSA-N 2 1 357.325 4.071 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449327 1086781174 /nfs/dbraw/zinc/78/11/74/1086781174.db2.gz VEBHWGPQDFNSLN-AHRSYUTCSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449327 1086781179 /nfs/dbraw/zinc/78/11/79/1086781179.db2.gz VEBHWGPQDFNSLN-AHRSYUTCSA-N 2 1 350.934 4.067 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000052442086 1086802207 /nfs/dbraw/zinc/80/22/07/1086802207.db2.gz JIEUUTGTZCMYCC-IBGZPJMESA-N 2 1 372.475 4.183 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000650722569 1086819183 /nfs/dbraw/zinc/81/91/83/1086819183.db2.gz WQFLPBYVCWGERB-ZLNRFVROSA-N 2 1 350.506 4.214 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000650723009 1086822148 /nfs/dbraw/zinc/82/21/48/1086822148.db2.gz GFEKJMSDILSTOL-RLLQIKCJSA-N 2 1 374.525 4.415 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250600 1086840560 /nfs/dbraw/zinc/84/05/60/1086840560.db2.gz WQXWGMOSVJQXKD-JMPAEIGWSA-N 2 1 370.562 4.128 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250600 1086840568 /nfs/dbraw/zinc/84/05/68/1086840568.db2.gz WQXWGMOSVJQXKD-JMPAEIGWSA-N 2 1 370.562 4.128 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170644 1086873062 /nfs/dbraw/zinc/87/30/62/1086873062.db2.gz SVOPCIGLCUBXNW-OALUTQOASA-N 2 1 352.526 4.163 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170644 1086873083 /nfs/dbraw/zinc/87/30/83/1086873083.db2.gz SVOPCIGLCUBXNW-OALUTQOASA-N 2 1 352.526 4.163 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170644 1086873100 /nfs/dbraw/zinc/87/31/00/1086873100.db2.gz SVOPCIGLCUBXNW-OALUTQOASA-N 2 1 352.526 4.163 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170644 1086873114 /nfs/dbraw/zinc/87/31/14/1086873114.db2.gz SVOPCIGLCUBXNW-OALUTQOASA-N 2 1 352.526 4.163 20 0 FIADMP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000583663670 1086907315 /nfs/dbraw/zinc/90/73/15/1086907315.db2.gz QEXOWUIFHAMUMQ-RBBKRZOGSA-N 2 1 368.569 4.287 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(c2ccccc2Br)CCC1 ZINC000650741803 1086919355 /nfs/dbraw/zinc/91/93/55/1086919355.db2.gz LRVPJDRJYIFMPG-AWEZNQCLSA-N 2 1 374.326 4.341 20 0 FIADMP CCn1c2ccccc2nc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000536140675 1086985165 /nfs/dbraw/zinc/98/51/65/1086985165.db2.gz MEEZFXOWSVQEOK-UHFFFAOYSA-N 2 1 368.569 4.390 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)CC2)oc1C ZINC000131490265 1087019184 /nfs/dbraw/zinc/01/91/84/1087019184.db2.gz PPZIQLDUJKEVPF-VXKWHMMOSA-N 2 1 367.537 4.429 20 0 FIADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)s2)o1 ZINC000092813393 1087105525 /nfs/dbraw/zinc/10/55/25/1087105525.db2.gz HBZGNCAZWKYAHU-INIZCTEOSA-N 2 1 368.506 4.349 20 0 FIADMP Cc1nc(C(C)C)oc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000428231265 1087158510 /nfs/dbraw/zinc/15/85/10/1087158510.db2.gz RAPNKARJTONXSR-UHFFFAOYSA-N 2 1 355.526 4.450 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000657843448 1087286031 /nfs/dbraw/zinc/28/60/31/1087286031.db2.gz FOTPKQTVOHRFSB-LLVKDONJSA-N 2 1 356.695 4.348 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]CCCn3cc[nH+]c3C)cc2cc1OC ZINC000657844863 1087290806 /nfs/dbraw/zinc/29/08/06/1087290806.db2.gz JJWANHQEOSLZCR-HNNXBMFYSA-N 2 1 353.466 4.103 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccsc2S1 ZINC000090525921 1087412090 /nfs/dbraw/zinc/41/20/90/1087412090.db2.gz AUHWETZUWZBBRD-RUGDWHBFSA-N 2 1 366.596 4.031 20 0 FIADMP CCC[N@H+](Cc1sccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417540 1087461269 /nfs/dbraw/zinc/46/12/69/1087461269.db2.gz DXMKNSCRRTVMTR-UHFFFAOYSA-N 2 1 374.554 4.045 20 0 FIADMP CCC[N@@H+](Cc1sccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417540 1087461272 /nfs/dbraw/zinc/46/12/72/1087461272.db2.gz DXMKNSCRRTVMTR-UHFFFAOYSA-N 2 1 374.554 4.045 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CCOCC1 ZINC000657883218 1087527139 /nfs/dbraw/zinc/52/71/39/1087527139.db2.gz QXCZWBNDGABPAR-IEBWSBKVSA-N 2 1 350.934 4.067 20 0 FIADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000657899534 1087593780 /nfs/dbraw/zinc/59/37/80/1087593780.db2.gz XCARSWGQGKEZDX-LJQANCHMSA-N 2 1 352.950 4.140 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3cccs3)C3CCCC3)cc2)C1 ZINC000658140406 1087733624 /nfs/dbraw/zinc/73/36/24/1087733624.db2.gz QOBDEHGQNQIKBY-IRLDBZIGSA-N 2 1 370.562 4.336 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143215 1087735002 /nfs/dbraw/zinc/73/50/02/1087735002.db2.gz XSORSJHFQDGXHX-FXAWDEMLSA-N 2 1 370.562 4.216 20 0 FIADMP CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658143152 1087735298 /nfs/dbraw/zinc/73/52/98/1087735298.db2.gz XBLBTDVJRHGEAL-JPYJTQIMSA-N 2 1 352.522 4.057 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(Cl)cc3)C3CC3)cc2)C1 ZINC000658137314 1087742021 /nfs/dbraw/zinc/74/20/21/1087742021.db2.gz GLCRBVPOYFJVAR-YADHBBJMSA-N 2 1 370.924 4.148 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000548861104 1087769974 /nfs/dbraw/zinc/76/99/74/1087769974.db2.gz GYYMNLUFYOGXFK-JQVVWYNYSA-N 2 1 356.554 4.213 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)[C@@H](C)C1 ZINC000658186755 1087774614 /nfs/dbraw/zinc/77/46/14/1087774614.db2.gz CQPRGSSPLIHKML-AFAVFJNCSA-N 2 1 369.372 4.057 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)[C@@H](C)C1 ZINC000658186755 1087774625 /nfs/dbraw/zinc/77/46/25/1087774625.db2.gz CQPRGSSPLIHKML-AFAVFJNCSA-N 2 1 369.372 4.057 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)[C@@H](C)C1 ZINC000658186782 1087775210 /nfs/dbraw/zinc/77/52/10/1087775210.db2.gz CQPRGSSPLIHKML-ZLIFDBKOSA-N 2 1 369.372 4.057 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)[C@@H](C)C1 ZINC000658186782 1087775221 /nfs/dbraw/zinc/77/52/21/1087775221.db2.gz CQPRGSSPLIHKML-ZLIFDBKOSA-N 2 1 369.372 4.057 20 0 FIADMP Cc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000424285562 1087896030 /nfs/dbraw/zinc/89/60/30/1087896030.db2.gz FUIZDTCXDUUAPU-AWEZNQCLSA-N 2 1 359.901 4.267 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424378690 1087964251 /nfs/dbraw/zinc/96/42/51/1087964251.db2.gz NKVWQVHBASVZJD-OAHLLOKOSA-N 2 1 366.933 4.101 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000659284812 1088421827 /nfs/dbraw/zinc/42/18/27/1088421827.db2.gz HQIDJRNTLLIJSR-HTAPYJJXSA-N 2 1 363.505 4.092 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4c3cccc4F)CC2)cs1 ZINC000513870867 1088475495 /nfs/dbraw/zinc/47/54/95/1088475495.db2.gz HEIQIJBZTIWOJA-HXUWFJFHSA-N 2 1 373.541 4.334 20 0 FIADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)Cc3ccccc32)cc1 ZINC000505412604 1088541564 /nfs/dbraw/zinc/54/15/64/1088541564.db2.gz BRHFGEGSFGDEJU-UHFFFAOYSA-N 2 1 365.521 4.011 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)Cc3ccccc32)cc1 ZINC000505412604 1088541581 /nfs/dbraw/zinc/54/15/81/1088541581.db2.gz BRHFGEGSFGDEJU-UHFFFAOYSA-N 2 1 365.521 4.011 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000505412604 1088541595 /nfs/dbraw/zinc/54/15/95/1088541595.db2.gz BRHFGEGSFGDEJU-UHFFFAOYSA-N 2 1 365.521 4.011 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000505412604 1088541599 /nfs/dbraw/zinc/54/15/99/1088541599.db2.gz BRHFGEGSFGDEJU-UHFFFAOYSA-N 2 1 365.521 4.011 20 0 FIADMP Cc1cn2c(C[NH2+]C[C@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000311568692 1088733708 /nfs/dbraw/zinc/73/37/08/1088733708.db2.gz ZOZYUTLLZQFBKY-NRFANRHFSA-N 2 1 368.550 4.014 20 0 FIADMP Cc1cn2c(C[NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000311568692 1088733722 /nfs/dbraw/zinc/73/37/22/1088733722.db2.gz ZOZYUTLLZQFBKY-NRFANRHFSA-N 2 1 368.550 4.014 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000514090567 1088736579 /nfs/dbraw/zinc/73/65/79/1088736579.db2.gz VLBBGXOMWHMGAV-KMDXXIMOSA-N 2 1 364.533 4.366 20 0 FIADMP c1c[nH]c([C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C2CCCCC2)n1 ZINC000514092662 1088740711 /nfs/dbraw/zinc/74/07/11/1088740711.db2.gz GBTGBYMRLDOCKK-NRFANRHFSA-N 2 1 352.526 4.417 20 0 FIADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000514249491 1088929179 /nfs/dbraw/zinc/92/91/79/1088929179.db2.gz GUQOJAXHWFJOFI-TWMGVTGTSA-N 2 1 370.924 4.100 20 0 FIADMP Fc1cccc(Cl)c1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686009 1088945101 /nfs/dbraw/zinc/94/51/01/1088945101.db2.gz SRHKDIBLJOYUEU-UHFFFAOYSA-N 2 1 361.892 4.434 20 0 FIADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2cc(N)ccc2O1 ZINC000415023000 1089062746 /nfs/dbraw/zinc/06/27/46/1089062746.db2.gz CTECLJLHDMUUFP-NRFANRHFSA-N 2 1 365.521 4.125 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Oc1cccnc1 ZINC000415055572 1089102000 /nfs/dbraw/zinc/10/20/00/1089102000.db2.gz RGEATKAOHIKKAO-PZJWPPBQSA-N 2 1 351.494 4.146 20 0 FIADMP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415074773 1089126175 /nfs/dbraw/zinc/12/61/75/1089126175.db2.gz ATOOSAASZFOYBH-HKUYNNGSSA-N 2 1 364.411 4.211 20 0 FIADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415087333 1089146401 /nfs/dbraw/zinc/14/64/01/1089146401.db2.gz VZVBTVVYAPICLB-WOJBJXKFSA-N 2 1 368.521 4.064 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)CC1 ZINC000415095980 1089152929 /nfs/dbraw/zinc/15/29/29/1089152929.db2.gz AEBMWSMYHXMXKI-NFJGTOLLSA-N 3 1 355.570 4.112 20 0 FIADMP C[C@@H](CC1CCOCC1)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424758 1089641100 /nfs/dbraw/zinc/64/11/00/1089641100.db2.gz ALLWPVVKIBTRRC-FXAWDEMLSA-N 2 1 362.583 4.145 20 0 FIADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414872620 1089891652 /nfs/dbraw/zinc/89/16/52/1089891652.db2.gz FZKZZXVWUXXWKD-PKTZIBPZSA-N 2 1 367.537 4.274 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000188103629 1090164122 /nfs/dbraw/zinc/16/41/22/1090164122.db2.gz KQFGBFMUDHNMIO-JTQLQIEISA-N 2 1 365.237 4.213 20 0 FIADMP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376736 1090349071 /nfs/dbraw/zinc/34/90/71/1090349071.db2.gz QSEHEKCIXZMVOZ-FZKQIMNGSA-N 2 1 352.494 4.453 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511572895 1090467772 /nfs/dbraw/zinc/46/77/72/1090467772.db2.gz FZPRMIOQCACPDW-KRWDZBQOSA-N 2 1 353.388 4.221 20 0 FIADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC001207479931 1090543492 /nfs/dbraw/zinc/54/34/92/1090543492.db2.gz PPILKJDOOJAJQJ-SFHVURJKSA-N 2 1 351.332 4.318 20 0 FIADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312429948 1090718600 /nfs/dbraw/zinc/71/86/00/1090718600.db2.gz IBQRLTRSVLGVAN-WZONZLPQSA-N 2 1 365.521 4.208 20 0 FIADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c(C)c1OC ZINC000584802777 1090904720 /nfs/dbraw/zinc/90/47/20/1090904720.db2.gz LGISMNAKVFOGRL-UHFFFAOYSA-N 2 1 356.510 4.142 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000388298726 1090972483 /nfs/dbraw/zinc/97/24/83/1090972483.db2.gz ZUDGPSDVUNCQNC-UHFFFAOYSA-N 2 1 352.522 4.476 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000072727097 1090998949 /nfs/dbraw/zinc/99/89/49/1090998949.db2.gz PASSKPZUXCNACD-UHFFFAOYSA-N 2 1 374.550 4.300 20 0 FIADMP Cc1cccc([C@@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1C ZINC000500069917 1091021398 /nfs/dbraw/zinc/02/13/98/1091021398.db2.gz KZOVRDIHAPDRNT-QHCPKHFHSA-N 2 1 357.586 4.247 20 0 FIADMP CCn1cncc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418076488 1091048580 /nfs/dbraw/zinc/04/85/80/1091048580.db2.gz JOIPEZQWNAUSHL-QFIPXVFZSA-N 2 1 366.553 4.026 20 0 FIADMP Cc1ccc(CSCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000500123474 1091050349 /nfs/dbraw/zinc/05/03/49/1091050349.db2.gz QEEGKPPIEJWCTO-UHFFFAOYSA-N 2 1 354.563 4.482 20 0 FIADMP CCOCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136930301 1091276888 /nfs/dbraw/zinc/27/68/88/1091276888.db2.gz HQOYICMHCGLDLG-UHFFFAOYSA-N 2 1 358.448 4.028 20 0 FIADMP CCOCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136930301 1091276892 /nfs/dbraw/zinc/27/68/92/1091276892.db2.gz HQOYICMHCGLDLG-UHFFFAOYSA-N 2 1 358.448 4.028 20 0 FIADMP C[C@@H](CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656571 1091371422 /nfs/dbraw/zinc/37/14/22/1091371422.db2.gz KVOITIOBIJODJG-REWPJTCUSA-N 2 1 352.522 4.061 20 0 FIADMP C[C@@H](CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656571 1091371441 /nfs/dbraw/zinc/37/14/41/1091371441.db2.gz KVOITIOBIJODJG-REWPJTCUSA-N 2 1 352.522 4.061 20 0 FIADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511751892 1091616589 /nfs/dbraw/zinc/61/65/89/1091616589.db2.gz BCQYLWAOANJNQM-SMIHKQSGSA-N 2 1 373.500 4.185 20 0 FIADMP C[C@@H](c1nc2ccccc2o1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236289 1091944631 /nfs/dbraw/zinc/94/46/31/1091944631.db2.gz GJJOHFLJARPCAI-FDDCHVKYSA-N 2 1 361.489 4.487 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-n2cccn2)cc1 ZINC000512317910 1092029427 /nfs/dbraw/zinc/02/94/27/1092029427.db2.gz HDSVJUKWNIPNKW-BJLQDIEVSA-N 2 1 352.526 4.176 20 0 FIADMP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1F ZINC000500467283 1092103319 /nfs/dbraw/zinc/10/33/19/1092103319.db2.gz FNOJRKXTNDPGNU-XUTJKUGGSA-N 2 1 368.496 4.335 20 0 FIADMP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCCCC2)cc1OC ZINC000246081005 1092325539 /nfs/dbraw/zinc/32/55/39/1092325539.db2.gz BZEZPADFFCQAQH-PMACEKPBSA-N 2 1 372.553 4.122 20 0 FIADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306333 1092633201 /nfs/dbraw/zinc/63/32/01/1092633201.db2.gz JUQXSHKGYUQPAQ-KRWDZBQOSA-N 2 1 374.550 4.076 20 0 FIADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306333 1092633208 /nfs/dbraw/zinc/63/32/08/1092633208.db2.gz JUQXSHKGYUQPAQ-KRWDZBQOSA-N 2 1 374.550 4.076 20 0 FIADMP COc1c(F)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001143533474 1092700373 /nfs/dbraw/zinc/70/03/73/1092700373.db2.gz CIGIWDCLJQWVRQ-UXHICEINSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001143533474 1092700380 /nfs/dbraw/zinc/70/03/80/1092700380.db2.gz CIGIWDCLJQWVRQ-UXHICEINSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001143533474 1092700391 /nfs/dbraw/zinc/70/03/91/1092700391.db2.gz CIGIWDCLJQWVRQ-UXHICEINSA-N 2 1 368.496 4.178 20 0 FIADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514022 1092734780 /nfs/dbraw/zinc/73/47/80/1092734780.db2.gz FVPDYZSUHKLJOK-CRAIPNDOSA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514022 1092734785 /nfs/dbraw/zinc/73/47/85/1092734785.db2.gz FVPDYZSUHKLJOK-CRAIPNDOSA-N 2 1 361.942 4.380 20 0 FIADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000521514022 1092734786 /nfs/dbraw/zinc/73/47/86/1092734786.db2.gz FVPDYZSUHKLJOK-CRAIPNDOSA-N 2 1 361.942 4.380 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442793816 1092770113 /nfs/dbraw/zinc/77/01/13/1092770113.db2.gz SDIHCFQJVHVAFX-QAPCUYQASA-N 2 1 356.473 4.480 20 0 FIADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2)cc1 ZINC000442868481 1092814390 /nfs/dbraw/zinc/81/43/90/1092814390.db2.gz CIZYMWUVTQWTBI-LJQANCHMSA-N 2 1 351.538 4.030 20 0 FIADMP CC(C)C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442870810 1092818351 /nfs/dbraw/zinc/81/83/51/1092818351.db2.gz ABQRIRBIZOSNSK-IBGZPJMESA-N 2 1 351.966 4.043 20 0 FIADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442873286 1092820371 /nfs/dbraw/zinc/82/03/71/1092820371.db2.gz KFFOPCSKOMERAG-QGZVFWFLSA-N 2 1 358.357 4.060 20 0 FIADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000442880729 1092836371 /nfs/dbraw/zinc/83/63/71/1092836371.db2.gz XYGQFESJIRFZFU-QGZVFWFLSA-N 2 1 365.521 4.263 20 0 FIADMP COc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521816151 1092934804 /nfs/dbraw/zinc/93/48/04/1092934804.db2.gz NCIAPQUSCPCQRW-KDURUIRLSA-N 2 1 352.522 4.463 20 0 FIADMP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)cn1 ZINC000245660150 1092946065 /nfs/dbraw/zinc/94/60/65/1092946065.db2.gz FKBUTCQBTGHWBQ-ULPXVVAUSA-N 2 1 372.516 4.158 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000245689281 1092948603 /nfs/dbraw/zinc/94/86/03/1092948603.db2.gz KAZHVCUSKIFONH-VLDBVROHSA-N 2 1 368.496 4.033 20 0 FIADMP COc1cc(C[NH+](C)Cc2ccco2)cc(C[N@H+](C)Cc2ccco2)c1 ZINC000432945421 1092980536 /nfs/dbraw/zinc/98/05/36/1092980536.db2.gz ZXDJUJWARUAUEX-UHFFFAOYSA-N 2 1 354.450 4.145 20 0 FIADMP COc1cc(C[NH+](C)Cc2ccco2)cc(C[N@@H+](C)Cc2ccco2)c1 ZINC000432945421 1092980539 /nfs/dbraw/zinc/98/05/39/1092980539.db2.gz ZXDJUJWARUAUEX-UHFFFAOYSA-N 2 1 354.450 4.145 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512644198 1093058392 /nfs/dbraw/zinc/05/83/92/1093058392.db2.gz ZZEALLKTKIQGTN-JLMDMGSGSA-N 2 1 370.581 4.470 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000512653424 1093080051 /nfs/dbraw/zinc/08/00/51/1093080051.db2.gz FDPWQVLRHVWNDA-YPAWHYETSA-N 2 1 356.554 4.084 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000512670931 1093117851 /nfs/dbraw/zinc/11/78/51/1093117851.db2.gz SFOVXIYUGHJFAA-UHFFFAOYSA-N 2 1 373.585 4.113 20 0 FIADMP COC[C@H]([NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001168022799 1093318040 /nfs/dbraw/zinc/31/80/40/1093318040.db2.gz BLRICSBQSUHDLI-PWHSHALESA-N 2 1 352.522 4.405 20 0 FIADMP COC[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001168022799 1093318047 /nfs/dbraw/zinc/31/80/47/1093318047.db2.gz BLRICSBQSUHDLI-PWHSHALESA-N 2 1 352.522 4.405 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C ZINC000443623549 1093344031 /nfs/dbraw/zinc/34/40/31/1093344031.db2.gz PURMMEJMIAMNBI-OXQOHEQNSA-N 2 1 372.944 4.410 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2COCc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025870 1093441774 /nfs/dbraw/zinc/44/17/74/1093441774.db2.gz KDZWUWICMYUGNL-NNTZPNAXSA-N 2 1 350.506 4.289 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000389141374 1093454688 /nfs/dbraw/zinc/45/46/88/1093454688.db2.gz VHIMAEBOXPJVON-ZWOKBUDYSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168027919 1093525851 /nfs/dbraw/zinc/52/58/51/1093525851.db2.gz NNPHBPRKILCEJC-JHDGKUDLSA-N 3 1 357.586 4.140 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH+](C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168027919 1093525860 /nfs/dbraw/zinc/52/58/60/1093525860.db2.gz NNPHBPRKILCEJC-JHDGKUDLSA-N 2 1 357.586 4.140 20 0 FIADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1c(C)nn(C)c1C ZINC000512979467 1093624119 /nfs/dbraw/zinc/62/41/19/1093624119.db2.gz CWTFBUVBEJPQBL-DQLDELGASA-N 2 1 354.542 4.131 20 0 FIADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1c(C)nn(C)c1C ZINC000512979467 1093624123 /nfs/dbraw/zinc/62/41/23/1093624123.db2.gz CWTFBUVBEJPQBL-DQLDELGASA-N 2 1 354.542 4.131 20 0 FIADMP C[N@@H+](CCCO)C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474261582 1093628431 /nfs/dbraw/zinc/62/84/31/1093628431.db2.gz ABWXVSMIEOCARE-UHFFFAOYSA-N 2 1 373.368 4.095 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000327403349 1093718602 /nfs/dbraw/zinc/71/86/02/1093718602.db2.gz VDYSXFFEWOBGKX-LSDHHAIUSA-N 2 1 366.349 4.441 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000327403349 1093718607 /nfs/dbraw/zinc/71/86/07/1093718607.db2.gz VDYSXFFEWOBGKX-LSDHHAIUSA-N 2 1 366.349 4.441 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000067222625 1093718667 /nfs/dbraw/zinc/71/86/67/1093718667.db2.gz IVFIUKJPHDGMOL-QGZVFWFLSA-N 2 1 373.928 4.136 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000067222625 1093718672 /nfs/dbraw/zinc/71/86/72/1093718672.db2.gz IVFIUKJPHDGMOL-QGZVFWFLSA-N 2 1 373.928 4.136 20 0 FIADMP C[C@@H]1CC([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033469 1093721102 /nfs/dbraw/zinc/72/11/02/1093721102.db2.gz LAJZBMGCRQMCDC-NJDAHSKKSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1CC([N@@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033469 1093721106 /nfs/dbraw/zinc/72/11/06/1093721106.db2.gz LAJZBMGCRQMCDC-NJDAHSKKSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CC([N@H+]2CCCC[C@H](CCC[NH3+])C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033469 1093721112 /nfs/dbraw/zinc/72/11/12/1093721112.db2.gz LAJZBMGCRQMCDC-NJDAHSKKSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@H]1CC([NH2+]CC2CC[NH+](C3CCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168033629 1093722149 /nfs/dbraw/zinc/72/21/49/1093722149.db2.gz MVKWEJVRTFTAJF-PMACEKPBSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnc2ccccc2n1 ZINC000614387138 1093802268 /nfs/dbraw/zinc/80/22/68/1093802268.db2.gz AUFSGUKDOIPMHG-GOSISDBHSA-N 2 1 360.505 4.294 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000614387138 1093802269 /nfs/dbraw/zinc/80/22/69/1093802269.db2.gz AUFSGUKDOIPMHG-GOSISDBHSA-N 2 1 360.505 4.294 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000614387138 1093802279 /nfs/dbraw/zinc/80/22/79/1093802279.db2.gz AUFSGUKDOIPMHG-GOSISDBHSA-N 2 1 360.505 4.294 20 0 FIADMP Cc1cccc([C@@H](CO)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168035679 1093821335 /nfs/dbraw/zinc/82/13/35/1093821335.db2.gz UIPFIHFYYNQWGQ-DNVFCKCGSA-N 2 1 352.522 4.060 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000509914075 1094025501 /nfs/dbraw/zinc/02/55/01/1094025501.db2.gz WNTZVQRREZTFSP-UHFFFAOYSA-N 2 1 373.585 4.113 20 0 FIADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000513344276 1094077069 /nfs/dbraw/zinc/07/70/69/1094077069.db2.gz ZAPUNBJTCJVFAK-DYESRHJHSA-N 2 1 356.460 4.106 20 0 FIADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000513344276 1094077076 /nfs/dbraw/zinc/07/70/76/1094077076.db2.gz ZAPUNBJTCJVFAK-DYESRHJHSA-N 2 1 356.460 4.106 20 0 FIADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(F)F ZINC000513365675 1094082062 /nfs/dbraw/zinc/08/20/62/1094082062.db2.gz RRCGKMQESSSOFY-HOCLYGCPSA-N 2 1 368.468 4.039 20 0 FIADMP CCCn1nc(C)c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513495464 1094161999 /nfs/dbraw/zinc/16/19/99/1094161999.db2.gz QDVPEQAMTKNFJO-AVRDEDQJSA-N 2 1 368.569 4.300 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000513647173 1094262478 /nfs/dbraw/zinc/26/24/78/1094262478.db2.gz FJALOAFRZQYSGW-LJQANCHMSA-N 2 1 354.542 4.207 20 0 FIADMP CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513678613 1094269508 /nfs/dbraw/zinc/26/95/08/1094269508.db2.gz PVOGIMNQNKQHER-BHIFYINESA-N 2 1 358.570 4.066 20 0 FIADMP CSc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000513662420 1094270484 /nfs/dbraw/zinc/27/04/84/1094270484.db2.gz VKFMTZOYSGYAEO-UHFFFAOYSA-N 2 1 355.551 4.336 20 0 FIADMP CC(C)Oc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501027737 1094444525 /nfs/dbraw/zinc/44/45/25/1094444525.db2.gz LMWLKMSAIDHUFY-UHFFFAOYSA-N 2 1 353.510 4.217 20 0 FIADMP CC(C)CCc1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000501041596 1094448625 /nfs/dbraw/zinc/44/86/25/1094448625.db2.gz ZDRDGNHNWCTNQA-UHFFFAOYSA-N 2 1 372.582 4.475 20 0 FIADMP C[C@H]1CC([NH2+]Cc2cnc3ccc(F)cn23)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039671 1094450089 /nfs/dbraw/zinc/45/00/89/1094450089.db2.gz HALMYMZOCXORGD-IRXDYDNUSA-N 2 1 366.484 4.005 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)CC1 ZINC000501059142 1094469907 /nfs/dbraw/zinc/46/99/07/1094469907.db2.gz LIRHQKMGEWKTBE-XMMPIXPASA-N 2 1 371.613 4.137 20 0 FIADMP C[N@H+](Cc1nc(C(C)(C)C)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501070125 1094481500 /nfs/dbraw/zinc/48/15/00/1094481500.db2.gz RPIAEPAARRCKPO-UHFFFAOYSA-N 2 1 358.555 4.184 20 0 FIADMP C[C@@H]1CC([NH2+]CCCC(=O)c2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042293 1094681555 /nfs/dbraw/zinc/68/15/55/1094681555.db2.gz YTHYSJZWXICNQP-RTBURBONSA-N 2 1 365.521 4.076 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414441864 1094767048 /nfs/dbraw/zinc/76/70/48/1094767048.db2.gz ZQBDHXATMJHWNK-WMZOPIPTSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414441864 1094767056 /nfs/dbraw/zinc/76/70/56/1094767056.db2.gz ZQBDHXATMJHWNK-WMZOPIPTSA-N 2 1 370.516 4.062 20 0 FIADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474890703 1094869539 /nfs/dbraw/zinc/86/95/39/1094869539.db2.gz VUPBEKVQWIPOEB-MSOLQXFVSA-N 2 1 364.961 4.457 20 0 FIADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315025 1094877488 /nfs/dbraw/zinc/87/74/88/1094877488.db2.gz RKSPEYBYAUNEJJ-VGOFRKELSA-N 2 1 361.489 4.153 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420390975 1094909311 /nfs/dbraw/zinc/90/93/11/1094909311.db2.gz IEAXLRAAIHNERE-XLIONFOSSA-N 2 1 370.928 4.069 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)[nH+]c1 ZINC000502268033 1095311095 /nfs/dbraw/zinc/31/10/95/1095311095.db2.gz KRBGJDZVWUSPHI-GHTZIAJQSA-N 2 1 350.510 4.070 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCc3cc(O)ccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168047552 1095390576 /nfs/dbraw/zinc/39/05/76/1095390576.db2.gz QQZDXMGQMZYJHZ-OPMZPASUSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCc3cc(O)ccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047552 1095390591 /nfs/dbraw/zinc/39/05/91/1095390591.db2.gz QQZDXMGQMZYJHZ-OPMZPASUSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(O)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047552 1095390605 /nfs/dbraw/zinc/39/06/05/1095390605.db2.gz QQZDXMGQMZYJHZ-OPMZPASUSA-N 2 1 350.506 4.192 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(O)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047552 1095390622 /nfs/dbraw/zinc/39/06/22/1095390622.db2.gz QQZDXMGQMZYJHZ-OPMZPASUSA-N 2 1 350.506 4.192 20 0 FIADMP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000502453302 1095474371 /nfs/dbraw/zinc/47/43/71/1095474371.db2.gz PCLOEDOWMSGZCC-GCJKJVERSA-N 2 1 356.510 4.206 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318665 1095533650 /nfs/dbraw/zinc/53/36/50/1095533650.db2.gz HADWVTRSDGVYRX-LJQANCHMSA-N 2 1 366.553 4.439 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318665 1095533662 /nfs/dbraw/zinc/53/36/62/1095533662.db2.gz HADWVTRSDGVYRX-LJQANCHMSA-N 2 1 366.553 4.439 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318665 1095533673 /nfs/dbraw/zinc/53/36/73/1095533673.db2.gz HADWVTRSDGVYRX-LJQANCHMSA-N 2 1 366.553 4.439 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318665 1095533692 /nfs/dbraw/zinc/53/36/92/1095533692.db2.gz HADWVTRSDGVYRX-LJQANCHMSA-N 2 1 366.553 4.439 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421345721 1095539226 /nfs/dbraw/zinc/53/92/26/1095539226.db2.gz XNEMHQOYLGAMSJ-UHFFFAOYSA-N 2 1 350.510 4.017 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000421334783 1095548546 /nfs/dbraw/zinc/54/85/46/1095548546.db2.gz QSIYEFWQHGUJOH-SFHVURJKSA-N 2 1 364.537 4.239 20 0 FIADMP Cc1nn(C(C)C)cc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000281504571 1095559222 /nfs/dbraw/zinc/55/92/22/1095559222.db2.gz WWVLALBQNOBJJP-FRIKZZABSA-N 2 1 352.526 4.058 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000281504571 1095559235 /nfs/dbraw/zinc/55/92/35/1095559235.db2.gz WWVLALBQNOBJJP-FRIKZZABSA-N 2 1 352.526 4.058 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000281504571 1095559251 /nfs/dbraw/zinc/55/92/51/1095559251.db2.gz WWVLALBQNOBJJP-FRIKZZABSA-N 2 1 352.526 4.058 20 0 FIADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1Cl ZINC000443979512 1095567208 /nfs/dbraw/zinc/56/72/08/1095567208.db2.gz OQDBRAMARDKDND-KRWDZBQOSA-N 2 1 358.913 4.159 20 0 FIADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000281694700 1095677541 /nfs/dbraw/zinc/67/75/41/1095677541.db2.gz NHPXSMRBMYSWBW-UHFFFAOYSA-N 2 1 368.912 4.092 20 0 FIADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000522799477 1095690482 /nfs/dbraw/zinc/69/04/82/1095690482.db2.gz DSWPFAVZROZDKE-HBMCJLEFSA-N 2 1 365.565 4.391 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000428327487 1095719862 /nfs/dbraw/zinc/71/98/62/1095719862.db2.gz TZCVDFQCPMPJQK-HZPDHXFCSA-N 2 1 352.469 4.339 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000428327487 1095719870 /nfs/dbraw/zinc/71/98/70/1095719870.db2.gz TZCVDFQCPMPJQK-HZPDHXFCSA-N 2 1 352.469 4.339 20 0 FIADMP COc1ccc(CCC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000502716998 1095742302 /nfs/dbraw/zinc/74/23/02/1095742302.db2.gz VFAVJPAKYWIQQU-UHFFFAOYSA-N 2 1 355.526 4.325 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051038 1095769237 /nfs/dbraw/zinc/76/92/37/1095769237.db2.gz FNWXLIYUFFVCMZ-RUMRUAAYSA-N 3 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[NH+](C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051038 1095769246 /nfs/dbraw/zinc/76/92/46/1095769246.db2.gz FNWXLIYUFFVCMZ-RUMRUAAYSA-N 3 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[NH+](C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051038 1095769250 /nfs/dbraw/zinc/76/92/50/1095769250.db2.gz FNWXLIYUFFVCMZ-RUMRUAAYSA-N 3 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051038 1095769257 /nfs/dbraw/zinc/76/92/57/1095769257.db2.gz FNWXLIYUFFVCMZ-RUMRUAAYSA-N 2 1 371.613 4.480 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051038 1095769263 /nfs/dbraw/zinc/76/92/63/1095769263.db2.gz FNWXLIYUFFVCMZ-RUMRUAAYSA-N 2 1 371.613 4.480 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051056 1095771954 /nfs/dbraw/zinc/77/19/54/1095771954.db2.gz FRJBCFMRNTWGPJ-YHELAOLJSA-N 2 1 372.553 4.092 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051056 1095771968 /nfs/dbraw/zinc/77/19/68/1095771968.db2.gz FRJBCFMRNTWGPJ-YHELAOLJSA-N 2 1 372.553 4.092 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051056 1095771981 /nfs/dbraw/zinc/77/19/81/1095771981.db2.gz FRJBCFMRNTWGPJ-YHELAOLJSA-N 2 1 372.553 4.092 20 0 FIADMP CC[N@@H+](Cc1occc1C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414555296 1095960246 /nfs/dbraw/zinc/96/02/46/1095960246.db2.gz WZCUVGIOOVNFRN-UHFFFAOYSA-N 2 1 355.526 4.141 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CC24CCSCC4)C3)cc1 ZINC000421872276 1095981126 /nfs/dbraw/zinc/98/11/26/1095981126.db2.gz GNLOTSVIFWUHJK-NCYKPQTJSA-N 2 1 356.579 4.305 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CCC(F)(F)CC3)CC2)cc1 ZINC000503074772 1096052405 /nfs/dbraw/zinc/05/24/05/1096052405.db2.gz KPFAGKSMAXLTGY-UHFFFAOYSA-N 2 1 354.460 4.248 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccsc2S1 ZINC000272774864 1096210950 /nfs/dbraw/zinc/21/09/50/1096210950.db2.gz UETWOXFXJOGREN-YJLNNSPDSA-N 2 1 374.575 4.030 20 0 FIADMP C[C@@H](C[NH+](C)CCCC[N@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273115129 1096236214 /nfs/dbraw/zinc/23/62/14/1096236214.db2.gz QRYNBKVFABGOIR-HOTGVXAUSA-N 2 1 366.600 4.151 20 0 FIADMP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000503369967 1096370369 /nfs/dbraw/zinc/37/03/69/1096370369.db2.gz CQUFCRMEJYLYCQ-OAHLLOKOSA-N 2 1 358.555 4.353 20 0 FIADMP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000503369967 1096370378 /nfs/dbraw/zinc/37/03/78/1096370378.db2.gz CQUFCRMEJYLYCQ-OAHLLOKOSA-N 2 1 358.555 4.353 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000414663882 1096375375 /nfs/dbraw/zinc/37/53/75/1096375375.db2.gz SEDVPKAIYSUEGC-MOPGFXCFSA-N 2 1 360.505 4.017 20 0 FIADMP c1csc(C[N@H+](Cc2cccc(C3CC3)c2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000422556711 1096397315 /nfs/dbraw/zinc/39/73/15/1096397315.db2.gz UJYRSBJMRUPPRA-LJQANCHMSA-N 2 1 353.535 4.165 20 0 FIADMP c1csc(C[N@@H+](Cc2cccc(C3CC3)c2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000422556711 1096397324 /nfs/dbraw/zinc/39/73/24/1096397324.db2.gz UJYRSBJMRUPPRA-LJQANCHMSA-N 2 1 353.535 4.165 20 0 FIADMP C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000414704265 1096526031 /nfs/dbraw/zinc/52/60/31/1096526031.db2.gz DGFJNNHFVNNSNW-XLIONFOSSA-N 2 1 372.557 4.042 20 0 FIADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422942999 1096531291 /nfs/dbraw/zinc/53/12/91/1096531291.db2.gz XIRCKKCOLXNYSL-XXBNENTESA-N 2 1 360.501 4.281 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000414705571 1096531451 /nfs/dbraw/zinc/53/14/51/1096531451.db2.gz FMYAAWYPQQDCNF-FXAWDEMLSA-N 2 1 372.557 4.090 20 0 FIADMP COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422961316 1096540321 /nfs/dbraw/zinc/54/03/21/1096540321.db2.gz YWEUHIKAFFHVQZ-GAJHUEQPSA-N 2 1 361.489 4.298 20 0 FIADMP FC(F)(F)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423039104 1096556861 /nfs/dbraw/zinc/55/68/61/1096556861.db2.gz PSWFQSXNCOSFKH-KBPBESRZSA-N 2 1 365.237 4.174 20 0 FIADMP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000423060773 1096561009 /nfs/dbraw/zinc/56/10/09/1096561009.db2.gz IWKSTLCEKACMIJ-SUHUHFCYSA-N 2 1 354.338 4.287 20 0 FIADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423109678 1096584330 /nfs/dbraw/zinc/58/43/30/1096584330.db2.gz SWFIUUVWKMFJRF-FDFHNCONSA-N 2 1 365.521 4.061 20 0 FIADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423144104 1096595581 /nfs/dbraw/zinc/59/55/81/1096595581.db2.gz YLOUKVKOJDEPEK-SJFSSXKUSA-N 2 1 373.338 4.243 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183372 1096595665 /nfs/dbraw/zinc/59/56/65/1096595665.db2.gz GMJKDNWISIEVBC-OAQYLSRUSA-N 2 1 353.510 4.188 20 0 FIADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2cc(OC)ccc2c1 ZINC000423187076 1096609714 /nfs/dbraw/zinc/60/97/14/1096609714.db2.gz LSBKRWCAEYVIOJ-HSZRJFAPSA-N 2 1 363.505 4.464 20 0 FIADMP Cc1cc(C)c(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000414725843 1096619453 /nfs/dbraw/zinc/61/94/53/1096619453.db2.gz XAUBOOOGQXOELC-IBGZPJMESA-N 2 1 355.551 4.213 20 0 FIADMP Cc1cc(C)c(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000414725843 1096619455 /nfs/dbraw/zinc/61/94/55/1096619455.db2.gz XAUBOOOGQXOELC-IBGZPJMESA-N 2 1 355.551 4.213 20 0 FIADMP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414727763 1096629918 /nfs/dbraw/zinc/62/99/18/1096629918.db2.gz BOBFDISXDLHNGK-UONOGXRCSA-N 2 1 372.340 4.032 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000423344879 1096646613 /nfs/dbraw/zinc/64/66/13/1096646613.db2.gz XDVDZCDARIVEIS-IAGOWNOFSA-N 2 1 351.494 4.333 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423369534 1096658346 /nfs/dbraw/zinc/65/83/46/1096658346.db2.gz FBBLETRNLDIKTF-MRUHUIDDSA-N 2 1 374.912 4.306 20 0 FIADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2Br)s1 ZINC000423424298 1096670250 /nfs/dbraw/zinc/67/02/50/1096670250.db2.gz FSOWSENZYNHKFB-JCKZUZKGSA-N 2 1 363.324 4.046 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cn1 ZINC000423482427 1096695729 /nfs/dbraw/zinc/69/57/29/1096695729.db2.gz XPIVKAHAKZHSQZ-LDQXTDLNSA-N 2 1 359.464 4.040 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000515494946 1098628494 /nfs/dbraw/zinc/62/84/94/1098628494.db2.gz AJBPEZWUPHXFGM-INIZCTEOSA-N 2 1 354.523 4.478 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000515494946 1098628499 /nfs/dbraw/zinc/62/84/99/1098628499.db2.gz AJBPEZWUPHXFGM-INIZCTEOSA-N 2 1 354.523 4.478 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000532967486 1098635435 /nfs/dbraw/zinc/63/54/35/1098635435.db2.gz DDDXCWQKQZVTRK-OAQYLSRUSA-N 2 1 374.532 4.452 20 0 FIADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000532967486 1098635441 /nfs/dbraw/zinc/63/54/41/1098635441.db2.gz DDDXCWQKQZVTRK-OAQYLSRUSA-N 2 1 374.532 4.452 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000515676902 1098837991 /nfs/dbraw/zinc/83/79/91/1098837991.db2.gz AHKALCXJOOPINJ-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000515676902 1098837995 /nfs/dbraw/zinc/83/79/95/1098837995.db2.gz AHKALCXJOOPINJ-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP CC[NH+](CC)Cc1ccccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001211994248 1099157464 /nfs/dbraw/zinc/15/74/64/1099157464.db2.gz OQPZNEHKIZZFDF-UHFFFAOYSA-N 2 1 353.510 4.104 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000429542616 1099328086 /nfs/dbraw/zinc/32/80/86/1099328086.db2.gz YMHKCFNWWVSJHQ-WMZOPIPTSA-N 2 1 351.332 4.243 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000429542616 1099328100 /nfs/dbraw/zinc/32/81/00/1099328100.db2.gz YMHKCFNWWVSJHQ-WMZOPIPTSA-N 2 1 351.332 4.243 20 0 FIADMP C[NH+](C)Cc1ccc(-c2noc([C@](C)([NH3+])c3cccc4ccccc43)n2)cc1 ZINC001212042138 1099393982 /nfs/dbraw/zinc/39/39/82/1099393982.db2.gz UJULYJRFQVEDOT-HSZRJFAPSA-N 2 1 372.472 4.174 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[C@H](C)C1 ZINC000437090271 1099594612 /nfs/dbraw/zinc/59/46/12/1099594612.db2.gz AGSNXTKBMJPFAI-ADHNFCLRSA-N 2 1 358.570 4.124 20 0 FIADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000162132847 1099629375 /nfs/dbraw/zinc/62/93/75/1099629375.db2.gz CVIPEDNJVVDBIE-GOSISDBHSA-N 2 1 365.521 4.269 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125941 1099644727 /nfs/dbraw/zinc/64/47/27/1099644727.db2.gz HAPKXCNRQPQYTP-WIYYLYMNSA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125941 1099644729 /nfs/dbraw/zinc/64/47/29/1099644729.db2.gz HAPKXCNRQPQYTP-WIYYLYMNSA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125941 1099644733 /nfs/dbraw/zinc/64/47/33/1099644733.db2.gz HAPKXCNRQPQYTP-WIYYLYMNSA-N 2 1 352.526 4.012 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125941 1099644740 /nfs/dbraw/zinc/64/47/40/1099644740.db2.gz HAPKXCNRQPQYTP-WIYYLYMNSA-N 2 1 352.526 4.012 20 0 FIADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000516620385 1099661712 /nfs/dbraw/zinc/66/17/12/1099661712.db2.gz KIKCWIASHAENLH-CUUWFGFTSA-N 2 1 356.554 4.365 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Cl)s3)CC2)nc(C)[nH+]1 ZINC000162244767 1099669307 /nfs/dbraw/zinc/66/93/07/1099669307.db2.gz UBBUTKJZXZZTMH-GFCCVEGCSA-N 2 1 350.919 4.128 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H](C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000162290531 1099678383 /nfs/dbraw/zinc/67/83/83/1099678383.db2.gz PJDGVBIKWCRJSI-BTYIYWSLSA-N 2 1 350.510 4.290 20 0 FIADMP C[C@@H]1c2cccn2CC[N@@H+]1CCCCCC[NH+]1CCn2cccc2[C@@H]1C ZINC000729815060 1099696290 /nfs/dbraw/zinc/69/62/90/1099696290.db2.gz NAWFDWDRBUZKDE-BGYRXZFFSA-N 2 1 354.542 4.303 20 0 FIADMP C[C@@H]1c2cccn2CC[NH+]1CCCCCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000729815060 1099696296 /nfs/dbraw/zinc/69/62/96/1099696296.db2.gz NAWFDWDRBUZKDE-BGYRXZFFSA-N 2 1 354.542 4.303 20 0 FIADMP C[C@@H]1c2cccn2CC[NH+]1CCCCCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000729815060 1099696301 /nfs/dbraw/zinc/69/63/01/1099696301.db2.gz NAWFDWDRBUZKDE-BGYRXZFFSA-N 2 1 354.542 4.303 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000516689868 1099728538 /nfs/dbraw/zinc/72/85/38/1099728538.db2.gz LLWBASXNKNNBFG-CWWKMALHSA-N 2 1 350.453 4.296 20 0 FIADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693255 1099827902 /nfs/dbraw/zinc/82/79/02/1099827902.db2.gz CQOQVFOKGYJMOR-PQNGQFLHSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693255 1099827912 /nfs/dbraw/zinc/82/79/12/1099827912.db2.gz CQOQVFOKGYJMOR-PQNGQFLHSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693255 1099827925 /nfs/dbraw/zinc/82/79/25/1099827925.db2.gz CQOQVFOKGYJMOR-PQNGQFLHSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693255 1099827942 /nfs/dbraw/zinc/82/79/42/1099827942.db2.gz CQOQVFOKGYJMOR-PQNGQFLHSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693255 1099827953 /nfs/dbraw/zinc/82/79/53/1099827953.db2.gz CQOQVFOKGYJMOR-PQNGQFLHSA-N 2 1 365.565 4.007 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000508702550 1099854486 /nfs/dbraw/zinc/85/44/86/1099854486.db2.gz ZKXCZHZWMQHWIP-HWHRFOGPSA-N 2 1 358.570 4.470 20 0 FIADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000508714820 1099885685 /nfs/dbraw/zinc/88/56/85/1099885685.db2.gz CAAKPCUOZVVPQH-OIBXWCBGSA-N 2 1 351.538 4.321 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709970 1099899873 /nfs/dbraw/zinc/89/98/73/1099899873.db2.gz KNQCSAZHQMXPGQ-JKLQHZFJSA-N 2 1 358.570 4.328 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709811 1099900968 /nfs/dbraw/zinc/90/09/68/1099900968.db2.gz JOMTZMFQRRLSSA-YKSBVNFPSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709811 1099900972 /nfs/dbraw/zinc/90/09/72/1099900972.db2.gz JOMTZMFQRRLSSA-YKSBVNFPSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709811 1099900976 /nfs/dbraw/zinc/90/09/76/1099900976.db2.gz JOMTZMFQRRLSSA-YKSBVNFPSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709811 1099900977 /nfs/dbraw/zinc/90/09/77/1099900977.db2.gz JOMTZMFQRRLSSA-YKSBVNFPSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709811 1099900982 /nfs/dbraw/zinc/90/09/82/1099900982.db2.gz JOMTZMFQRRLSSA-YKSBVNFPSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709811 1099900986 /nfs/dbraw/zinc/90/09/86/1099900986.db2.gz JOMTZMFQRRLSSA-YKSBVNFPSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709811 1099900988 /nfs/dbraw/zinc/90/09/88/1099900988.db2.gz JOMTZMFQRRLSSA-YKSBVNFPSA-N 2 1 365.565 4.139 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000517034931 1099996705 /nfs/dbraw/zinc/99/67/05/1099996705.db2.gz CPKHWLCLRCRZMN-QFIPXVFZSA-N 2 1 360.505 4.039 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459397563 1100123581 /nfs/dbraw/zinc/12/35/81/1100123581.db2.gz WURXRCDRIDNVEY-LEWJYISDSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459397563 1100123588 /nfs/dbraw/zinc/12/35/88/1100123588.db2.gz WURXRCDRIDNVEY-LEWJYISDSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459397563 1100123603 /nfs/dbraw/zinc/12/36/03/1100123603.db2.gz WURXRCDRIDNVEY-LEWJYISDSA-N 2 1 350.506 4.387 20 0 FIADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc(Cl)c1O ZINC000459416363 1100143162 /nfs/dbraw/zinc/14/31/62/1100143162.db2.gz XIKPDVNISPEOEV-UHFFFAOYSA-N 2 1 362.901 4.186 20 0 FIADMP C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517187773 1100160144 /nfs/dbraw/zinc/16/01/44/1100160144.db2.gz YKJJSRKGZYWFHP-JLMWRMLUSA-N 2 1 350.506 4.270 20 0 FIADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000459433708 1100170962 /nfs/dbraw/zinc/17/09/62/1100170962.db2.gz TUCJYJZOKQWGGH-QGZVFWFLSA-N 2 1 356.432 4.079 20 0 FIADMP CC[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536709349 1100227675 /nfs/dbraw/zinc/22/76/75/1100227675.db2.gz BMPYGWYRGWKMGX-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536709349 1100227684 /nfs/dbraw/zinc/22/76/84/1100227684.db2.gz BMPYGWYRGWKMGX-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP CC[NH+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536709349 1100227700 /nfs/dbraw/zinc/22/77/00/1100227700.db2.gz BMPYGWYRGWKMGX-HSZRJFAPSA-N 2 1 374.532 4.216 20 0 FIADMP C[C@H]1C[C@H](NCc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631069 1100243818 /nfs/dbraw/zinc/24/38/18/1100243818.db2.gz QYEMOVKZDNYGFE-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccccc1 ZINC000379631069 1100243833 /nfs/dbraw/zinc/24/38/33/1100243833.db2.gz QYEMOVKZDNYGFE-SIKLNZKXSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@H](NCc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631067 1100244460 /nfs/dbraw/zinc/24/44/60/1100244460.db2.gz QYEMOVKZDNYGFE-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccccc1 ZINC000379631067 1100244471 /nfs/dbraw/zinc/24/44/71/1100244471.db2.gz QYEMOVKZDNYGFE-DENIHFKCSA-N 2 1 360.505 4.015 20 0 FIADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1)CC1CC1 ZINC000536738462 1100263489 /nfs/dbraw/zinc/26/34/89/1100263489.db2.gz UTZOITLGMCFWSU-UHFFFAOYSA-N 2 1 371.569 4.076 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1)CC1CC1 ZINC000536738462 1100263498 /nfs/dbraw/zinc/26/34/98/1100263498.db2.gz UTZOITLGMCFWSU-UHFFFAOYSA-N 2 1 371.569 4.076 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641985 1100264144 /nfs/dbraw/zinc/26/41/44/1100264144.db2.gz DQRXOHMWIOJNEL-DHJUGAMNSA-N 2 1 350.506 4.325 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641985 1100264150 /nfs/dbraw/zinc/26/41/50/1100264150.db2.gz DQRXOHMWIOJNEL-DHJUGAMNSA-N 2 1 350.506 4.325 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@@H]4CC[N@@H+](C)C[C@H]4C)cc3)ccc2O1 ZINC000536838064 1100349202 /nfs/dbraw/zinc/34/92/02/1100349202.db2.gz GNOJDLTZNSUSCX-DRSNIGMVSA-N 2 1 350.506 4.107 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000536861939 1100379452 /nfs/dbraw/zinc/37/94/52/1100379452.db2.gz IKPHQBXLUAJAPT-DAYGRLMNSA-N 2 1 368.974 4.356 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000536876228 1100398292 /nfs/dbraw/zinc/39/82/92/1100398292.db2.gz JRZLERCWJOQMIT-QGZVFWFLSA-N 2 1 369.322 4.428 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000426030776 1100697063 /nfs/dbraw/zinc/69/70/63/1100697063.db2.gz PJSLDJRBDRIVKK-RZFNWQHOSA-N 2 1 364.533 4.053 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000426030776 1100697069 /nfs/dbraw/zinc/69/70/69/1100697069.db2.gz PJSLDJRBDRIVKK-RZFNWQHOSA-N 2 1 364.533 4.053 20 0 FIADMP Cc1ccc2cc([C@@H](C)[NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)oc2c1 ZINC000426040316 1100705909 /nfs/dbraw/zinc/70/59/09/1100705909.db2.gz USGDHYCJOFSPHZ-MRXNPFEDSA-N 2 1 364.493 4.468 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C2 ZINC000426058618 1100745016 /nfs/dbraw/zinc/74/50/16/1100745016.db2.gz MIOYIDMPHTVWIB-KGVIQGDOSA-N 2 1 370.562 4.287 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000426058618 1100745028 /nfs/dbraw/zinc/74/50/28/1100745028.db2.gz MIOYIDMPHTVWIB-KGVIQGDOSA-N 2 1 370.562 4.287 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000517936817 1100804624 /nfs/dbraw/zinc/80/46/24/1100804624.db2.gz ZLVATJAOEJHQSI-CRAIPNDOSA-N 2 1 371.912 4.152 20 0 FIADMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968723 1100838870 /nfs/dbraw/zinc/83/88/70/1100838870.db2.gz HJJVUKPKTQVCLH-FQEVSTJZSA-N 2 1 370.562 4.075 20 0 FIADMP C[N@H+](Cc1cnc(-c2ccco2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426160896 1100930869 /nfs/dbraw/zinc/93/08/69/1100930869.db2.gz MCLAYZFSKZPEEJ-UHFFFAOYSA-N 2 1 368.506 4.147 20 0 FIADMP Cc1ccc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000438846345 1100975023 /nfs/dbraw/zinc/97/50/23/1100975023.db2.gz ASAKFBQHTXUVCA-PZJWPPBQSA-N 2 1 351.538 4.379 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000518274090 1101056435 /nfs/dbraw/zinc/05/64/35/1101056435.db2.gz ITPCAIJPLCYLON-OAQYLSRUSA-N 2 1 352.522 4.476 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000518274090 1101056442 /nfs/dbraw/zinc/05/64/42/1101056442.db2.gz ITPCAIJPLCYLON-OAQYLSRUSA-N 2 1 352.522 4.476 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000518274764 1101058233 /nfs/dbraw/zinc/05/82/33/1101058233.db2.gz WKQRZWPCYCINKG-JOCHJYFZSA-N 2 1 352.522 4.476 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000518470712 1101232063 /nfs/dbraw/zinc/23/20/63/1101232063.db2.gz SRBHIWMIQGNULN-FQEVSTJZSA-N 2 1 361.917 4.335 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000518470712 1101232066 /nfs/dbraw/zinc/23/20/66/1101232066.db2.gz SRBHIWMIQGNULN-FQEVSTJZSA-N 2 1 361.917 4.335 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322395 1101267194 /nfs/dbraw/zinc/26/71/94/1101267194.db2.gz IQWAKACILAODOG-IIYDPXPESA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322395 1101267205 /nfs/dbraw/zinc/26/72/05/1101267205.db2.gz IQWAKACILAODOG-IIYDPXPESA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964326 1101349627 /nfs/dbraw/zinc/34/96/27/1101349627.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964326 1101349643 /nfs/dbraw/zinc/34/96/43/1101349643.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964326 1101349659 /nfs/dbraw/zinc/34/96/59/1101349659.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964326 1101349673 /nfs/dbraw/zinc/34/96/73/1101349673.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964326 1101349683 /nfs/dbraw/zinc/34/96/83/1101349683.db2.gz OXLPUZDLYCQICJ-NWAUJJNUSA-N 2 1 367.581 4.035 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439330270 1101350610 /nfs/dbraw/zinc/35/06/10/1101350610.db2.gz YJMRGWNSOWRMIY-UHFFFAOYSA-N 2 1 362.315 4.224 20 0 FIADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1F ZINC000423193574 1101455206 /nfs/dbraw/zinc/45/52/06/1101455206.db2.gz XHTHWWHFDTWMFJ-CTNGQTDRSA-N 2 1 371.500 4.025 20 0 FIADMP Cc1nccn1CCCC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537176308 1101520823 /nfs/dbraw/zinc/52/08/23/1101520823.db2.gz ARCDBXIKZHDBPO-UHFFFAOYSA-N 2 1 362.315 4.101 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537176308 1101520839 /nfs/dbraw/zinc/52/08/39/1101520839.db2.gz ARCDBXIKZHDBPO-UHFFFAOYSA-N 2 1 362.315 4.101 20 0 FIADMP Cn1cnc2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202876 1101554941 /nfs/dbraw/zinc/55/49/41/1101554941.db2.gz CBPXYUQCRYLGNF-GMAHTHKFSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202876 1101554958 /nfs/dbraw/zinc/55/49/58/1101554958.db2.gz CBPXYUQCRYLGNF-GMAHTHKFSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202876 1101554974 /nfs/dbraw/zinc/55/49/74/1101554974.db2.gz CBPXYUQCRYLGNF-GMAHTHKFSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202876 1101554985 /nfs/dbraw/zinc/55/49/85/1101554985.db2.gz CBPXYUQCRYLGNF-GMAHTHKFSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202876 1101554995 /nfs/dbraw/zinc/55/49/95/1101554995.db2.gz CBPXYUQCRYLGNF-GMAHTHKFSA-N 2 1 374.532 4.060 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000183152891 1101620862 /nfs/dbraw/zinc/62/08/62/1101620862.db2.gz IQGONCUOLKZHAW-MRXNPFEDSA-N 2 1 373.456 4.446 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC(C)(c4ccccc4)C3)CC2)oc1C ZINC000298225021 1101868844 /nfs/dbraw/zinc/86/88/44/1101868844.db2.gz ATIPDVOBUCICCI-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156402 1101972132 /nfs/dbraw/zinc/97/21/32/1101972132.db2.gz QVQYJHUFQDDMFO-NFBKMPQASA-N 2 1 352.522 4.094 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156402 1101972134 /nfs/dbraw/zinc/97/21/34/1101972134.db2.gz QVQYJHUFQDDMFO-NFBKMPQASA-N 2 1 352.522 4.094 20 0 FIADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630873 1102255398 /nfs/dbraw/zinc/25/53/98/1102255398.db2.gz GKTYGKUMKXUPTB-GHTZIAJQSA-N 2 1 368.521 4.189 20 0 FIADMP C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797543 1102328323 /nfs/dbraw/zinc/32/83/23/1102328323.db2.gz RXVRJZKYRODOAK-FNHZYXHNSA-N 2 1 374.326 4.330 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000532446888 1102339662 /nfs/dbraw/zinc/33/96/62/1102339662.db2.gz AFZURNBTLDXIPE-XMSQKQJNSA-N 2 1 365.521 4.035 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000532446888 1102339675 /nfs/dbraw/zinc/33/96/75/1102339675.db2.gz AFZURNBTLDXIPE-XMSQKQJNSA-N 2 1 365.521 4.035 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(CO)c1 ZINC000121224809 1102348604 /nfs/dbraw/zinc/34/86/04/1102348604.db2.gz GYZATURYCFVEKU-OALUTQOASA-N 2 1 352.522 4.262 20 0 FIADMP COc1ccc(OCCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000532467964 1102381932 /nfs/dbraw/zinc/38/19/32/1102381932.db2.gz UUMKYTVVSDKHPK-KRWDZBQOSA-N 2 1 365.477 4.309 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cccc(Br)c2)[C@@H](C)C1 ZINC000537635825 1102382717 /nfs/dbraw/zinc/38/27/17/1102382717.db2.gz ZDQLHQXDHLTUPY-MPGHIAIKSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2cccc(Br)c2)[C@@H](C)C1 ZINC000537635825 1102382728 /nfs/dbraw/zinc/38/27/28/1102382728.db2.gz ZDQLHQXDHLTUPY-MPGHIAIKSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2cccc(Br)c2)[C@@H](C)C1 ZINC000537635825 1102382737 /nfs/dbraw/zinc/38/27/37/1102382737.db2.gz ZDQLHQXDHLTUPY-MPGHIAIKSA-N 2 1 353.348 4.215 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488675 1102429655 /nfs/dbraw/zinc/42/96/55/1102429655.db2.gz XOWCKHHFOQVKMX-JKIFEVAISA-N 2 1 353.348 4.045 20 0 FIADMP COC(=O)c1cccc(C[N@@H+](C2CCC(C)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001168205871 1102469584 /nfs/dbraw/zinc/46/95/84/1102469584.db2.gz LMIZLIXYLVMEIV-BXQDZUEOSA-N 2 1 358.526 4.124 20 0 FIADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000122043185 1102520097 /nfs/dbraw/zinc/52/00/97/1102520097.db2.gz XQDXHMZEKMUSRZ-UHFFFAOYSA-N 2 1 366.553 4.019 20 0 FIADMP Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167973475 1102526478 /nfs/dbraw/zinc/52/64/78/1102526478.db2.gz LNLQBWNWCPKNBG-YQQQUEKLSA-N 2 1 363.343 4.253 20 0 FIADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000092766295 1102527451 /nfs/dbraw/zinc/52/74/51/1102527451.db2.gz LYTZCXMZYYHTBI-OAHLLOKOSA-N 2 1 365.587 4.088 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000122308552 1102563041 /nfs/dbraw/zinc/56/30/41/1102563041.db2.gz FGEKFTSUTJXJFX-AWEZNQCLSA-N 2 1 350.865 4.270 20 0 FIADMP CCOCc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000122634739 1102603810 /nfs/dbraw/zinc/60/38/10/1102603810.db2.gz VTNRZICOSPSBSL-UHFFFAOYSA-N 2 1 370.512 4.159 20 0 FIADMP COc1cccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC000519561696 1102644136 /nfs/dbraw/zinc/64/41/36/1102644136.db2.gz UIDGCZKVSTXRMI-KOUNCHBCSA-N 2 1 362.517 4.470 20 0 FIADMP COc1cccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC000519561696 1102644143 /nfs/dbraw/zinc/64/41/43/1102644143.db2.gz UIDGCZKVSTXRMI-KOUNCHBCSA-N 2 1 362.517 4.470 20 0 FIADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550881908 1102653680 /nfs/dbraw/zinc/65/36/80/1102653680.db2.gz FVONANQCVCXADB-VSKRKVRLSA-N 2 1 370.581 4.330 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887730 1102658190 /nfs/dbraw/zinc/65/81/90/1102658190.db2.gz ZFQBEMGUCRXEAO-UYAOXDASSA-N 2 1 370.562 4.328 20 0 FIADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648634 1102666002 /nfs/dbraw/zinc/66/60/02/1102666002.db2.gz QVWJMGABGSXCQF-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648634 1102666013 /nfs/dbraw/zinc/66/60/13/1102666013.db2.gz QVWJMGABGSXCQF-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648634 1102666017 /nfs/dbraw/zinc/66/60/17/1102666017.db2.gz QVWJMGABGSXCQF-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648634 1102666022 /nfs/dbraw/zinc/66/60/22/1102666022.db2.gz QVWJMGABGSXCQF-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648636 1102667026 /nfs/dbraw/zinc/66/70/26/1102667026.db2.gz QVWJMGABGSXCQF-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648636 1102667030 /nfs/dbraw/zinc/66/70/30/1102667030.db2.gz QVWJMGABGSXCQF-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648636 1102667034 /nfs/dbraw/zinc/66/70/34/1102667034.db2.gz QVWJMGABGSXCQF-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000537648636 1102667040 /nfs/dbraw/zinc/66/70/40/1102667040.db2.gz QVWJMGABGSXCQF-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP CC1(C)C[N@@H+](CCc2cncs2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836552 1102675329 /nfs/dbraw/zinc/67/53/29/1102675329.db2.gz LDXPYTVEWPUWLL-NRFANRHFSA-N 2 1 369.578 4.308 20 0 FIADMP CC[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000666657046 1102676402 /nfs/dbraw/zinc/67/64/02/1102676402.db2.gz KSJBPMYHIWELGI-PXNSSMCTSA-N 2 1 372.557 4.042 20 0 FIADMP Cc1nc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000664837655 1102680877 /nfs/dbraw/zinc/68/08/77/1102680877.db2.gz WXGVVMALQFKZMX-JOCHJYFZSA-N 2 1 367.537 4.414 20 0 FIADMP Cc1nc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000664837655 1102680886 /nfs/dbraw/zinc/68/08/86/1102680886.db2.gz WXGVVMALQFKZMX-JOCHJYFZSA-N 2 1 367.537 4.414 20 0 FIADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257635 1102682791 /nfs/dbraw/zinc/68/27/91/1102682791.db2.gz OTGXORYLWXCAKO-DNVJHFABSA-N 2 1 364.533 4.243 20 0 FIADMP COc1ccc(CC(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167977419 1102720038 /nfs/dbraw/zinc/72/00/38/1102720038.db2.gz CETPBWCWUVVQRI-SEJPIABJSA-N 2 1 356.554 4.259 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167977795 1102733490 /nfs/dbraw/zinc/73/34/90/1102733490.db2.gz FHLKOAMRZBIIBG-LEKVTHMOSA-N 3 1 359.602 4.154 20 0 FIADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CCCC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167977795 1102733499 /nfs/dbraw/zinc/73/34/99/1102733499.db2.gz FHLKOAMRZBIIBG-LEKVTHMOSA-N 3 1 359.602 4.154 20 0 FIADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CCCC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977795 1102733512 /nfs/dbraw/zinc/73/35/12/1102733512.db2.gz FHLKOAMRZBIIBG-LEKVTHMOSA-N 3 1 359.602 4.154 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(C2CC2)c1 ZINC000550999695 1102757784 /nfs/dbraw/zinc/75/77/84/1102757784.db2.gz UBJVMZNMTSWZFK-GOSISDBHSA-N 2 1 350.506 4.247 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000551029910 1102805989 /nfs/dbraw/zinc/80/59/89/1102805989.db2.gz SQKFEXBDULLVKZ-OCCSQVGLSA-N 2 1 357.361 4.208 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000551029910 1102806005 /nfs/dbraw/zinc/80/60/05/1102806005.db2.gz SQKFEXBDULLVKZ-OCCSQVGLSA-N 2 1 357.361 4.208 20 0 FIADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034750 1102823712 /nfs/dbraw/zinc/82/37/12/1102823712.db2.gz ONDWSQHSIROEJV-FGCOXFRFSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034750 1102823732 /nfs/dbraw/zinc/82/37/32/1102823732.db2.gz ONDWSQHSIROEJV-FGCOXFRFSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034750 1102823749 /nfs/dbraw/zinc/82/37/49/1102823749.db2.gz ONDWSQHSIROEJV-FGCOXFRFSA-N 2 1 365.565 4.322 20 0 FIADMP Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)sc1Br ZINC000506858342 1102862342 /nfs/dbraw/zinc/86/23/42/1102862342.db2.gz AUARMOINVVWQQG-UHFFFAOYSA-N 2 1 357.361 4.127 20 0 FIADMP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2)cc1 ZINC000537692745 1102872540 /nfs/dbraw/zinc/87/25/40/1102872540.db2.gz MGKFADMEAGMBQX-WXFUMESZSA-N 2 1 364.533 4.346 20 0 FIADMP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271811 1102904898 /nfs/dbraw/zinc/90/48/98/1102904898.db2.gz XIMBYRNLJCAVDM-FGZHOGPDSA-N 2 1 370.581 4.474 20 0 FIADMP Cc1ccc2nc(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246038 1103000532 /nfs/dbraw/zinc/00/05/32/1103000532.db2.gz PUUSGNMGPZUZDC-TZIWHRDSSA-N 2 1 362.521 4.033 20 0 FIADMP Cc1ccc2nc(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246037 1103001572 /nfs/dbraw/zinc/00/15/72/1103001572.db2.gz PUUSGNMGPZUZDC-PZJWPPBQSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000551279326 1103038007 /nfs/dbraw/zinc/03/80/07/1103038007.db2.gz FGJNUWNERSXYNN-RBUKOAKNSA-N 2 1 371.569 4.315 20 0 FIADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000551279326 1103038022 /nfs/dbraw/zinc/03/80/22/1103038022.db2.gz FGJNUWNERSXYNN-RBUKOAKNSA-N 2 1 371.569 4.315 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679962 1103042117 /nfs/dbraw/zinc/04/21/17/1103042117.db2.gz SJTAOMYWRGFNGH-SFHVURJKSA-N 2 1 370.562 4.463 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679962 1103042131 /nfs/dbraw/zinc/04/21/31/1103042131.db2.gz SJTAOMYWRGFNGH-SFHVURJKSA-N 2 1 370.562 4.463 20 0 FIADMP COc1ncc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000551533211 1103330851 /nfs/dbraw/zinc/33/08/51/1103330851.db2.gz LSFNZAOVGYPZBK-AWEZNQCLSA-N 2 1 351.922 4.191 20 0 FIADMP COC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789936 1103854249 /nfs/dbraw/zinc/85/42/49/1103854249.db2.gz IDSRTACGPAATKR-WIYYLYMNSA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789936 1103854269 /nfs/dbraw/zinc/85/42/69/1103854269.db2.gz IDSRTACGPAATKR-WIYYLYMNSA-N 2 1 358.913 4.139 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440813257 1103973703 /nfs/dbraw/zinc/97/37/03/1103973703.db2.gz ANPPLZAXEAAJHQ-CQSZACIVSA-N 2 1 366.431 4.093 20 0 FIADMP CC[N@@H+](CCC1CCN(Cc2nc(C3CCCC3)no2)CC1)CC1CC1 ZINC000537849885 1103984246 /nfs/dbraw/zinc/98/42/46/1103984246.db2.gz XUTHARZTLHAESY-UHFFFAOYSA-N 2 1 360.546 4.061 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1)CC1CC1 ZINC000537849885 1103984249 /nfs/dbraw/zinc/98/42/49/1103984249.db2.gz XUTHARZTLHAESY-UHFFFAOYSA-N 2 1 360.546 4.061 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1)CC1CC1 ZINC000537849885 1103984250 /nfs/dbraw/zinc/98/42/50/1103984250.db2.gz XUTHARZTLHAESY-UHFFFAOYSA-N 2 1 360.546 4.061 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000538208445 1104050619 /nfs/dbraw/zinc/05/06/19/1104050619.db2.gz OMFSMZGZPWCOHS-QFIPXVFZSA-N 2 1 368.496 4.410 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000520203313 1104171167 /nfs/dbraw/zinc/17/11/67/1104171167.db2.gz XCSBFXJNZTXZOZ-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520203313 1104171172 /nfs/dbraw/zinc/17/11/72/1104171172.db2.gz XCSBFXJNZTXZOZ-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520203313 1104171177 /nfs/dbraw/zinc/17/11/77/1104171177.db2.gz XCSBFXJNZTXZOZ-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000441180992 1104188038 /nfs/dbraw/zinc/18/80/38/1104188038.db2.gz WZOGKIQAEDDMGP-FQEVSTJZSA-N 2 1 371.569 4.016 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000112524941 1104374572 /nfs/dbraw/zinc/37/45/72/1104374572.db2.gz GGTKMPVJGFPPMH-BBWFWOEESA-N 2 1 374.475 4.425 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000048684187 1104515193 /nfs/dbraw/zinc/51/51/93/1104515193.db2.gz BXFKBFYLWBKWIP-UHFFFAOYSA-N 2 1 360.933 4.105 20 0 FIADMP c1ccc(OCC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995571 1104518187 /nfs/dbraw/zinc/51/81/87/1104518187.db2.gz JJAUVSBPEVMSLA-CBQGHPETSA-N 2 1 354.538 4.183 20 0 FIADMP c1ccc2cc(OCC[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441425121 1104563534 /nfs/dbraw/zinc/56/35/34/1104563534.db2.gz WOHDMGVPPHCSHQ-NFBKMPQASA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425121 1104563541 /nfs/dbraw/zinc/56/35/41/1104563541.db2.gz WOHDMGVPPHCSHQ-NFBKMPQASA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425121 1104563548 /nfs/dbraw/zinc/56/35/48/1104563548.db2.gz WOHDMGVPPHCSHQ-NFBKMPQASA-N 2 1 350.506 4.167 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(Cl)oc3ccccc32)C[C@H](C)O1 ZINC000536413734 1104916549 /nfs/dbraw/zinc/91/65/49/1104916549.db2.gz DJXIPGRQWQXMMC-GASCZTMLSA-N 2 1 350.890 4.065 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OCc2ccccc2)c1 ZINC000152366585 1105035588 /nfs/dbraw/zinc/03/55/88/1105035588.db2.gz ATLUSEQOOUXYDE-AZUAARDMSA-N 2 1 350.506 4.401 20 0 FIADMP CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000474010374 1105149901 /nfs/dbraw/zinc/14/99/01/1105149901.db2.gz BXCBFMXNFGWQHZ-HXUWFJFHSA-N 2 1 372.940 4.149 20 0 FIADMP COCc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000536487706 1105168229 /nfs/dbraw/zinc/16/82/29/1105168229.db2.gz GTOZUJIOABIWKK-UHFFFAOYSA-N 2 1 364.533 4.321 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3-c3ccnn3C)C2)CC1 ZINC000507834269 1105240664 /nfs/dbraw/zinc/24/06/64/1105240664.db2.gz SIBUYRQZOQMPDJ-HXUWFJFHSA-N 2 1 366.553 4.031 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427691400 1105248050 /nfs/dbraw/zinc/24/80/50/1105248050.db2.gz UMZPIJBVVYCSNL-YOEHRIQHSA-N 2 1 355.448 4.188 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427691400 1105248051 /nfs/dbraw/zinc/24/80/51/1105248051.db2.gz UMZPIJBVVYCSNL-YOEHRIQHSA-N 2 1 355.448 4.188 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)ccn1 ZINC000427868044 1105303353 /nfs/dbraw/zinc/30/33/53/1105303353.db2.gz VUAFITZFRVBWOS-NJDAHSKKSA-N 2 1 367.562 4.194 20 0 FIADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000665254927 1105351357 /nfs/dbraw/zinc/35/13/57/1105351357.db2.gz CNGBHFVPINZTIM-WBAXXEDZSA-N 2 1 358.448 4.242 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000390595056 1106738530 /nfs/dbraw/zinc/73/85/30/1106738530.db2.gz UZEYSXLLEBVRES-NZQKXSOJSA-N 2 1 352.522 4.236 20 0 FIADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCc2c[nH+]cn2C)CCC3)cc1 ZINC000530460243 1107054933 /nfs/dbraw/zinc/05/49/33/1107054933.db2.gz BXHUAPJPDHGCIJ-QGZVFWFLSA-N 2 1 352.507 4.062 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000530714389 1107261764 /nfs/dbraw/zinc/26/17/64/1107261764.db2.gz OSTYKWSJHFHDGW-NHCUHLMSSA-N 2 1 352.526 4.134 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000530914433 1107409672 /nfs/dbraw/zinc/40/96/72/1107409672.db2.gz DOXMNDXFDOPWFH-RTBURBONSA-N 2 1 374.960 4.164 20 0 FIADMP Cc1ccc(SC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCC2)cc1 ZINC000655720920 1107859771 /nfs/dbraw/zinc/85/97/71/1107859771.db2.gz JEFBFDVFTLDHQD-FQEVSTJZSA-N 2 1 374.594 4.243 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccn(-c3ccccc3)n2)cc1 ZINC000531706166 1108086203 /nfs/dbraw/zinc/08/62/03/1108086203.db2.gz CPCCWHOVUWENLY-SFHVURJKSA-N 2 1 371.488 4.260 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000531707112 1108086629 /nfs/dbraw/zinc/08/66/29/1108086629.db2.gz ZPJDGOIDLNDVSM-PMUMKWKESA-N 2 1 358.448 4.311 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000531707112 1108086645 /nfs/dbraw/zinc/08/66/45/1108086645.db2.gz ZPJDGOIDLNDVSM-PMUMKWKESA-N 2 1 358.448 4.311 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2sccc21 ZINC000453072611 1108125428 /nfs/dbraw/zinc/12/54/28/1108125428.db2.gz DUWLQVSWNAXDSB-OXQOHEQNSA-N 2 1 356.535 4.309 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453056482 1108133631 /nfs/dbraw/zinc/13/36/31/1108133631.db2.gz CGELWLXFEDDBJR-FQEVSTJZSA-N 2 1 351.538 4.355 20 0 FIADMP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2sccc21 ZINC000453059816 1108137535 /nfs/dbraw/zinc/13/75/35/1108137535.db2.gz AHRGJRBXELXSRI-UWJYYQICSA-N 2 1 369.578 4.224 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444746704 1108147715 /nfs/dbraw/zinc/14/77/15/1108147715.db2.gz YVOZHGQRFXPKJJ-AWEZNQCLSA-N 2 1 365.321 4.494 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000531785297 1108177976 /nfs/dbraw/zinc/17/79/76/1108177976.db2.gz WWFIRHXWVQWNMP-RXVVDRJESA-N 2 1 367.537 4.225 20 0 FIADMP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000523440566 1108225313 /nfs/dbraw/zinc/22/53/13/1108225313.db2.gz PDYHRSZWKDEDKU-VWKPWSFCSA-N 2 1 366.496 4.237 20 0 FIADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453169872 1108244566 /nfs/dbraw/zinc/24/45/66/1108244566.db2.gz KRMCEKXEQBNLFW-RJGXRXQPSA-N 2 1 374.532 4.138 20 0 FIADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000531851014 1108268413 /nfs/dbraw/zinc/26/84/13/1108268413.db2.gz JGHZPNBSMUPFIV-LAUBAEHRSA-N 2 1 367.537 4.223 20 0 FIADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000531851016 1108269195 /nfs/dbraw/zinc/26/91/95/1108269195.db2.gz JGHZPNBSMUPFIV-UWJYYQICSA-N 2 1 367.537 4.223 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208584 1108278218 /nfs/dbraw/zinc/27/82/18/1108278218.db2.gz CHGGIICGGLSGCJ-PZJWPPBQSA-N 2 1 374.532 4.260 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H](NC3CC([NH+]4CCCCC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453220881 1108291962 /nfs/dbraw/zinc/29/19/62/1108291962.db2.gz PKMMWUFFTDZDES-NSABXRQASA-N 2 1 367.581 4.036 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)nc2[nH]1 ZINC000453263046 1108337191 /nfs/dbraw/zinc/33/71/91/1108337191.db2.gz YLYABPCJJUQXOI-FKBYEOEOSA-N 2 1 360.505 4.096 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)nc2[nH]1 ZINC000453263046 1108337211 /nfs/dbraw/zinc/33/72/11/1108337211.db2.gz YLYABPCJJUQXOI-FKBYEOEOSA-N 2 1 360.505 4.096 20 0 FIADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453265153 1108338852 /nfs/dbraw/zinc/33/88/52/1108338852.db2.gz XHKSGOWZOVSTHT-CADBVGFASA-N 2 1 370.459 4.129 20 0 FIADMP CCN(CC)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000531932674 1108404377 /nfs/dbraw/zinc/40/43/77/1108404377.db2.gz SBSFMHHYSGTEHL-OAQYLSRUSA-N 2 1 363.977 4.187 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941917 1108420643 /nfs/dbraw/zinc/42/06/43/1108420643.db2.gz UDABSPUSPICMEQ-CVDCTZTESA-N 2 1 359.517 4.278 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941917 1108420652 /nfs/dbraw/zinc/42/06/52/1108420652.db2.gz UDABSPUSPICMEQ-CVDCTZTESA-N 2 1 359.517 4.278 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000453360459 1108465530 /nfs/dbraw/zinc/46/55/30/1108465530.db2.gz FMCGADVQVQKBCM-HLAWJBBLSA-N 2 1 353.510 4.017 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000453360459 1108465535 /nfs/dbraw/zinc/46/55/35/1108465535.db2.gz FMCGADVQVQKBCM-HLAWJBBLSA-N 2 1 353.510 4.017 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000453386199 1108472423 /nfs/dbraw/zinc/47/24/23/1108472423.db2.gz AHAPFNIWLAKDGN-KRWDZBQOSA-N 2 1 355.295 4.040 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccc(-n3cccn3)cc2)cc1 ZINC000531989781 1108473471 /nfs/dbraw/zinc/47/34/71/1108473471.db2.gz YWDLREDRLGSVLE-SFHVURJKSA-N 2 1 371.488 4.260 20 0 FIADMP CC[NH+](CC)Cc1cc([C@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)ccc1OC ZINC000453388510 1108473613 /nfs/dbraw/zinc/47/36/13/1108473613.db2.gz WOFFGNZOKRUJKD-AVRDEDQJSA-N 2 1 360.542 4.101 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2nccn21 ZINC000453364795 1108477789 /nfs/dbraw/zinc/47/77/89/1108477789.db2.gz SKEAHDBXJJGQBO-FYKMYLNBSA-N 2 1 364.537 4.169 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2nccn21 ZINC000453364795 1108477802 /nfs/dbraw/zinc/47/78/02/1108477802.db2.gz SKEAHDBXJJGQBO-FYKMYLNBSA-N 2 1 364.537 4.169 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000531970627 1108478889 /nfs/dbraw/zinc/47/88/89/1108478889.db2.gz YSALLGHHCLDMPB-KRWDZBQOSA-N 2 1 358.476 4.050 20 0 FIADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000523850867 1108588230 /nfs/dbraw/zinc/58/82/30/1108588230.db2.gz DHFZKVHCJBGDAX-WBMJQRKESA-N 2 1 374.356 4.276 20 0 FIADMP CSc1cc(Br)ccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601098 1108652095 /nfs/dbraw/zinc/65/20/95/1108652095.db2.gz UNGXQUJPPFYWIK-UHFFFAOYSA-N 2 1 357.361 4.135 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cncn2Cc2ccccc2)cc1 ZINC000445813164 1108996941 /nfs/dbraw/zinc/99/69/41/1108996941.db2.gz DRKYIZZJRZLTEI-SFHVURJKSA-N 2 1 371.488 4.276 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000524750884 1109137606 /nfs/dbraw/zinc/13/76/06/1109137606.db2.gz DVTPMUZUUMXOTN-DENIHFKCSA-N 2 1 357.586 4.145 20 0 FIADMP CC(C)[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428451635 1109313318 /nfs/dbraw/zinc/31/33/18/1109313318.db2.gz DBPXCDOFHYGIPL-YFNKSVMNSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428451635 1109313323 /nfs/dbraw/zinc/31/33/23/1109313323.db2.gz DBPXCDOFHYGIPL-YFNKSVMNSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428451635 1109313327 /nfs/dbraw/zinc/31/33/27/1109313327.db2.gz DBPXCDOFHYGIPL-YFNKSVMNSA-N 3 1 369.597 4.140 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](COCc3ccccc3)C(C)C)CC2)[nH+]1 ZINC000446834132 1109355194 /nfs/dbraw/zinc/35/51/94/1109355194.db2.gz WCXQLSFXEIJLDP-QFIPXVFZSA-N 2 1 367.537 4.190 20 0 FIADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000447513574 1109566191 /nfs/dbraw/zinc/56/61/91/1109566191.db2.gz XJJPJEXIMJTSCL-RPWUZVMVSA-N 2 1 364.533 4.493 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587042 1109588353 /nfs/dbraw/zinc/58/83/53/1109588353.db2.gz PYENBPMAUKTDRD-JENIJYKNSA-N 2 1 370.493 4.018 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447596717 1109590820 /nfs/dbraw/zinc/59/08/20/1109590820.db2.gz CLBLVHIHZKNWGO-NXWNEQKCSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447596717 1109590822 /nfs/dbraw/zinc/59/08/22/1109590822.db2.gz CLBLVHIHZKNWGO-NXWNEQKCSA-N 2 1 366.480 4.435 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000447609739 1109602070 /nfs/dbraw/zinc/60/20/70/1109602070.db2.gz YYLYZDCQRNIAQI-OYDLWJJNSA-N 2 1 364.533 4.227 20 0 FIADMP CC[N@@H+](Cc1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1)C(C)C ZINC000447956951 1109687134 /nfs/dbraw/zinc/68/71/34/1109687134.db2.gz XKCXCZVLWSLNDO-UHFFFAOYSA-N 2 1 361.449 4.282 20 0 FIADMP Fc1cc2c(cc1Cl)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000527851374 1109848019 /nfs/dbraw/zinc/84/80/19/1109848019.db2.gz ZNTURNFPTQPGLK-OAQYLSRUSA-N 2 1 374.887 4.088 20 0 FIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ncccc2F)ccc1OC ZINC000528036677 1109889781 /nfs/dbraw/zinc/88/97/81/1109889781.db2.gz XBYAMPVTIMSKPE-CVEARBPZSA-N 2 1 359.489 4.483 20 0 FIADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000449043897 1109966320 /nfs/dbraw/zinc/96/63/20/1109966320.db2.gz AJEDRZVTLKMUHV-AGILITTLSA-N 2 1 364.533 4.346 20 0 FIADMP c1c2cccnc2oc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049220 1109967782 /nfs/dbraw/zinc/96/77/82/1109967782.db2.gz RGZIZRMOFDSENN-IFMALSPDSA-N 2 1 361.489 4.314 20 0 FIADMP Fc1ccccc1-c1ncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051028 1109968340 /nfs/dbraw/zinc/96/83/40/1109968340.db2.gz WLVIAJMRSKFMEG-MGPUTAFESA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000449051028 1109968345 /nfs/dbraw/zinc/96/83/45/1109968345.db2.gz WLVIAJMRSKFMEG-MGPUTAFESA-N 2 1 371.525 4.398 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000449051028 1109968348 /nfs/dbraw/zinc/96/83/48/1109968348.db2.gz WLVIAJMRSKFMEG-MGPUTAFESA-N 2 1 371.525 4.398 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000449084106 1109970225 /nfs/dbraw/zinc/97/02/25/1109970225.db2.gz WOAVNHSDEOZESG-FCHUYYIVSA-N 3 1 371.613 4.184 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000449084106 1109970227 /nfs/dbraw/zinc/97/02/27/1109970227.db2.gz WOAVNHSDEOZESG-FCHUYYIVSA-N 2 1 371.613 4.184 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000449084106 1109970228 /nfs/dbraw/zinc/97/02/28/1109970228.db2.gz WOAVNHSDEOZESG-FCHUYYIVSA-N 2 1 371.613 4.184 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084107 1109970458 /nfs/dbraw/zinc/97/04/58/1109970458.db2.gz WOAVNHSDEOZESG-FGZHOGPDSA-N 3 1 371.613 4.184 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084107 1109970462 /nfs/dbraw/zinc/97/04/62/1109970462.db2.gz WOAVNHSDEOZESG-FGZHOGPDSA-N 2 1 371.613 4.184 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084107 1109970463 /nfs/dbraw/zinc/97/04/63/1109970463.db2.gz WOAVNHSDEOZESG-FGZHOGPDSA-N 2 1 371.613 4.184 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449073101 1109972896 /nfs/dbraw/zinc/97/28/96/1109972896.db2.gz MJBMGFDMNQPNCZ-LBPRGKRZSA-N 2 1 362.449 4.019 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449088053 1109974582 /nfs/dbraw/zinc/97/45/82/1109974582.db2.gz HSXBKGDQLCMENH-UHFFFAOYSA-N 2 1 365.493 4.441 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3ccoc32)C[C@H](C)O1 ZINC000449108968 1109977257 /nfs/dbraw/zinc/97/72/57/1109977257.db2.gz UNUJXVJHTJLUHA-HDICACEKSA-N 2 1 364.489 4.332 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3c(OC)c2)[C@H](C)C1 ZINC000449137133 1109979936 /nfs/dbraw/zinc/97/99/36/1109979936.db2.gz DQZYBVBTHXBGSA-GCJKJVERSA-N 2 1 370.537 4.075 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c(OC)cccc23)[C@@H](C)C1 ZINC000449137081 1109983828 /nfs/dbraw/zinc/98/38/28/1109983828.db2.gz DJJXNOLKXCRUQB-AVRDEDQJSA-N 2 1 370.537 4.075 20 0 FIADMP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1c(C)nn(C)c1C ZINC000449168484 1109990871 /nfs/dbraw/zinc/99/08/71/1109990871.db2.gz DOELHSWQIMNOAI-VGOFRKELSA-N 2 1 368.569 4.173 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235158 1109998864 /nfs/dbraw/zinc/99/88/64/1109998864.db2.gz TWUCPAZFXWOANW-RVSPLBMKSA-N 2 1 352.444 4.334 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449235158 1109998867 /nfs/dbraw/zinc/99/88/67/1109998867.db2.gz TWUCPAZFXWOANW-RVSPLBMKSA-N 2 1 352.444 4.334 20 0 FIADMP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000449220442 1109999857 /nfs/dbraw/zinc/99/98/57/1109999857.db2.gz QIRZCVSQOURPCJ-SFHVURJKSA-N 2 1 360.423 4.477 20 0 FIADMP CSCC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000449419715 1110068547 /nfs/dbraw/zinc/06/85/47/1110068547.db2.gz CHQZDKKVENMVSD-UHFFFAOYSA-N 2 1 364.574 4.344 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449562042 1110110796 /nfs/dbraw/zinc/11/07/96/1110110796.db2.gz ZNTIHVYOVDNNJE-MVCQKVDPSA-N 2 1 365.359 4.375 20 0 FIADMP CCCC[C@H](CC)COCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168114435 1110220088 /nfs/dbraw/zinc/22/00/88/1110220088.db2.gz CEGZPRWHNHNKLC-KRWDZBQOSA-N 2 1 358.530 4.056 20 0 FIADMP COc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538724429 1111263471 /nfs/dbraw/zinc/26/34/71/1111263471.db2.gz JJSSMFWYPUGJHE-UHFFFAOYSA-N 2 1 350.506 4.183 20 0 FIADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000538733506 1111269273 /nfs/dbraw/zinc/26/92/73/1111269273.db2.gz YODXIXGUJCREMX-QHCPKHFHSA-N 2 1 360.505 4.051 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000538733506 1111269284 /nfs/dbraw/zinc/26/92/84/1111269284.db2.gz YODXIXGUJCREMX-QHCPKHFHSA-N 2 1 360.505 4.051 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000538733506 1111269287 /nfs/dbraw/zinc/26/92/87/1111269287.db2.gz YODXIXGUJCREMX-QHCPKHFHSA-N 2 1 360.505 4.051 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750210 1111280967 /nfs/dbraw/zinc/28/09/67/1111280967.db2.gz KWRDDEQIOHEOJR-QGZVFWFLSA-N 2 1 352.469 4.069 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750210 1111280968 /nfs/dbraw/zinc/28/09/68/1111280968.db2.gz KWRDDEQIOHEOJR-QGZVFWFLSA-N 2 1 352.469 4.069 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750210 1111280970 /nfs/dbraw/zinc/28/09/70/1111280970.db2.gz KWRDDEQIOHEOJR-QGZVFWFLSA-N 2 1 352.469 4.069 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc(C)c1OC(F)F ZINC000538750210 1111280973 /nfs/dbraw/zinc/28/09/73/1111280973.db2.gz KWRDDEQIOHEOJR-QGZVFWFLSA-N 2 1 352.469 4.069 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000538796061 1111293925 /nfs/dbraw/zinc/29/39/25/1111293925.db2.gz MBHZYDRMTSGZPK-XUEUYAKLSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000538796061 1111293929 /nfs/dbraw/zinc/29/39/29/1111293929.db2.gz MBHZYDRMTSGZPK-XUEUYAKLSA-N 2 1 372.484 4.078 20 0 FIADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000461797556 1111360439 /nfs/dbraw/zinc/36/04/39/1111360439.db2.gz QXJNRCBMHIDCNI-IBGZPJMESA-N 2 1 367.940 4.080 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000539045030 1111410105 /nfs/dbraw/zinc/41/01/05/1111410105.db2.gz ZAVNLMPCWNDJNH-YLJYHZDGSA-N 2 1 371.594 4.483 20 0 FIADMP Cc1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000462038485 1111470378 /nfs/dbraw/zinc/47/03/78/1111470378.db2.gz LMBFRRFETWTCOO-UHFFFAOYSA-N 2 1 361.533 4.316 20 0 FIADMP CCCCn1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)n1 ZINC000539217992 1111479825 /nfs/dbraw/zinc/47/98/25/1111479825.db2.gz PPDKFKAWGVEDBC-INIZCTEOSA-N 2 1 351.498 4.337 20 0 FIADMP CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552047832 1111556974 /nfs/dbraw/zinc/55/69/74/1111556974.db2.gz ZZWDWZFRVYJIAF-BHIFYINESA-N 2 1 358.570 4.066 20 0 FIADMP Cc1nn(C)c(C)c1CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552061817 1111562493 /nfs/dbraw/zinc/56/24/93/1111562493.db2.gz BDYOBDFVCZOGGG-UHFFFAOYSA-N 2 1 368.569 4.002 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000552062592 1111562834 /nfs/dbraw/zinc/56/28/34/1111562834.db2.gz AGTKBNUBJBPMJL-GPJHCHHRSA-N 2 1 368.565 4.369 20 0 FIADMP c1c[nH]c([C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248547 1111627798 /nfs/dbraw/zinc/62/77/98/1111627798.db2.gz KXAAUUQDPLSHSN-IFMALSPDSA-N 2 1 366.553 4.185 20 0 FIADMP c1c[nH]c([C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CCCCC2)n1 ZINC000552248547 1111627801 /nfs/dbraw/zinc/62/78/01/1111627801.db2.gz KXAAUUQDPLSHSN-IFMALSPDSA-N 2 1 366.553 4.185 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H]2CCC[C@@H]21 ZINC000552259550 1111639086 /nfs/dbraw/zinc/63/90/86/1111639086.db2.gz KSQCGVLKMKLHLB-SQNIBIBYSA-N 2 1 361.942 4.426 20 0 FIADMP CC(C)(C)n1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000552274011 1111654304 /nfs/dbraw/zinc/65/43/04/1111654304.db2.gz ZGTAVNDUPKHBNM-UHFFFAOYSA-N 2 1 366.553 4.126 20 0 FIADMP C[NH+](C)Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000478055001 1111659440 /nfs/dbraw/zinc/65/94/40/1111659440.db2.gz RGFJLXSRQORSOU-UHFFFAOYSA-N 2 1 371.912 4.250 20 0 FIADMP COCCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000552325640 1111670244 /nfs/dbraw/zinc/67/02/44/1111670244.db2.gz XVSMJLLTFXMPCQ-QQTQMKHKSA-N 2 1 352.950 4.169 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000552588378 1111754461 /nfs/dbraw/zinc/75/44/61/1111754461.db2.gz XEEQKJDUORHAAR-IPMKNSEASA-N 2 1 371.352 4.412 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479074947 1111944711 /nfs/dbraw/zinc/94/47/11/1111944711.db2.gz HSTHTNLCSMYBLC-ACJLOTCBSA-N 2 1 362.315 4.257 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334876 1111998760 /nfs/dbraw/zinc/99/87/60/1111998760.db2.gz JVOYLKPCTVKWTG-NQIIRXRSSA-N 2 1 352.526 4.104 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334876 1111998762 /nfs/dbraw/zinc/99/87/62/1111998762.db2.gz JVOYLKPCTVKWTG-NQIIRXRSSA-N 2 1 352.526 4.104 20 0 FIADMP C[C@H](CC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)[NH+]1CCCCC1 ZINC000479452154 1112028004 /nfs/dbraw/zinc/02/80/04/1112028004.db2.gz IBXLXNHERALPHB-NQIIRXRSSA-N 2 1 352.526 4.104 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000479535722 1112060395 /nfs/dbraw/zinc/06/03/95/1112060395.db2.gz IUBNQSUBOMGGHZ-GIUOSPMZSA-N 2 1 364.961 4.313 20 0 FIADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000479543460 1112063257 /nfs/dbraw/zinc/06/32/57/1112063257.db2.gz ZXUCKWCESVNRSO-DAWZGUTISA-N 2 1 363.343 4.351 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000479877351 1112174331 /nfs/dbraw/zinc/17/43/31/1112174331.db2.gz XFCZJRGKONEURM-LBPRGKRZSA-N 2 1 355.313 4.090 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000479899247 1112180740 /nfs/dbraw/zinc/18/07/40/1112180740.db2.gz ILOSLDXVNNFBSI-MOPGFXCFSA-N 2 1 374.573 4.475 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000479899756 1112181243 /nfs/dbraw/zinc/18/12/43/1112181243.db2.gz ROGZYQFXTHAWAC-QHCPKHFHSA-N 2 1 352.522 4.396 20 0 FIADMP CCCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000479901862 1112182463 /nfs/dbraw/zinc/18/24/63/1112182463.db2.gz NFXVBCMHWUXVPR-IBGZPJMESA-N 2 1 352.522 4.322 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907152 1112193122 /nfs/dbraw/zinc/19/31/22/1112193122.db2.gz AYGYFLSRBSIGDE-SJORKVTESA-N 2 1 358.505 4.235 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907152 1112193125 /nfs/dbraw/zinc/19/31/25/1112193125.db2.gz AYGYFLSRBSIGDE-SJORKVTESA-N 2 1 358.505 4.235 20 0 FIADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369453 1112320387 /nfs/dbraw/zinc/32/03/87/1112320387.db2.gz GYHBPDIQENWHAC-ZIFCJYIRSA-N 2 1 371.500 4.181 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000554811624 1112507507 /nfs/dbraw/zinc/50/75/07/1112507507.db2.gz MHKKEPPCVNEBHA-KIZRIRGWSA-N 2 1 356.554 4.224 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000480697004 1112558783 /nfs/dbraw/zinc/55/87/83/1112558783.db2.gz KCYDSKSGQRGTOK-IPELMVKDSA-N 2 1 355.551 4.320 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480697004 1112558788 /nfs/dbraw/zinc/55/87/88/1112558788.db2.gz KCYDSKSGQRGTOK-IPELMVKDSA-N 2 1 355.551 4.320 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)CC1 ZINC000480720862 1112562475 /nfs/dbraw/zinc/56/24/75/1112562475.db2.gz LJZIZTSMPWMALQ-OAQYLSRUSA-N 2 1 369.578 4.053 20 0 FIADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000480709820 1112564114 /nfs/dbraw/zinc/56/41/14/1112564114.db2.gz OAGZZOLOXKKVSM-DEOSSOPVSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)CC[N@@H+]1C ZINC000480711087 1112565528 /nfs/dbraw/zinc/56/55/28/1112565528.db2.gz PKRFRLMBJPQQHO-NIKGAXFTSA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)CC[N@H+]1C ZINC000480711087 1112565529 /nfs/dbraw/zinc/56/55/29/1112565529.db2.gz PKRFRLMBJPQQHO-NIKGAXFTSA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745486 1112583529 /nfs/dbraw/zinc/58/35/29/1112583529.db2.gz OLIAEJIZOAIMMU-NVGVWMPQSA-N 2 1 355.295 4.112 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745486 1112583531 /nfs/dbraw/zinc/58/35/31/1112583531.db2.gz OLIAEJIZOAIMMU-NVGVWMPQSA-N 2 1 355.295 4.112 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000480779414 1112593973 /nfs/dbraw/zinc/59/39/73/1112593973.db2.gz KMOBGTBTWLPHQO-FQEVSTJZSA-N 2 1 371.594 4.286 20 0 FIADMP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000554972301 1112599818 /nfs/dbraw/zinc/59/98/18/1112599818.db2.gz JCJRYGSLLDEXEN-KRWDZBQOSA-N 2 1 370.459 4.282 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480810377 1112615964 /nfs/dbraw/zinc/61/59/64/1112615964.db2.gz DYVQUYMOWXFHPL-CVDCTZTESA-N 2 1 352.522 4.223 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000480832545 1112631881 /nfs/dbraw/zinc/63/18/81/1112631881.db2.gz KDTYQFKZPXUHBQ-SELNLUPBSA-N 2 1 370.512 4.394 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)C1 ZINC000481302052 1112886829 /nfs/dbraw/zinc/88/68/29/1112886829.db2.gz BYJKTPLNOAJDCV-SJLPKXTDSA-N 2 1 355.551 4.427 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000481580539 1112988767 /nfs/dbraw/zinc/98/87/67/1112988767.db2.gz KFCAJUZYPCFRIG-OALUTQOASA-N 2 1 352.522 4.321 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000481580539 1112988769 /nfs/dbraw/zinc/98/87/69/1112988769.db2.gz KFCAJUZYPCFRIG-OALUTQOASA-N 2 1 352.522 4.321 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481720338 1113060956 /nfs/dbraw/zinc/06/09/56/1113060956.db2.gz FJJYABIYXBYBFN-YVHKJVDXSA-N 2 1 350.506 4.107 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987862 1113145441 /nfs/dbraw/zinc/14/54/41/1113145441.db2.gz CQYZKBCDNODUCT-VQIMIIECSA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987862 1113145444 /nfs/dbraw/zinc/14/54/44/1113145444.db2.gz CQYZKBCDNODUCT-VQIMIIECSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987862 1113145447 /nfs/dbraw/zinc/14/54/47/1113145447.db2.gz CQYZKBCDNODUCT-VQIMIIECSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987862 1113145449 /nfs/dbraw/zinc/14/54/49/1113145449.db2.gz CQYZKBCDNODUCT-VQIMIIECSA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987855 1113145688 /nfs/dbraw/zinc/14/56/88/1113145688.db2.gz CQYZKBCDNODUCT-APWZRJJASA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987855 1113145689 /nfs/dbraw/zinc/14/56/89/1113145689.db2.gz CQYZKBCDNODUCT-APWZRJJASA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987855 1113145690 /nfs/dbraw/zinc/14/56/90/1113145690.db2.gz CQYZKBCDNODUCT-APWZRJJASA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)C[C@H]1C ZINC000481987855 1113145691 /nfs/dbraw/zinc/14/56/91/1113145691.db2.gz CQYZKBCDNODUCT-APWZRJJASA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992125 1113146382 /nfs/dbraw/zinc/14/63/82/1113146382.db2.gz PPDNWBVJKQGDHC-DLBZAZTESA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992125 1113146385 /nfs/dbraw/zinc/14/63/85/1113146385.db2.gz PPDNWBVJKQGDHC-DLBZAZTESA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992125 1113146388 /nfs/dbraw/zinc/14/63/88/1113146388.db2.gz PPDNWBVJKQGDHC-DLBZAZTESA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@@H]1C ZINC000481992125 1113146391 /nfs/dbraw/zinc/14/63/91/1113146391.db2.gz PPDNWBVJKQGDHC-DLBZAZTESA-N 2 1 370.493 4.038 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132458 1113178697 /nfs/dbraw/zinc/17/86/97/1113178697.db2.gz ZVGMHZYUGWJYHV-SJORKVTESA-N 2 1 356.535 4.341 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132458 1113178698 /nfs/dbraw/zinc/17/86/98/1113178698.db2.gz ZVGMHZYUGWJYHV-SJORKVTESA-N 2 1 356.535 4.341 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C ZINC000482166480 1113190248 /nfs/dbraw/zinc/19/02/48/1113190248.db2.gz VANNZERAVFSOLK-AABGKKOBSA-N 2 1 359.558 4.121 20 0 FIADMP Clc1cccc(Cl)c1CCC[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482214770 1113200902 /nfs/dbraw/zinc/20/09/02/1113200902.db2.gz ACFQGWDKIFXHPT-UHFFFAOYSA-N 2 1 371.352 4.161 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000482345930 1113230804 /nfs/dbraw/zinc/23/08/04/1113230804.db2.gz SURIJBXDBAMLFI-UGSOOPFHSA-N 2 1 369.322 4.286 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482439003 1113260012 /nfs/dbraw/zinc/26/00/12/1113260012.db2.gz NWLQIUWJEUXNBY-JTHBVZDNSA-N 2 1 364.533 4.363 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451275 1113263491 /nfs/dbraw/zinc/26/34/91/1113263491.db2.gz RXCFWQDHBBSMNC-NFBKMPQASA-N 2 1 352.522 4.301 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000482541185 1113288484 /nfs/dbraw/zinc/28/84/84/1113288484.db2.gz DZXPGHMBLOFKOT-PKOBYXMFSA-N 2 1 371.594 4.483 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2cc(OC)ccc2c1 ZINC000482867869 1113382066 /nfs/dbraw/zinc/38/20/66/1113382066.db2.gz PBFAQYQXUBVXSR-GMAHTHKFSA-N 2 1 370.537 4.126 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000482875427 1113386812 /nfs/dbraw/zinc/38/68/12/1113386812.db2.gz LWLGAGSLTNHIFF-CVDCTZTESA-N 2 1 352.522 4.241 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000483159845 1113451154 /nfs/dbraw/zinc/45/11/54/1113451154.db2.gz SNJJFVFKFIFQJB-VGOFRKELSA-N 2 1 350.506 4.498 20 0 FIADMP CCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000483157790 1113457296 /nfs/dbraw/zinc/45/72/96/1113457296.db2.gz MVDITEHNQHSBFC-GOSISDBHSA-N 2 1 353.510 4.498 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486487856 1113579859 /nfs/dbraw/zinc/57/98/59/1113579859.db2.gz KNNYKMKWXKOREK-APWZRJJASA-N 2 1 360.448 4.288 20 0 FIADMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000486521727 1113590242 /nfs/dbraw/zinc/59/02/42/1113590242.db2.gz XAIMUVYCQQSQBA-XLIONFOSSA-N 2 1 370.562 4.417 20 0 FIADMP Fc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690393 1113624314 /nfs/dbraw/zinc/62/43/14/1113624314.db2.gz SSTKKVOFZAQAPU-HNNXBMFYSA-N 2 1 357.498 4.370 20 0 FIADMP Fc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690393 1113624316 /nfs/dbraw/zinc/62/43/16/1113624316.db2.gz SSTKKVOFZAQAPU-HNNXBMFYSA-N 2 1 357.498 4.370 20 0 FIADMP Fc1ccc2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)[nH]c2c1 ZINC000486721990 1113629743 /nfs/dbraw/zinc/62/97/43/1113629743.db2.gz NIMPZNISGYRAPR-UHFFFAOYSA-N 2 1 351.469 4.104 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000488445348 1113933183 /nfs/dbraw/zinc/93/31/83/1113933183.db2.gz FRQKCBYZDFIVPS-IZBOUPIGSA-N 2 1 358.570 4.439 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000311115295 1114011572 /nfs/dbraw/zinc/01/15/72/1114011572.db2.gz PDJOORRLCDMZDO-QFIPXVFZSA-N 2 1 350.506 4.327 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489524340 1114124438 /nfs/dbraw/zinc/12/44/38/1114124438.db2.gz VCLGGPAQBCGLGD-UONOGXRCSA-N 2 1 357.311 4.359 20 0 FIADMP O=C1CCCCN1c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000151039798 1114280924 /nfs/dbraw/zinc/28/09/24/1114280924.db2.gz WXLDTXJMKZFDBT-UHFFFAOYSA-N 2 1 369.553 4.090 20 0 FIADMP [NH3+]C[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629559790 1114319954 /nfs/dbraw/zinc/31/99/54/1114319954.db2.gz CMYFQBOQLWHNMI-STQMWFEESA-N 2 1 366.880 4.281 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](CN[C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019706 1114361946 /nfs/dbraw/zinc/36/19/46/1114361946.db2.gz LGESSCDMXFYBPT-WIOPSUGQSA-N 2 1 371.528 4.325 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000491028746 1114363175 /nfs/dbraw/zinc/36/31/75/1114363175.db2.gz FWEUFDLYQYQERE-XMMPIXPASA-N 2 1 366.549 4.483 20 0 FIADMP COc1ccc([C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043182 1114366984 /nfs/dbraw/zinc/36/69/84/1114366984.db2.gz ZTBFAGWHSWHYLD-AUSIDOKSSA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043182 1114366988 /nfs/dbraw/zinc/36/69/88/1114366988.db2.gz ZTBFAGWHSWHYLD-AUSIDOKSSA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc2)cc1 ZINC000491043182 1114366992 /nfs/dbraw/zinc/36/69/92/1114366992.db2.gz ZTBFAGWHSWHYLD-AUSIDOKSSA-N 2 1 352.522 4.495 20 0 FIADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c2ccccc12 ZINC001212145507 1114428683 /nfs/dbraw/zinc/42/86/83/1114428683.db2.gz VDZDVRWAJOSURM-SFHVURJKSA-N 2 1 368.481 4.067 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000571466596 1114466137 /nfs/dbraw/zinc/46/61/37/1114466137.db2.gz BTYAFUDKVIUIDA-QZTJIDSGSA-N 2 1 353.510 4.315 20 0 FIADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000571602530 1114483088 /nfs/dbraw/zinc/48/30/88/1114483088.db2.gz HNVHOZBRDOATLI-WCRBZPEASA-N 2 1 360.505 4.083 20 0 FIADMP C[NH+](Cc1ccc(-n2cnc3ccccc32)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000571602530 1114483094 /nfs/dbraw/zinc/48/30/94/1114483094.db2.gz HNVHOZBRDOATLI-WCRBZPEASA-N 2 1 360.505 4.083 20 0 FIADMP C[NH+](Cc1ccc(-n2cnc3ccccc32)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000571602530 1114483095 /nfs/dbraw/zinc/48/30/95/1114483095.db2.gz HNVHOZBRDOATLI-WCRBZPEASA-N 2 1 360.505 4.083 20 0 FIADMP c1ccc(C2=CCC[NH+](CCCC[N@H+]3CCC=C(c4ccccn4)C3)C2)nc1 ZINC000572254384 1114619711 /nfs/dbraw/zinc/61/97/11/1114619711.db2.gz MVJXCCONESDMCW-UHFFFAOYSA-N 2 1 374.532 4.135 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000156936976 1114636187 /nfs/dbraw/zinc/63/61/87/1114636187.db2.gz WVHWRSQKPIYJKD-QGZVFWFLSA-N 2 1 371.525 4.091 20 0 FIADMP Cc1csc(C2([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CCC2)n1 ZINC000589840903 1114847804 /nfs/dbraw/zinc/84/78/04/1114847804.db2.gz WOQLMUQLXRDNBG-UHFFFAOYSA-N 2 1 371.550 4.095 20 0 FIADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000590654376 1114960037 /nfs/dbraw/zinc/96/00/37/1114960037.db2.gz ZIXUOPBFWBBHOL-VWLOTQADSA-N 2 1 364.599 4.193 20 0 FIADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)CCO2 ZINC000646103475 1114967895 /nfs/dbraw/zinc/96/78/95/1114967895.db2.gz VMRQDHQZKWCAEF-OAQYLSRUSA-N 2 1 370.924 4.226 20 0 FIADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)CCO2 ZINC000646103475 1114967900 /nfs/dbraw/zinc/96/79/00/1114967900.db2.gz VMRQDHQZKWCAEF-OAQYLSRUSA-N 2 1 370.924 4.226 20 0 FIADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)o2)cc1 ZINC000590787241 1114974448 /nfs/dbraw/zinc/97/44/48/1114974448.db2.gz WIUXBWLLLIZGDT-KRWDZBQOSA-N 2 1 356.514 4.158 20 0 FIADMP c1nc([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n2c1CCCC2 ZINC000573268145 1115088082 /nfs/dbraw/zinc/08/80/82/1115088082.db2.gz CSRWQWUQBKHFMK-HXUWFJFHSA-N 2 1 373.504 4.056 20 0 FIADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000573721806 1115177528 /nfs/dbraw/zinc/17/75/28/1115177528.db2.gz DVDRLHFFWOVCPU-LJQANCHMSA-N 2 1 356.460 4.294 20 0 FIADMP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000573721806 1115177529 /nfs/dbraw/zinc/17/75/29/1115177529.db2.gz DVDRLHFFWOVCPU-LJQANCHMSA-N 2 1 356.460 4.294 20 0 FIADMP Cn1c[nH+]cc1CCC[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000574097098 1115290047 /nfs/dbraw/zinc/29/00/47/1115290047.db2.gz RTMCSHMTFGPFEL-UHFFFAOYSA-N 2 1 369.406 4.332 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593689356 1115342237 /nfs/dbraw/zinc/34/22/37/1115342237.db2.gz HVKNVIYGIWOJJL-WOJBJXKFSA-N 2 1 358.526 4.019 20 0 FIADMP Cc1sc(C2([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CCC2)nc1-c1ccccc1F ZINC000574531244 1115413751 /nfs/dbraw/zinc/41/37/51/1115413751.db2.gz OCRYYLYHZNKNMP-LSDHHAIUSA-N 2 1 359.514 4.496 20 0 FIADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000060774030 1115703212 /nfs/dbraw/zinc/70/32/12/1115703212.db2.gz GJHSHOCZSYEIHQ-UHFFFAOYSA-N 2 1 361.873 4.380 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1F ZINC000669679727 1115774426 /nfs/dbraw/zinc/77/44/26/1115774426.db2.gz NTGZFPYPDHEKAU-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP COc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683862 1115782618 /nfs/dbraw/zinc/78/26/18/1115782618.db2.gz YTDFSULSLHMRBH-IEBWSBKVSA-N 2 1 356.485 4.225 20 0 FIADMP FC(F)(F)c1cccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000606447762 1115944840 /nfs/dbraw/zinc/94/48/40/1115944840.db2.gz IJOXBKDYXUZOOT-GOSISDBHSA-N 2 1 370.459 4.425 20 0 FIADMP CC(C)CCn1cccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000606469829 1115947888 /nfs/dbraw/zinc/94/78/88/1115947888.db2.gz PZBFDACXLHNKGN-QFIPXVFZSA-N 2 1 353.554 4.188 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000608061245 1116079900 /nfs/dbraw/zinc/07/99/00/1116079900.db2.gz JBWNQVXVKUBLBM-UGKGYDQZSA-N 2 1 374.532 4.420 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534955440 1116255927 /nfs/dbraw/zinc/25/59/27/1116255927.db2.gz BDCGVLISQKFGHJ-LJQANCHMSA-N 2 1 369.900 4.462 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000534955440 1116255929 /nfs/dbraw/zinc/25/59/29/1116255929.db2.gz BDCGVLISQKFGHJ-LJQANCHMSA-N 2 1 369.900 4.462 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000535416003 1116305763 /nfs/dbraw/zinc/30/57/63/1116305763.db2.gz YASJSIRKQWWTGL-JOCHJYFZSA-N 2 1 365.521 4.050 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577554 1116347438 /nfs/dbraw/zinc/34/74/38/1116347438.db2.gz RVMQMONLAAOIJO-ROUUACIJSA-N 2 1 351.416 4.478 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577554 1116347439 /nfs/dbraw/zinc/34/74/39/1116347439.db2.gz RVMQMONLAAOIJO-ROUUACIJSA-N 2 1 351.416 4.478 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514034 1116356821 /nfs/dbraw/zinc/35/68/21/1116356821.db2.gz OEUDNMIWEYKUFT-QUCCMNQESA-N 2 1 350.506 4.184 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@@H](C)C1 ZINC000539835155 1116388786 /nfs/dbraw/zinc/38/87/86/1116388786.db2.gz HSUCKNYYWSUSRN-BTYIYWSLSA-N 2 1 374.960 4.305 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000539898427 1117740385 /nfs/dbraw/zinc/74/03/85/1117740385.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000539898427 1117740387 /nfs/dbraw/zinc/74/03/87/1117740387.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000539898427 1117740389 /nfs/dbraw/zinc/74/03/89/1117740389.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 2 1 369.597 4.093 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Oc1ccc(Cl)cc1 ZINC000462744412 1117748860 /nfs/dbraw/zinc/74/88/60/1117748860.db2.gz GNDUKMHBRSSFLK-QGZVFWFLSA-N 2 1 358.913 4.362 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000462794317 1117777688 /nfs/dbraw/zinc/77/76/88/1117777688.db2.gz FVXIOIZWGBHNEG-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000462794317 1117777691 /nfs/dbraw/zinc/77/76/91/1117777691.db2.gz FVXIOIZWGBHNEG-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000462808194 1117788894 /nfs/dbraw/zinc/78/88/94/1117788894.db2.gz NZMLSRZKWZRTFV-SFGWALBWSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000462808194 1117788897 /nfs/dbraw/zinc/78/88/97/1117788897.db2.gz NZMLSRZKWZRTFV-SFGWALBWSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000462808195 1117789097 /nfs/dbraw/zinc/78/90/97/1117789097.db2.gz NZMLSRZKWZRTFV-ZWCUEREDSA-N 2 1 350.506 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000462808195 1117789101 /nfs/dbraw/zinc/78/91/01/1117789101.db2.gz NZMLSRZKWZRTFV-ZWCUEREDSA-N 2 1 350.506 4.412 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000462820289 1117796079 /nfs/dbraw/zinc/79/60/79/1117796079.db2.gz VCATYQCAXUEJJG-DBDQLMEASA-N 2 1 363.343 4.158 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462845975 1117816341 /nfs/dbraw/zinc/81/63/41/1117816341.db2.gz SEVLFLZJSUQRQR-DLTYFMDKSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462845975 1117816351 /nfs/dbraw/zinc/81/63/51/1117816351.db2.gz SEVLFLZJSUQRQR-DLTYFMDKSA-N 2 1 364.533 4.407 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1)CC1CC1 ZINC000540046172 1117827572 /nfs/dbraw/zinc/82/75/72/1117827572.db2.gz DDOSMURMEBCMGU-IBGZPJMESA-N 2 1 371.569 4.156 20 0 FIADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887419 1117828383 /nfs/dbraw/zinc/82/83/83/1117828383.db2.gz JMABKFIZQDTIGG-HRAATJIYSA-N 2 1 356.535 4.333 20 0 FIADMP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887419 1117828391 /nfs/dbraw/zinc/82/83/91/1117828391.db2.gz JMABKFIZQDTIGG-HRAATJIYSA-N 2 1 356.535 4.333 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000540144546 1117895792 /nfs/dbraw/zinc/89/57/92/1117895792.db2.gz ZMFBSSMJKAGGSS-DYXWJJEUSA-N 2 1 354.542 4.415 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000540137207 1117901002 /nfs/dbraw/zinc/90/10/02/1117901002.db2.gz OLEKQJFFQDZWJX-ISKFKSNPSA-N 2 1 364.533 4.061 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000540159628 1117903657 /nfs/dbraw/zinc/90/36/57/1117903657.db2.gz BFEDEZYJKKXGHY-IFMALSPDSA-N 2 1 358.570 4.126 20 0 FIADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070117 1117955576 /nfs/dbraw/zinc/95/55/76/1117955576.db2.gz CKGYQCANGRAEEV-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463070117 1117955579 /nfs/dbraw/zinc/95/55/79/1117955579.db2.gz CKGYQCANGRAEEV-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076340 1117958724 /nfs/dbraw/zinc/95/87/24/1117958724.db2.gz XHJIVYCBFUPMII-PZJWPPBQSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076340 1117958729 /nfs/dbraw/zinc/95/87/29/1117958729.db2.gz XHJIVYCBFUPMII-PZJWPPBQSA-N 2 1 368.521 4.107 20 0 FIADMP Cc1cccc(OC[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463075636 1117959483 /nfs/dbraw/zinc/95/94/83/1117959483.db2.gz CNJLSUVQCNLJLV-FQEVSTJZSA-N 2 1 352.522 4.059 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000463090663 1117962516 /nfs/dbraw/zinc/96/25/16/1117962516.db2.gz SSDMLFZBIBJDQL-OAQYLSRUSA-N 2 1 368.569 4.465 20 0 FIADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCn1c(C)nc2ccccc21 ZINC000463107247 1117967237 /nfs/dbraw/zinc/96/72/37/1117967237.db2.gz SPSAOTGNLSZIEK-UXHICEINSA-N 2 1 354.542 4.074 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463108296 1117967959 /nfs/dbraw/zinc/96/79/59/1117967959.db2.gz GHPKWYWNFYOIKU-KRWDZBQOSA-N 2 1 356.485 4.192 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000463108971 1117968706 /nfs/dbraw/zinc/96/87/06/1117968706.db2.gz IIXRUQSWZLMBDT-GHTZIAJQSA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000463108971 1117968709 /nfs/dbraw/zinc/96/87/09/1117968709.db2.gz IIXRUQSWZLMBDT-GHTZIAJQSA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000463108971 1117968713 /nfs/dbraw/zinc/96/87/13/1117968713.db2.gz IIXRUQSWZLMBDT-GHTZIAJQSA-N 2 1 356.558 4.177 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4c3cccc4F)CC2)cc1 ZINC000463115067 1117970514 /nfs/dbraw/zinc/97/05/14/1117970514.db2.gz IMUNNRMWFNGKBM-JOCHJYFZSA-N 2 1 356.460 4.249 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124308 1117973625 /nfs/dbraw/zinc/97/36/25/1117973625.db2.gz MUMRYZSQTRHSIF-BEFAXECRSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124308 1117973626 /nfs/dbraw/zinc/97/36/26/1117973626.db2.gz MUMRYZSQTRHSIF-BEFAXECRSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130464 1117976531 /nfs/dbraw/zinc/97/65/31/1117976531.db2.gz WNWLUKXCYQRGBI-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130464 1117976534 /nfs/dbraw/zinc/97/65/34/1117976534.db2.gz WNWLUKXCYQRGBI-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000540321246 1117983184 /nfs/dbraw/zinc/98/31/84/1117983184.db2.gz RGALMZUNJHIULW-FZKQIMNGSA-N 2 1 362.315 4.331 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463139616 1117986768 /nfs/dbraw/zinc/98/67/68/1117986768.db2.gz SOQIYEACZBZENG-REWPJTCUSA-N 2 1 374.532 4.058 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463139616 1117986773 /nfs/dbraw/zinc/98/67/73/1117986773.db2.gz SOQIYEACZBZENG-REWPJTCUSA-N 2 1 374.532 4.058 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463140163 1117987105 /nfs/dbraw/zinc/98/71/05/1117987105.db2.gz VCBLJVHBLHXWFM-RXVVDRJESA-N 2 1 353.510 4.012 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463140163 1117987107 /nfs/dbraw/zinc/98/71/07/1117987107.db2.gz VCBLJVHBLHXWFM-RXVVDRJESA-N 2 1 353.510 4.012 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000463158083 1117987786 /nfs/dbraw/zinc/98/77/86/1117987786.db2.gz VJJYFVDZIXGIHL-UHFFFAOYSA-N 2 1 357.464 4.434 20 0 FIADMP Cc1ccccc1OCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463150790 1117993155 /nfs/dbraw/zinc/99/31/55/1117993155.db2.gz XZMAJRXPHVPUFQ-UHFFFAOYSA-N 2 1 352.522 4.061 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463155787 1117994952 /nfs/dbraw/zinc/99/49/52/1117994952.db2.gz PJAXBAAVRIAVDD-PXNSSMCTSA-N 2 1 356.485 4.367 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463155787 1117994956 /nfs/dbraw/zinc/99/49/56/1117994956.db2.gz PJAXBAAVRIAVDD-PXNSSMCTSA-N 2 1 356.485 4.367 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000463168283 1118002185 /nfs/dbraw/zinc/00/21/85/1118002185.db2.gz YHGQYDRUGXMYSW-FQEVSTJZSA-N 2 1 352.497 4.152 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463194732 1118010514 /nfs/dbraw/zinc/01/05/14/1118010514.db2.gz ZJQIUBQHTQSYRG-UHFFFAOYSA-N 3 1 371.613 4.041 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463187614 1118016515 /nfs/dbraw/zinc/01/65/15/1118016515.db2.gz CAOWVCANWUDRRR-SBHAEUEKSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463187614 1118016522 /nfs/dbraw/zinc/01/65/22/1118016522.db2.gz CAOWVCANWUDRRR-SBHAEUEKSA-N 2 1 368.521 4.105 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463205743 1118020659 /nfs/dbraw/zinc/02/06/59/1118020659.db2.gz NKAXCFLAUQPTJK-UGKGYDQZSA-N 2 1 352.522 4.189 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463205743 1118020662 /nfs/dbraw/zinc/02/06/62/1118020662.db2.gz NKAXCFLAUQPTJK-UGKGYDQZSA-N 2 1 352.522 4.189 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540380026 1118031184 /nfs/dbraw/zinc/03/11/84/1118031184.db2.gz SCYBGVXXTSMVIE-SFHVURJKSA-N 2 1 362.315 4.475 20 0 FIADMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000540495716 1118092596 /nfs/dbraw/zinc/09/25/96/1118092596.db2.gz GCYIFLXOCWNGQX-UHFFFAOYSA-N 2 1 368.569 4.062 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)c1 ZINC000464057805 1118420699 /nfs/dbraw/zinc/42/06/99/1118420699.db2.gz OWDHZVKXXQVECW-IYWMVGAKSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)c1 ZINC000464057805 1118420702 /nfs/dbraw/zinc/42/07/02/1118420702.db2.gz OWDHZVKXXQVECW-IYWMVGAKSA-N 2 1 362.583 4.145 20 0 FIADMP CC1(C)[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000464054889 1118426809 /nfs/dbraw/zinc/42/68/09/1118426809.db2.gz HHNGZHUNEOIINE-SFTDATJTSA-N 2 1 356.554 4.193 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541348368 1118482247 /nfs/dbraw/zinc/48/22/47/1118482247.db2.gz CAUYWNUODKUTCE-CTNGQTDRSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541348368 1118482251 /nfs/dbraw/zinc/48/22/51/1118482251.db2.gz CAUYWNUODKUTCE-CTNGQTDRSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348368 1118482255 /nfs/dbraw/zinc/48/22/55/1118482255.db2.gz CAUYWNUODKUTCE-CTNGQTDRSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348368 1118482257 /nfs/dbraw/zinc/48/22/57/1118482257.db2.gz CAUYWNUODKUTCE-CTNGQTDRSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599917 1118575091 /nfs/dbraw/zinc/57/50/91/1118575091.db2.gz QGTHYHJAJMJZIR-QZTJIDSGSA-N 2 1 371.569 4.165 20 0 FIADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599917 1118575094 /nfs/dbraw/zinc/57/50/94/1118575094.db2.gz QGTHYHJAJMJZIR-QZTJIDSGSA-N 2 1 371.569 4.165 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH+]1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001168438592 1118579947 /nfs/dbraw/zinc/57/99/47/1118579947.db2.gz CESIERJVWSCTDF-DEOSSOPVSA-N 2 1 364.508 4.206 20 0 FIADMP Fc1ccc2c(c1)CC[C@H]([NH+]1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001168438592 1118579950 /nfs/dbraw/zinc/57/99/50/1118579950.db2.gz CESIERJVWSCTDF-DEOSSOPVSA-N 2 1 364.508 4.206 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000541738765 1118627478 /nfs/dbraw/zinc/62/74/78/1118627478.db2.gz OYIGZMXYUSVTNM-RZXSNQJFSA-N 2 1 369.578 4.445 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793201 1118700659 /nfs/dbraw/zinc/70/06/59/1118700659.db2.gz YISJWSYGYMEARL-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793201 1118700660 /nfs/dbraw/zinc/70/06/60/1118700660.db2.gz YISJWSYGYMEARL-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793201 1118700663 /nfs/dbraw/zinc/70/06/63/1118700663.db2.gz YISJWSYGYMEARL-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000464793201 1118700665 /nfs/dbraw/zinc/70/06/65/1118700665.db2.gz YISJWSYGYMEARL-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP COc1cc(Br)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000541925731 1118704132 /nfs/dbraw/zinc/70/41/32/1118704132.db2.gz VWISFUGMNPFFSM-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP COc1cc(Br)ccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000541925731 1118704133 /nfs/dbraw/zinc/70/41/33/1118704133.db2.gz VWISFUGMNPFFSM-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP C[N@H+](CCSc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846015 1118719241 /nfs/dbraw/zinc/71/92/41/1118719241.db2.gz IESZAUNMKAVXTP-IBGZPJMESA-N 2 1 358.526 4.372 20 0 FIADMP C[N@@H+](CCSc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846015 1118719245 /nfs/dbraw/zinc/71/92/45/1118719245.db2.gz IESZAUNMKAVXTP-IBGZPJMESA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846015 1118719250 /nfs/dbraw/zinc/71/92/50/1118719250.db2.gz IESZAUNMKAVXTP-IBGZPJMESA-N 2 1 358.526 4.372 20 0 FIADMP C[NH+](CCSc1ccccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846015 1118719253 /nfs/dbraw/zinc/71/92/53/1118719253.db2.gz IESZAUNMKAVXTP-IBGZPJMESA-N 2 1 358.526 4.372 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)CC1 ZINC000303046211 1118780715 /nfs/dbraw/zinc/78/07/15/1118780715.db2.gz UGZAZPRMKNFNBO-SFHVURJKSA-N 2 1 352.469 4.232 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)CC1 ZINC000303046211 1118780716 /nfs/dbraw/zinc/78/07/16/1118780716.db2.gz UGZAZPRMKNFNBO-SFHVURJKSA-N 2 1 352.469 4.232 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782518 1119151238 /nfs/dbraw/zinc/15/12/38/1119151238.db2.gz DVIQIKIALVBBON-XMSQKQJNSA-N 2 1 365.521 4.101 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782518 1119151242 /nfs/dbraw/zinc/15/12/42/1119151242.db2.gz DVIQIKIALVBBON-XMSQKQJNSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782518 1119151244 /nfs/dbraw/zinc/15/12/44/1119151244.db2.gz DVIQIKIALVBBON-XMSQKQJNSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782518 1119151246 /nfs/dbraw/zinc/15/12/46/1119151246.db2.gz DVIQIKIALVBBON-XMSQKQJNSA-N 2 1 365.521 4.101 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000493204659 1119339754 /nfs/dbraw/zinc/33/97/54/1119339754.db2.gz LKFQYTGSBJXCJG-UHFFFAOYSA-N 2 1 356.510 4.347 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310778972 1119343092 /nfs/dbraw/zinc/34/30/92/1119343092.db2.gz BEHBVXXYBJYVSY-WMZOPIPTSA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310778972 1119343096 /nfs/dbraw/zinc/34/30/96/1119343096.db2.gz BEHBVXXYBJYVSY-WMZOPIPTSA-N 2 1 358.913 4.349 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000493893770 1119506860 /nfs/dbraw/zinc/50/68/60/1119506860.db2.gz IZMIJFGNFSYOLM-FYYGKBSSSA-N 2 1 370.562 4.468 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000493893770 1119506864 /nfs/dbraw/zinc/50/68/64/1119506864.db2.gz IZMIJFGNFSYOLM-FYYGKBSSSA-N 2 1 370.562 4.468 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000493926965 1119509925 /nfs/dbraw/zinc/50/99/25/1119509925.db2.gz PTBVNQKIONQDBQ-FUKQBSRTSA-N 2 1 352.522 4.263 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000493926965 1119509928 /nfs/dbraw/zinc/50/99/28/1119509928.db2.gz PTBVNQKIONQDBQ-FUKQBSRTSA-N 2 1 352.522 4.263 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000493936183 1119511596 /nfs/dbraw/zinc/51/15/96/1119511596.db2.gz KCYCVXLWLHPGPU-UEXGIBASSA-N 2 1 358.551 4.326 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000493936183 1119511597 /nfs/dbraw/zinc/51/15/97/1119511597.db2.gz KCYCVXLWLHPGPU-UEXGIBASSA-N 2 1 358.551 4.326 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000542471884 1119522938 /nfs/dbraw/zinc/52/29/38/1119522938.db2.gz VKFHAQCJSPXNMF-HTAPYJJXSA-N 2 1 363.505 4.275 20 0 FIADMP CCCc1csc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000494177101 1119551534 /nfs/dbraw/zinc/55/15/34/1119551534.db2.gz UNCODCHYXALAQJ-HKUYNNGSSA-N 2 1 357.567 4.486 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccnn1-c1ccccc1 ZINC000467338777 1119638780 /nfs/dbraw/zinc/63/87/80/1119638780.db2.gz NCUYBRSMVXHJPX-GOSISDBHSA-N 2 1 352.526 4.320 20 0 FIADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000186138985 1119708255 /nfs/dbraw/zinc/70/82/55/1119708255.db2.gz MJAZGQJRAYLJLE-HUUCEWRRSA-N 2 1 350.553 4.381 20 0 FIADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000186138985 1119708258 /nfs/dbraw/zinc/70/82/58/1119708258.db2.gz MJAZGQJRAYLJLE-HUUCEWRRSA-N 2 1 350.553 4.381 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000186283481 1119718709 /nfs/dbraw/zinc/71/87/09/1119718709.db2.gz WEGMYFODEBMBJZ-GMAHTHKFSA-N 2 1 364.533 4.037 20 0 FIADMP C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187106239 1119767280 /nfs/dbraw/zinc/76/72/80/1119767280.db2.gz UYSAJYLPDKMUGX-OAHLLOKOSA-N 2 1 354.897 4.117 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494267152 1119815805 /nfs/dbraw/zinc/81/58/05/1119815805.db2.gz DOMDBPRBUBSLLS-UHFFFAOYSA-N 2 1 354.267 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494267152 1119815808 /nfs/dbraw/zinc/81/58/08/1119815808.db2.gz DOMDBPRBUBSLLS-UHFFFAOYSA-N 2 1 354.267 4.005 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000189257405 1119877399 /nfs/dbraw/zinc/87/73/99/1119877399.db2.gz WQNGHFOKUFLRJR-BUNPMSMLSA-N 2 1 356.554 4.082 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000190789692 1119949185 /nfs/dbraw/zinc/94/91/85/1119949185.db2.gz PJCUGSDIDPQNFE-UHFFFAOYSA-N 2 1 351.288 4.174 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190953313 1119955774 /nfs/dbraw/zinc/95/57/74/1119955774.db2.gz TTYPDMNFNJGJOX-SECBINFHSA-N 2 1 362.724 4.095 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190953296 1119955832 /nfs/dbraw/zinc/95/58/32/1119955832.db2.gz TTYPDMNFNJGJOX-VIFPVBQESA-N 2 1 362.724 4.095 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCS2 ZINC000191484263 1119979244 /nfs/dbraw/zinc/97/92/44/1119979244.db2.gz DBVSAMUMHMFSSG-NRFANRHFSA-N 2 1 368.546 4.486 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(C)c[nH+]3)CC1)CCS2 ZINC000191518347 1119981480 /nfs/dbraw/zinc/98/14/80/1119981480.db2.gz LIPCWPWYBWMJQK-LJQANCHMSA-N 2 1 369.534 4.194 20 0 FIADMP C[C@@H]1COCC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000192607884 1120069858 /nfs/dbraw/zinc/06/98/58/1120069858.db2.gz CANWTEBXYSOZCE-NFBKMPQASA-N 2 1 352.522 4.094 20 0 FIADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192919996 1120090596 /nfs/dbraw/zinc/09/05/96/1120090596.db2.gz YYIGKSUVJSPHGK-GOSISDBHSA-N 2 1 355.551 4.412 20 0 FIADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192919996 1120090603 /nfs/dbraw/zinc/09/06/03/1120090603.db2.gz YYIGKSUVJSPHGK-GOSISDBHSA-N 2 1 355.551 4.412 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136401 1120120809 /nfs/dbraw/zinc/12/08/09/1120120809.db2.gz SVKGHSHVDXGSST-REWPJTCUSA-N 2 1 374.532 4.104 20 0 FIADMP Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nn1C ZINC000670114316 1120342300 /nfs/dbraw/zinc/34/23/00/1120342300.db2.gz LOCMGVDTCYTYNT-DTHFOOOUSA-N 2 1 372.944 4.086 20 0 FIADMP Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1C ZINC000670114316 1120342307 /nfs/dbraw/zinc/34/23/07/1120342307.db2.gz LOCMGVDTCYTYNT-DTHFOOOUSA-N 2 1 372.944 4.086 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494926303 1120382118 /nfs/dbraw/zinc/38/21/18/1120382118.db2.gz XEMCPGJZTQZQHF-LMVRJCEZSA-N 2 1 362.533 4.251 20 0 FIADMP Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCOCC3)oc2c1 ZINC000495253782 1120584949 /nfs/dbraw/zinc/58/49/49/1120584949.db2.gz NROWGYDNUCXIRL-GOSISDBHSA-N 2 1 364.489 4.424 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000495261188 1120595063 /nfs/dbraw/zinc/59/50/63/1120595063.db2.gz VKBDMZRFRAFFFD-NRFANRHFSA-N 2 1 355.913 4.235 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000495434252 1120809886 /nfs/dbraw/zinc/80/98/86/1120809886.db2.gz REDPQJITYKWERW-SXWKCWPCSA-N 2 1 374.532 4.434 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000236808302 1120970072 /nfs/dbraw/zinc/97/00/72/1120970072.db2.gz YOIBNIGILXBQGL-NRFANRHFSA-N 2 1 368.521 4.096 20 0 FIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000236836768 1120970307 /nfs/dbraw/zinc/97/03/07/1120970307.db2.gz DABVGDNFWKUYDZ-LJQANCHMSA-N 2 1 366.553 4.047 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000236836768 1120970309 /nfs/dbraw/zinc/97/03/09/1120970309.db2.gz DABVGDNFWKUYDZ-LJQANCHMSA-N 2 1 366.553 4.047 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000237178943 1120974407 /nfs/dbraw/zinc/97/44/07/1120974407.db2.gz IMAMSRSIYAQBHB-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000237178943 1120974408 /nfs/dbraw/zinc/97/44/08/1120974408.db2.gz IMAMSRSIYAQBHB-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000762920896 1120997451 /nfs/dbraw/zinc/99/74/51/1120997451.db2.gz YOWURKOAYUQKTH-SFHVURJKSA-N 2 1 362.315 4.051 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000762920896 1120997452 /nfs/dbraw/zinc/99/74/52/1120997452.db2.gz YOWURKOAYUQKTH-SFHVURJKSA-N 2 1 362.315 4.051 20 0 FIADMP CC(C)c1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000762927837 1120998276 /nfs/dbraw/zinc/99/82/76/1120998276.db2.gz WVMXXTVGSXRQLU-UHFFFAOYSA-N 2 1 353.510 4.286 20 0 FIADMP CC(C)c1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000762927837 1120998278 /nfs/dbraw/zinc/99/82/78/1120998278.db2.gz WVMXXTVGSXRQLU-UHFFFAOYSA-N 2 1 353.510 4.286 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000915682826 1121020117 /nfs/dbraw/zinc/02/01/17/1121020117.db2.gz RUXLGPHBIWCSBU-VQTJNVASSA-N 2 1 360.542 4.371 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000915682826 1121020126 /nfs/dbraw/zinc/02/01/26/1121020126.db2.gz RUXLGPHBIWCSBU-VQTJNVASSA-N 2 1 360.542 4.371 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000765755554 1121059061 /nfs/dbraw/zinc/05/90/61/1121059061.db2.gz QUWFYNUORJOELD-INIZCTEOSA-N 2 1 372.513 4.088 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626112979 1121172846 /nfs/dbraw/zinc/17/28/46/1121172846.db2.gz YWUUGMVJTXVCOJ-UHFFFAOYSA-N 2 1 350.491 4.437 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626112979 1121172849 /nfs/dbraw/zinc/17/28/49/1121172849.db2.gz YWUUGMVJTXVCOJ-UHFFFAOYSA-N 2 1 350.491 4.437 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000398068140 1121340522 /nfs/dbraw/zinc/34/05/22/1121340522.db2.gz YIGDMANXNXNQQF-NPPFBWRTSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000398068140 1121340532 /nfs/dbraw/zinc/34/05/32/1121340532.db2.gz YIGDMANXNXNQQF-NPPFBWRTSA-N 2 1 368.521 4.265 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255481 1121452703 /nfs/dbraw/zinc/45/27/03/1121452703.db2.gz PHMAQJBTOWQZSJ-FYYLOGMGSA-N 3 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255481 1121452708 /nfs/dbraw/zinc/45/27/08/1121452708.db2.gz PHMAQJBTOWQZSJ-FYYLOGMGSA-N 2 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255481 1121452710 /nfs/dbraw/zinc/45/27/10/1121452710.db2.gz PHMAQJBTOWQZSJ-FYYLOGMGSA-N 2 1 355.570 4.168 20 0 FIADMP C[N@H+](Cc1ccccc1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255481 1121452712 /nfs/dbraw/zinc/45/27/12/1121452712.db2.gz PHMAQJBTOWQZSJ-FYYLOGMGSA-N 2 1 355.570 4.168 20 0 FIADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255481 1121452713 /nfs/dbraw/zinc/45/27/13/1121452713.db2.gz PHMAQJBTOWQZSJ-FYYLOGMGSA-N 2 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255481 1121452716 /nfs/dbraw/zinc/45/27/16/1121452716.db2.gz PHMAQJBTOWQZSJ-FYYLOGMGSA-N 2 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255481 1121452719 /nfs/dbraw/zinc/45/27/19/1121452719.db2.gz PHMAQJBTOWQZSJ-FYYLOGMGSA-N 2 1 355.570 4.168 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C)cc3)c2)CCO1 ZINC000063524642 1121569197 /nfs/dbraw/zinc/56/91/97/1121569197.db2.gz QODKZPJCNDDDMM-IBGZPJMESA-N 2 1 366.549 4.495 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C)cc3)c2)CCO1 ZINC000063524642 1121569204 /nfs/dbraw/zinc/56/92/04/1121569204.db2.gz QODKZPJCNDDDMM-IBGZPJMESA-N 2 1 366.549 4.495 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000763416488 1121585512 /nfs/dbraw/zinc/58/55/12/1121585512.db2.gz VAKJSOMTXZFVEU-CUDHKJQZSA-N 2 1 358.551 4.060 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000763416488 1121585520 /nfs/dbraw/zinc/58/55/20/1121585520.db2.gz VAKJSOMTXZFVEU-CUDHKJQZSA-N 2 1 358.551 4.060 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@@H+]1C ZINC000123993270 1121653270 /nfs/dbraw/zinc/65/32/70/1121653270.db2.gz AYQUNHLQSPFETO-UYAOXDASSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[N@H+]1C ZINC000123993270 1121653273 /nfs/dbraw/zinc/65/32/73/1121653273.db2.gz AYQUNHLQSPFETO-UYAOXDASSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993270 1121653275 /nfs/dbraw/zinc/65/32/75/1121653275.db2.gz AYQUNHLQSPFETO-UYAOXDASSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)CC[NH+]1C ZINC000123993270 1121653278 /nfs/dbraw/zinc/65/32/78/1121653278.db2.gz AYQUNHLQSPFETO-UYAOXDASSA-N 2 1 365.521 4.097 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744911 1121662919 /nfs/dbraw/zinc/66/29/19/1121662919.db2.gz DWZQZXVSCWHZBB-HUUCEWRRSA-N 2 1 371.506 4.158 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744911 1121662924 /nfs/dbraw/zinc/66/29/24/1121662924.db2.gz DWZQZXVSCWHZBB-HUUCEWRRSA-N 2 1 371.506 4.158 20 0 FIADMP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671752426 1121734541 /nfs/dbraw/zinc/73/45/41/1121734541.db2.gz XOZUJGLQHINZPU-OIULLBJASA-N 2 1 366.549 4.184 20 0 FIADMP C[C@@H](c1ccccc1)[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671752425 1121734749 /nfs/dbraw/zinc/73/47/49/1121734749.db2.gz XOZUJGLQHINZPU-LTKAXEJJSA-N 2 1 366.549 4.184 20 0 FIADMP COc1ccc2[nH]cc(C3CC[NH+](CCCCn4cc[nH+]c4C)CC3)c2c1 ZINC000125482174 1121784216 /nfs/dbraw/zinc/78/42/16/1121784216.db2.gz SEUHVDBUYNSVAG-UHFFFAOYSA-N 2 1 366.509 4.341 20 0 FIADMP Brc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)s1 ZINC000671764912 1121815693 /nfs/dbraw/zinc/81/56/93/1121815693.db2.gz UYKYVFXNUGVICK-KGLIPLIRSA-N 2 1 369.372 4.149 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125730269 1121819225 /nfs/dbraw/zinc/81/92/25/1121819225.db2.gz YLZNBVBGADXAEW-MOPGFXCFSA-N 2 1 374.573 4.331 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000126708998 1121978530 /nfs/dbraw/zinc/97/85/30/1121978530.db2.gz WWCXFMGDMZQEGI-VXGBXAGGSA-N 2 1 354.267 4.080 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000917008860 1121995325 /nfs/dbraw/zinc/99/53/25/1121995325.db2.gz SXGUFALSCXEEIA-ZHRRBRCNSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000765798085 1122014395 /nfs/dbraw/zinc/01/43/95/1122014395.db2.gz DTVSQBAXTARKCJ-LAUBAEHRSA-N 2 1 360.542 4.158 20 0 FIADMP CC(C)O[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1(C)C ZINC000765811259 1122096624 /nfs/dbraw/zinc/09/66/24/1122096624.db2.gz OYPXDXXOUHPLRU-FGZHOGPDSA-N 2 1 373.585 4.469 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168616158 1122103722 /nfs/dbraw/zinc/10/37/22/1122103722.db2.gz LOCDVNJJSBKPGN-UTYWTXRGSA-N 2 1 358.526 4.040 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000066960832 1122115883 /nfs/dbraw/zinc/11/58/83/1122115883.db2.gz RUAKTPNBOHTJSF-FQEVSTJZSA-N 2 1 373.585 4.383 20 0 FIADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000623649227 1122119166 /nfs/dbraw/zinc/11/91/66/1122119166.db2.gz PHAAZRUJEWFXIC-CTNGQTDRSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000623649227 1122119170 /nfs/dbraw/zinc/11/91/70/1122119170.db2.gz PHAAZRUJEWFXIC-CTNGQTDRSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H]3CCSc4ccc(F)cc43)CC2)[nH+]1 ZINC000128074857 1122187546 /nfs/dbraw/zinc/18/75/46/1122187546.db2.gz WBXJUODNIGOCGN-SFHVURJKSA-N 2 1 357.498 4.325 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCSc4ccc(F)cc43)CC2)[nH+]1 ZINC000128074635 1122187623 /nfs/dbraw/zinc/18/76/23/1122187623.db2.gz WBXJUODNIGOCGN-GOSISDBHSA-N 2 1 357.498 4.325 20 0 FIADMP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542693570 1122289388 /nfs/dbraw/zinc/28/93/88/1122289388.db2.gz JVPIFISCNOFNHN-OWQUAZCHSA-N 2 1 356.460 4.478 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000128460923 1122303293 /nfs/dbraw/zinc/30/32/93/1122303293.db2.gz WEULYCBQLQWJKJ-UHFFFAOYSA-N 2 1 364.331 4.345 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000497825364 1122421418 /nfs/dbraw/zinc/42/14/18/1122421418.db2.gz CDISJCNCXZKREG-QFIPXVFZSA-N 2 1 360.461 4.492 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556059161 1122624773 /nfs/dbraw/zinc/62/47/73/1122624773.db2.gz UVYVUISSCYVMNF-MOXGXCLJSA-N 2 1 360.448 4.157 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556059161 1122624777 /nfs/dbraw/zinc/62/47/77/1122624777.db2.gz UVYVUISSCYVMNF-MOXGXCLJSA-N 2 1 360.448 4.157 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@H]1c1ccccc1 ZINC000556082985 1122644474 /nfs/dbraw/zinc/64/44/74/1122644474.db2.gz XTGIYJOZTFULAW-CABCVRRESA-N 2 1 369.456 4.130 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@H]1c1ccccc1 ZINC000556082985 1122644476 /nfs/dbraw/zinc/64/44/76/1122644476.db2.gz XTGIYJOZTFULAW-CABCVRRESA-N 2 1 369.456 4.130 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094865 1122648318 /nfs/dbraw/zinc/64/83/18/1122648318.db2.gz ZGQPJHHNVKJTNG-HARLFGEKSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094865 1122648321 /nfs/dbraw/zinc/64/83/21/1122648321.db2.gz ZGQPJHHNVKJTNG-HARLFGEKSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000556104970 1122656290 /nfs/dbraw/zinc/65/62/90/1122656290.db2.gz OANNHPYKNHDELQ-JFTIXFDTSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000556104970 1122656292 /nfs/dbraw/zinc/65/62/92/1122656292.db2.gz OANNHPYKNHDELQ-JFTIXFDTSA-N 2 1 363.549 4.075 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C3)cc1 ZINC000556232900 1122749637 /nfs/dbraw/zinc/74/96/37/1122749637.db2.gz LOMLTGBMQLYOGX-WBDAEOGXSA-N 3 1 355.570 4.038 20 0 FIADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C3)cc1 ZINC000556232900 1122749640 /nfs/dbraw/zinc/74/96/40/1122749640.db2.gz LOMLTGBMQLYOGX-WBDAEOGXSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233988 1122750826 /nfs/dbraw/zinc/75/08/26/1122750826.db2.gz UJYVMEQNCIFCKZ-SIKLNZKXSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cn2ccccc2n1 ZINC000556236302 1122753923 /nfs/dbraw/zinc/75/39/23/1122753923.db2.gz PVNGCSFLJLPQDI-RBUKOAKNSA-N 2 1 362.521 4.417 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cn2ccccc2n1 ZINC000556236302 1122753928 /nfs/dbraw/zinc/75/39/28/1122753928.db2.gz PVNGCSFLJLPQDI-RBUKOAKNSA-N 2 1 362.521 4.417 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1F ZINC000556238550 1122755075 /nfs/dbraw/zinc/75/50/75/1122755075.db2.gz VPNJVZPXYBIVKS-HXUWFJFHSA-N 2 1 351.425 4.193 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000130165619 1122767768 /nfs/dbraw/zinc/76/77/68/1122767768.db2.gz GEKYWHCESGIEIE-TZIWHRDSSA-N 2 1 372.553 4.040 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498412258 1122781102 /nfs/dbraw/zinc/78/11/02/1122781102.db2.gz HDPRQIMRKUYTOW-ZHRRBRCNSA-N 2 1 360.461 4.348 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436493 1122795878 /nfs/dbraw/zinc/79/58/78/1122795878.db2.gz VQEBVLVFWZGUQG-JXFKEZNVSA-N 2 1 361.530 4.481 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436493 1122795882 /nfs/dbraw/zinc/79/58/82/1122795882.db2.gz VQEBVLVFWZGUQG-JXFKEZNVSA-N 2 1 361.530 4.481 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)cc1 ZINC000130400459 1122841943 /nfs/dbraw/zinc/84/19/43/1122841943.db2.gz WEYXPXJFCKSWJW-SFHVURJKSA-N 2 1 371.488 4.260 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130403593 1122842101 /nfs/dbraw/zinc/84/21/01/1122842101.db2.gz GJDVFRACSCNTNN-CGTJXYLNSA-N 2 1 358.448 4.103 20 0 FIADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130403593 1122842112 /nfs/dbraw/zinc/84/21/12/1122842112.db2.gz GJDVFRACSCNTNN-CGTJXYLNSA-N 2 1 358.448 4.103 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000556887499 1123164068 /nfs/dbraw/zinc/16/40/68/1123164068.db2.gz YKBVIFKIDPXNGC-XWGVYQGASA-N 2 1 363.549 4.295 20 0 FIADMP CC(C)CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000556889925 1123177535 /nfs/dbraw/zinc/17/75/35/1123177535.db2.gz KVFYDOCECGMMFE-VXKWHMMOSA-N 2 1 356.510 4.113 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000499068317 1123185162 /nfs/dbraw/zinc/18/51/62/1123185162.db2.gz HBKRKYCZTURQKN-LJQANCHMSA-N 2 1 357.404 4.172 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)CC[N@H+]1C ZINC000556914519 1123223259 /nfs/dbraw/zinc/22/32/59/1123223259.db2.gz JILBKYHSFUCFQH-OLZOCXBDSA-N 2 1 357.361 4.005 20 0 FIADMP Cc1ccccc1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499139679 1123283016 /nfs/dbraw/zinc/28/30/16/1123283016.db2.gz QTDSXKUCRNHHMU-DKUWSORSSA-N 2 1 350.506 4.159 20 0 FIADMP CCC(CC)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000499146317 1123288201 /nfs/dbraw/zinc/28/82/01/1123288201.db2.gz KUOQYSVYUBGFKU-BJESRGMDSA-N 2 1 357.586 4.138 20 0 FIADMP Fc1cc(F)cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499156467 1123289483 /nfs/dbraw/zinc/28/94/83/1123289483.db2.gz MAHICXZFWGMUIY-DKUWSORSSA-N 2 1 356.460 4.293 20 0 FIADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158122 1123298066 /nfs/dbraw/zinc/29/80/66/1123298066.db2.gz RSQKKRXQADZBKE-FXILAVBZSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232150 1123340784 /nfs/dbraw/zinc/34/07/84/1123340784.db2.gz GOWJZYVXIDNGMG-JKLQHZFJSA-N 2 1 350.506 4.239 20 0 FIADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250185 1123358065 /nfs/dbraw/zinc/35/80/65/1123358065.db2.gz LTXODGDYFUCAJX-MVWVFHAYSA-N 2 1 368.496 4.378 20 0 FIADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[N@H+](CC4CCCC4)C2)C3)cc1 ZINC000499256252 1123367061 /nfs/dbraw/zinc/36/70/61/1123367061.db2.gz PAJBZMAPPSKBJU-XQUALCHDSA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256252 1123367064 /nfs/dbraw/zinc/36/70/64/1123367064.db2.gz PAJBZMAPPSKBJU-XQUALCHDSA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256252 1123367066 /nfs/dbraw/zinc/36/70/66/1123367066.db2.gz PAJBZMAPPSKBJU-XQUALCHDSA-N 2 1 367.581 4.036 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nc2c(s1)CCC2 ZINC000134696651 1123662710 /nfs/dbraw/zinc/66/27/10/1123662710.db2.gz SPGRKKURXBCAHH-INIZCTEOSA-N 2 1 355.551 4.469 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983804 1123826901 /nfs/dbraw/zinc/82/69/01/1123826901.db2.gz CZEBZGWTIBVGIZ-NOXFTYBFSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000516983804 1123826907 /nfs/dbraw/zinc/82/69/07/1123826907.db2.gz CZEBZGWTIBVGIZ-NOXFTYBFSA-N 2 1 360.505 4.358 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000615455925 1124014225 /nfs/dbraw/zinc/01/42/25/1124014225.db2.gz SDSPDPPNCABAIN-UHFFFAOYSA-N 2 1 357.311 4.142 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)[C@H](C)C1 ZINC000245463962 1124042424 /nfs/dbraw/zinc/04/24/24/1124042424.db2.gz PCBORRLRTYOSJR-HLIPFELVSA-N 2 1 350.572 4.196 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ncc(Br)s1 ZINC000245653351 1124169377 /nfs/dbraw/zinc/16/93/77/1124169377.db2.gz KNWKIAUXKVSKDR-CHWSQXEVSA-N 2 1 360.365 4.068 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ncc(Br)s1 ZINC000245701780 1124210306 /nfs/dbraw/zinc/21/03/06/1124210306.db2.gz WSWKTZBCSMSABE-CHWSQXEVSA-N 2 1 360.365 4.211 20 0 FIADMP c1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710246 1124215704 /nfs/dbraw/zinc/21/57/04/1124215704.db2.gz NBPCMSIEKZBIEJ-DKUWSORSSA-N 2 1 374.532 4.212 20 0 FIADMP CO[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245733524 1124227501 /nfs/dbraw/zinc/22/75/01/1124227501.db2.gz QOBJSBLGUCDSKF-KAOXLYBCSA-N 2 1 350.506 4.159 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000245738536 1124231256 /nfs/dbraw/zinc/23/12/56/1124231256.db2.gz RCPYBGDKNOFTEY-QOPOCTTISA-N 2 1 362.517 4.336 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245738850 1124231452 /nfs/dbraw/zinc/23/14/52/1124231452.db2.gz REKWBRWEKQTSBJ-KOUNCHBCSA-N 2 1 374.532 4.130 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756736 1124241897 /nfs/dbraw/zinc/24/18/97/1124241897.db2.gz UXRRVHFVQYUEJX-YCAMKHIRSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756736 1124241905 /nfs/dbraw/zinc/24/19/05/1124241905.db2.gz UXRRVHFVQYUEJX-YCAMKHIRSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756736 1124241912 /nfs/dbraw/zinc/24/19/12/1124241912.db2.gz UXRRVHFVQYUEJX-YCAMKHIRSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756736 1124241918 /nfs/dbraw/zinc/24/19/18/1124241918.db2.gz UXRRVHFVQYUEJX-YCAMKHIRSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756736 1124241924 /nfs/dbraw/zinc/24/19/24/1124241924.db2.gz UXRRVHFVQYUEJX-YCAMKHIRSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756736 1124241928 /nfs/dbraw/zinc/24/19/28/1124241928.db2.gz UXRRVHFVQYUEJX-YCAMKHIRSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756736 1124241933 /nfs/dbraw/zinc/24/19/33/1124241933.db2.gz UXRRVHFVQYUEJX-YCAMKHIRSA-N 3 1 369.597 4.140 20 0 FIADMP c1[nH+]c2cc(N[C@@H]3CCNc4ccccc43)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168648044 1124325092 /nfs/dbraw/zinc/32/50/92/1124325092.db2.gz ZILDJANJUCMYEL-YLJYHZDGSA-N 2 1 361.493 4.320 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000642622017 1124338804 /nfs/dbraw/zinc/33/88/04/1124338804.db2.gz BQCHEOBPDZRQAL-KDURUIRLSA-N 2 1 352.522 4.463 20 0 FIADMP c1[nH+]c2cc(N[C@H]3CCCc4cccnc43)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168655175 1124428385 /nfs/dbraw/zinc/42/83/85/1124428385.db2.gz LJLNLNZSOWNAAZ-OALUTQOASA-N 2 1 361.493 4.235 20 0 FIADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C ZINC000542852113 1124465469 /nfs/dbraw/zinc/46/54/69/1124465469.db2.gz QPCMNONXZYERAX-OFNKIYASSA-N 2 1 366.549 4.419 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)oc2cc1C ZINC000246500355 1124518656 /nfs/dbraw/zinc/51/86/56/1124518656.db2.gz SOADPUBJPVQBDF-IOMROCGXSA-N 2 1 370.537 4.468 20 0 FIADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000246888223 1124571321 /nfs/dbraw/zinc/57/13/21/1124571321.db2.gz QUSPGCBIKARZHP-PGRDOPGGSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000246888223 1124571324 /nfs/dbraw/zinc/57/13/24/1124571324.db2.gz QUSPGCBIKARZHP-PGRDOPGGSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000246888223 1124571327 /nfs/dbraw/zinc/57/13/27/1124571327.db2.gz QUSPGCBIKARZHP-PGRDOPGGSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000246888223 1124571334 /nfs/dbraw/zinc/57/13/34/1124571334.db2.gz QUSPGCBIKARZHP-PGRDOPGGSA-N 2 1 351.494 4.099 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247943660 1124732738 /nfs/dbraw/zinc/73/27/38/1124732738.db2.gz DGZZGWVGZKJYJG-YSGRDPCXSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247943660 1124732746 /nfs/dbraw/zinc/73/27/46/1124732746.db2.gz DGZZGWVGZKJYJG-YSGRDPCXSA-N 2 1 354.485 4.143 20 0 FIADMP Cc1nc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171648 1124748638 /nfs/dbraw/zinc/74/86/38/1124748638.db2.gz UXGQUCMHUYTOIM-WMZOPIPTSA-N 2 1 359.901 4.220 20 0 FIADMP C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000248398309 1124759549 /nfs/dbraw/zinc/75/95/49/1124759549.db2.gz ISLIZXFOBITWBC-ZJOUEHCJSA-N 2 1 366.553 4.235 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000248398309 1124759558 /nfs/dbraw/zinc/75/95/58/1124759558.db2.gz ISLIZXFOBITWBC-ZJOUEHCJSA-N 2 1 366.553 4.235 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000248398309 1124759564 /nfs/dbraw/zinc/75/95/64/1124759564.db2.gz ISLIZXFOBITWBC-ZJOUEHCJSA-N 2 1 366.553 4.235 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000248457629 1124772296 /nfs/dbraw/zinc/77/22/96/1124772296.db2.gz TVMGNQQGTZXBND-UNMCSNQZSA-N 2 1 370.924 4.074 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168683921 1124800167 /nfs/dbraw/zinc/80/01/67/1124800167.db2.gz CAPXZXUBCKKIQA-LSTHTHJFSA-N 2 1 354.925 4.450 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001168683921 1124800173 /nfs/dbraw/zinc/80/01/73/1124800173.db2.gz CAPXZXUBCKKIQA-LSTHTHJFSA-N 2 1 354.925 4.450 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249205526 1124851061 /nfs/dbraw/zinc/85/10/61/1124851061.db2.gz VRWZETWYIYLZKB-VXKWHMMOSA-N 2 1 356.485 4.023 20 0 FIADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000249634304 1124870778 /nfs/dbraw/zinc/87/07/78/1124870778.db2.gz WCUQTSVGDWDPBE-QZTJIDSGSA-N 2 1 370.562 4.480 20 0 FIADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000249634304 1124870789 /nfs/dbraw/zinc/87/07/89/1124870789.db2.gz WCUQTSVGDWDPBE-QZTJIDSGSA-N 2 1 370.562 4.480 20 0 FIADMP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000089694778 1124927239 /nfs/dbraw/zinc/92/72/39/1124927239.db2.gz PCMDKNOIDAEEHH-KRWDZBQOSA-N 2 1 369.734 4.306 20 0 FIADMP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000089703436 1124929014 /nfs/dbraw/zinc/92/90/14/1124929014.db2.gz UVBAYVYRNFTYPJ-DJJJIMSYSA-N 2 1 369.336 4.071 20 0 FIADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000090937267 1125027667 /nfs/dbraw/zinc/02/76/67/1125027667.db2.gz NGBPBELWIIYDIP-CYBMUJFWSA-N 2 1 368.308 4.180 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318250 1125298113 /nfs/dbraw/zinc/29/81/13/1125298113.db2.gz UHRVSDNWKJGEDG-WZONZLPQSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318250 1125298116 /nfs/dbraw/zinc/29/81/16/1125298116.db2.gz UHRVSDNWKJGEDG-WZONZLPQSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318250 1125298122 /nfs/dbraw/zinc/29/81/22/1125298122.db2.gz UHRVSDNWKJGEDG-WZONZLPQSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000093318250 1125298126 /nfs/dbraw/zinc/29/81/26/1125298126.db2.gz UHRVSDNWKJGEDG-WZONZLPQSA-N 2 1 365.521 4.130 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000499625914 1125362606 /nfs/dbraw/zinc/36/26/06/1125362606.db2.gz OCARCOQPNUAOHM-HROJSSOGSA-N 2 1 359.517 4.481 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000065976560 568064044 /nfs/dbraw/zinc/06/40/44/568064044.db2.gz SCILYEPYLCXPTM-UHFFFAOYSA-N 2 1 362.521 4.061 20 0 FIADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccccc1 ZINC000067507222 568076391 /nfs/dbraw/zinc/07/63/91/568076391.db2.gz RRGYTBIPYGUMIN-OAQYLSRUSA-N 2 1 368.521 4.094 20 0 FIADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]cc(C)cc2C)CC3)cs1 ZINC001164694533 719808487 /nfs/dbraw/zinc/80/84/87/719808487.db2.gz ZUKKAPLURBVVKI-UHFFFAOYSA-N 2 1 356.539 4.098 20 0 FIADMP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]cc(C)cc2C)CC3)cs1 ZINC001164694533 719808489 /nfs/dbraw/zinc/80/84/89/719808489.db2.gz ZUKKAPLURBVVKI-UHFFFAOYSA-N 2 1 356.539 4.098 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000093643922 1125469982 /nfs/dbraw/zinc/46/99/82/1125469982.db2.gz JFEGPQDQPHLTKO-BLLLJJGKSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000093643922 1125469988 /nfs/dbraw/zinc/46/99/88/1125469988.db2.gz JFEGPQDQPHLTKO-BLLLJJGKSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643922 1125469993 /nfs/dbraw/zinc/46/99/93/1125469993.db2.gz JFEGPQDQPHLTKO-BLLLJJGKSA-N 2 1 355.309 4.184 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643922 1125469996 /nfs/dbraw/zinc/46/99/96/1125469996.db2.gz JFEGPQDQPHLTKO-BLLLJJGKSA-N 2 1 355.309 4.184 20 0 FIADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644119 1125470484 /nfs/dbraw/zinc/47/04/84/1125470484.db2.gz HWXPMZNUASFROC-YLJYHZDGSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644119 1125470488 /nfs/dbraw/zinc/47/04/88/1125470488.db2.gz HWXPMZNUASFROC-YLJYHZDGSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644119 1125470492 /nfs/dbraw/zinc/47/04/92/1125470492.db2.gz HWXPMZNUASFROC-YLJYHZDGSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644119 1125470495 /nfs/dbraw/zinc/47/04/95/1125470495.db2.gz HWXPMZNUASFROC-YLJYHZDGSA-N 2 1 368.521 4.285 20 0 FIADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765972583 1125516361 /nfs/dbraw/zinc/51/63/61/1125516361.db2.gz BEDDBMXOFLUIAX-RYRKJORJSA-N 2 1 373.566 4.021 20 0 FIADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCCCC2)cc1 ZINC000765972543 1125519135 /nfs/dbraw/zinc/51/91/35/1125519135.db2.gz ALZTYGHSGLLMND-ZEQRLZLVSA-N 2 1 370.581 4.411 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770081 1125519482 /nfs/dbraw/zinc/51/94/82/1125519482.db2.gz KSBSBUPRLZMCNC-FQEVSTJZSA-N 2 1 367.537 4.051 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770081 1125519489 /nfs/dbraw/zinc/51/94/89/1125519489.db2.gz KSBSBUPRLZMCNC-FQEVSTJZSA-N 2 1 367.537 4.051 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770081 1125519494 /nfs/dbraw/zinc/51/94/94/1125519494.db2.gz KSBSBUPRLZMCNC-FQEVSTJZSA-N 2 1 367.537 4.051 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000093770081 1125519500 /nfs/dbraw/zinc/51/95/00/1125519500.db2.gz KSBSBUPRLZMCNC-FQEVSTJZSA-N 2 1 367.537 4.051 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C)n2)cc1C[NH+]1CCCCC1 ZINC000182524309 1125550435 /nfs/dbraw/zinc/55/04/35/1125550435.db2.gz LYCGRPHKERUNIH-GOSISDBHSA-N 2 1 353.510 4.235 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1F ZINC000153192060 1125756534 /nfs/dbraw/zinc/75/65/34/1125756534.db2.gz YTRGPLMVDCACQJ-CYBMUJFWSA-N 2 1 357.404 4.318 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)cc1 ZINC000121253576 1079592190 /nfs/dbraw/zinc/59/21/90/1079592190.db2.gz LOPAORSGFRGTTB-VCBZYWHSSA-N 2 1 355.507 4.405 20 0 FIADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cccc(Cl)c1 ZINC000643546937 1079666651 /nfs/dbraw/zinc/66/66/51/1079666651.db2.gz WYTZBRSJJWRSHQ-PBHICJAKSA-N 2 1 358.917 4.159 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000530460148 1079732656 /nfs/dbraw/zinc/73/26/56/1079732656.db2.gz JGGGJNCLSAJCKX-QZTJIDSGSA-N 2 1 351.416 4.297 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407211 1125789151 /nfs/dbraw/zinc/78/91/51/1125789151.db2.gz GASYZKZHMGLLHU-HOTGVXAUSA-N 2 1 362.514 4.459 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407211 1125789156 /nfs/dbraw/zinc/78/91/56/1125789156.db2.gz GASYZKZHMGLLHU-HOTGVXAUSA-N 2 1 362.514 4.459 20 0 FIADMP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000471167091 1080067615 /nfs/dbraw/zinc/06/76/15/1080067615.db2.gz ABHPYDGKEKGEIR-GXTWGEPZSA-N 2 1 357.845 4.054 20 0 FIADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001140023790 1080527245 /nfs/dbraw/zinc/52/72/45/1080527245.db2.gz XSFKYWWXCIXKRI-UHFFFAOYSA-N 2 1 374.410 4.269 20 0 FIADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001140023790 1080527250 /nfs/dbraw/zinc/52/72/50/1080527250.db2.gz XSFKYWWXCIXKRI-UHFFFAOYSA-N 2 1 374.410 4.269 20 0 FIADMP COc1ccc2c(C)cc(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)[nH+]c2c1 ZINC001167161069 1080768285 /nfs/dbraw/zinc/76/82/85/1080768285.db2.gz SUSDGCLHLQCCMA-UHFFFAOYSA-N 2 1 373.500 4.193 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000398108111 1080785310 /nfs/dbraw/zinc/78/53/10/1080785310.db2.gz BZKGGEZKGJTIKC-NLSFWIRASA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000398108111 1080785317 /nfs/dbraw/zinc/78/53/17/1080785317.db2.gz BZKGGEZKGJTIKC-NLSFWIRASA-N 2 1 350.506 4.270 20 0 FIADMP Cc1ccccc1O[C@H](CC[N@@H+](C)Cc1c[nH+]ccc1N)c1ccccc1 ZINC001209730292 1080804586 /nfs/dbraw/zinc/80/45/86/1080804586.db2.gz FOCQBMONUCVDRI-HSZRJFAPSA-N 2 1 361.489 4.445 20 0 FIADMP Cc1ccccc1O[C@H](CC[N@H+](C)Cc1c[nH+]ccc1N)c1ccccc1 ZINC001209730292 1080804593 /nfs/dbraw/zinc/80/45/93/1080804593.db2.gz FOCQBMONUCVDRI-HSZRJFAPSA-N 2 1 361.489 4.445 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C3CC(OCc4ccccc4)C3)C2)CC1 ZINC001167256521 1080915698 /nfs/dbraw/zinc/91/56/98/1080915698.db2.gz YWUZJTIZVTVYDB-DDRJZQQSSA-N 2 1 356.554 4.178 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1F ZINC000121153703 1080934119 /nfs/dbraw/zinc/93/41/19/1080934119.db2.gz YFFFEVLMHYTKIJ-LJQANCHMSA-N 2 1 357.379 4.375 20 0 FIADMP c1ccc(SC2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCC2)cc1 ZINC000655710447 1081129262 /nfs/dbraw/zinc/12/92/62/1081129262.db2.gz BDEXCEQRBRGYIJ-HXUWFJFHSA-N 2 1 374.594 4.325 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655751866 1081170019 /nfs/dbraw/zinc/17/00/19/1081170019.db2.gz KVNJRRMHTIBUAE-NQIIRXRSSA-N 2 1 357.542 4.039 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655751866 1081170025 /nfs/dbraw/zinc/17/00/25/1081170025.db2.gz KVNJRRMHTIBUAE-NQIIRXRSSA-N 2 1 357.542 4.039 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758098 1081174108 /nfs/dbraw/zinc/17/41/08/1081174108.db2.gz QKGQYRIWJLSBCE-UYAOXDASSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758098 1081174110 /nfs/dbraw/zinc/17/41/10/1081174110.db2.gz QKGQYRIWJLSBCE-UYAOXDASSA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758098 1081174111 /nfs/dbraw/zinc/17/41/11/1081174111.db2.gz QKGQYRIWJLSBCE-UYAOXDASSA-N 2 1 366.553 4.232 20 0 FIADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1OC ZINC001648813878 1081215545 /nfs/dbraw/zinc/21/55/45/1081215545.db2.gz DFGABBUEQHKAQX-HZPDHXFCSA-N 2 1 368.949 4.205 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000121477697 1081243760 /nfs/dbraw/zinc/24/37/60/1081243760.db2.gz QHYFXJVJKUJEOK-GJZGRUSLSA-N 2 1 351.441 4.040 20 0 FIADMP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCCO1 ZINC000683692950 1081392130 /nfs/dbraw/zinc/39/21/30/1081392130.db2.gz YHWZRBVNUUCJJM-LRSLUSHPSA-N 2 1 356.554 4.367 20 0 FIADMP CCOCc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000151628836 1081433266 /nfs/dbraw/zinc/43/32/66/1081433266.db2.gz IZVDTEKJGZRGOU-UHFFFAOYSA-N 2 1 370.512 4.159 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)[C@@H]1c1cccs1 ZINC000683770590 1081530428 /nfs/dbraw/zinc/53/04/28/1081530428.db2.gz JPMRMSGEQUNPGX-PZJWPPBQSA-N 2 1 351.519 4.469 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)[C@@H]1c1cccs1 ZINC000683770590 1081530432 /nfs/dbraw/zinc/53/04/32/1081530432.db2.gz JPMRMSGEQUNPGX-PZJWPPBQSA-N 2 1 351.519 4.469 20 0 FIADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311133 1081824162 /nfs/dbraw/zinc/82/41/62/1081824162.db2.gz YLRLNFFVWILPAK-BDTNDASRSA-N 2 1 356.554 4.224 20 0 FIADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311133 1081824182 /nfs/dbraw/zinc/82/41/82/1081824182.db2.gz YLRLNFFVWILPAK-BDTNDASRSA-N 2 1 356.554 4.224 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4ccccc4[nH]3)CC2)cs1 ZINC000683927793 1081930026 /nfs/dbraw/zinc/93/00/26/1081930026.db2.gz YAJYKBIVMCHCAE-UHFFFAOYSA-N 2 1 368.550 4.189 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000089582482 1081934778 /nfs/dbraw/zinc/93/47/78/1081934778.db2.gz VILQQVNWSVQOFL-FVQBIDKESA-N 2 1 369.372 4.146 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125541753 1081936856 /nfs/dbraw/zinc/93/68/56/1081936856.db2.gz FMGYUWFRYKWIOX-HXUWFJFHSA-N 2 1 374.532 4.231 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125541753 1081936857 /nfs/dbraw/zinc/93/68/57/1081936857.db2.gz FMGYUWFRYKWIOX-HXUWFJFHSA-N 2 1 374.532 4.231 20 0 FIADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000471587556 1081990762 /nfs/dbraw/zinc/99/07/62/1081990762.db2.gz UXGYZESDJYSONP-CSGUBPAMSA-N 2 1 351.538 4.103 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000471587556 1081990765 /nfs/dbraw/zinc/99/07/65/1081990765.db2.gz UXGYZESDJYSONP-CSGUBPAMSA-N 2 1 351.538 4.103 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]3C2)cc1 ZINC000312889947 1081993912 /nfs/dbraw/zinc/99/39/12/1081993912.db2.gz HZIJYRRZICEWCR-FGZHOGPDSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@H]3C2)cc1 ZINC000312889947 1081993915 /nfs/dbraw/zinc/99/39/15/1081993915.db2.gz HZIJYRRZICEWCR-FGZHOGPDSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@H]3C2)cc1 ZINC000312889947 1081993920 /nfs/dbraw/zinc/99/39/20/1081993920.db2.gz HZIJYRRZICEWCR-FGZHOGPDSA-N 2 1 357.501 4.189 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4c(C)ccc(C)c43)CC2)nc(C)[nH+]1 ZINC000471596613 1082025947 /nfs/dbraw/zinc/02/59/47/1082025947.db2.gz BIYCOHQLZOLZCB-NRFANRHFSA-N 2 1 364.537 4.346 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587183 1082027878 /nfs/dbraw/zinc/02/78/78/1082027878.db2.gz XDXILIXRXFESQP-UEVCKROQSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC000580587183 1082027884 /nfs/dbraw/zinc/02/78/84/1082027884.db2.gz XDXILIXRXFESQP-UEVCKROQSA-N 2 1 352.522 4.264 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[NH+]3CCC(C)CC3)cn2c1 ZINC000581002660 1082276364 /nfs/dbraw/zinc/27/63/64/1082276364.db2.gz INIMDCGHVMYRKG-UHFFFAOYSA-N 2 1 362.521 4.164 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CC2)cc1 ZINC000128043885 1082291040 /nfs/dbraw/zinc/29/10/40/1082291040.db2.gz ATKOEWGEFHLXIE-VXNXHJTFSA-N 2 1 364.508 4.008 20 0 FIADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCCC3CCOCC3)C2)cc1 ZINC000656401794 1082333236 /nfs/dbraw/zinc/33/32/36/1082333236.db2.gz JBKMPKFAUYAPGF-ZJZGAYNASA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCCC3CCOCC3)C2)cc1 ZINC000656401794 1082333244 /nfs/dbraw/zinc/33/32/44/1082333244.db2.gz JBKMPKFAUYAPGF-ZJZGAYNASA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CCCC3CCOCC3)C2)cc1 ZINC000656401794 1082333252 /nfs/dbraw/zinc/33/32/52/1082333252.db2.gz JBKMPKFAUYAPGF-ZJZGAYNASA-N 2 1 368.565 4.036 20 0 FIADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1Oc1cccnc1 ZINC000581539781 1082649360 /nfs/dbraw/zinc/64/93/60/1082649360.db2.gz URMLUYGXBABDPE-JOCHJYFZSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1Oc1cccnc1 ZINC000581539781 1082649364 /nfs/dbraw/zinc/64/93/64/1082649364.db2.gz URMLUYGXBABDPE-JOCHJYFZSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1Oc1cccnc1 ZINC000581539781 1082649368 /nfs/dbraw/zinc/64/93/68/1082649368.db2.gz URMLUYGXBABDPE-JOCHJYFZSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1Oc1cccnc1 ZINC000581539781 1082649373 /nfs/dbraw/zinc/64/93/73/1082649373.db2.gz URMLUYGXBABDPE-JOCHJYFZSA-N 2 1 351.494 4.100 20 0 FIADMP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000090176700 1082675431 /nfs/dbraw/zinc/67/54/31/1082675431.db2.gz MTRSMNZIUXIKHI-BTYIYWSLSA-N 2 1 353.441 4.358 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000581681774 1082796528 /nfs/dbraw/zinc/79/65/28/1082796528.db2.gz HTVVTVBJLZIPHV-ROUUACIJSA-N 2 1 370.459 4.042 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000581681775 1082796991 /nfs/dbraw/zinc/79/69/91/1082796991.db2.gz HTVVTVBJLZIPHV-ZWKOTPCHSA-N 2 1 370.459 4.042 20 0 FIADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000581913465 1083030185 /nfs/dbraw/zinc/03/01/85/1083030185.db2.gz JOAKOAIRGDSBGV-NRFANRHFSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000581913465 1083030188 /nfs/dbraw/zinc/03/01/88/1083030188.db2.gz JOAKOAIRGDSBGV-NRFANRHFSA-N 2 1 362.521 4.035 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000581973058 1083120214 /nfs/dbraw/zinc/12/02/14/1083120214.db2.gz VVVHOVOPPBZOAK-ABPVARSCSA-N 2 1 352.469 4.401 20 0 FIADMP C[C@H]([NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)c1nccn1C ZINC000658336114 1083412944 /nfs/dbraw/zinc/41/29/44/1083412944.db2.gz NQPBFHUVHRZNFK-GHTZIAJQSA-N 2 1 372.532 4.463 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000548485802 1083480442 /nfs/dbraw/zinc/48/04/42/1083480442.db2.gz KEMFEWITUYQIQJ-JLMWRMLUSA-N 2 1 366.505 4.019 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000548485802 1083480447 /nfs/dbraw/zinc/48/04/47/1083480447.db2.gz KEMFEWITUYQIQJ-JLMWRMLUSA-N 2 1 366.505 4.019 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000510934366 1083509206 /nfs/dbraw/zinc/50/92/06/1083509206.db2.gz YGLSJQRZNUBXIY-MRXNPFEDSA-N 2 1 368.706 4.275 20 0 FIADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000510961561 1083540514 /nfs/dbraw/zinc/54/05/14/1083540514.db2.gz MMOMJZFAULKSAJ-IRXDYDNUSA-N 2 1 372.475 4.117 20 0 FIADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000510961561 1083540519 /nfs/dbraw/zinc/54/05/19/1083540519.db2.gz MMOMJZFAULKSAJ-IRXDYDNUSA-N 2 1 372.475 4.117 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCn3cc[nH+]c3C)s2)cc1 ZINC000510978574 1083553783 /nfs/dbraw/zinc/55/37/83/1083553783.db2.gz TUBIFKSXVUHHFB-CQSZACIVSA-N 2 1 370.522 4.373 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000510977817 1083553879 /nfs/dbraw/zinc/55/38/79/1083553879.db2.gz JSAOMVOKXBOSNP-ODAXIHTASA-N 2 1 370.581 4.472 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000510977817 1083553888 /nfs/dbraw/zinc/55/38/88/1083553888.db2.gz JSAOMVOKXBOSNP-ODAXIHTASA-N 2 1 370.581 4.472 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccn2CCC(C)C)cc1F ZINC000236642458 1083876971 /nfs/dbraw/zinc/87/69/71/1083876971.db2.gz CTDLTOCHZHRCDQ-UHFFFAOYSA-N 2 1 354.473 4.457 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236599492 1083950863 /nfs/dbraw/zinc/95/08/63/1083950863.db2.gz UIVJZGRYJTXQLI-UHFFFAOYSA-N 2 1 355.309 4.232 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000510993922 1083954479 /nfs/dbraw/zinc/95/44/79/1083954479.db2.gz OZNXMPFNJJDIKZ-KRWDZBQOSA-N 2 1 352.507 4.372 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(-c2cnn(C)c2)c1 ZINC000548984372 1084328212 /nfs/dbraw/zinc/32/82/12/1084328212.db2.gz LBNCMPGYIFPILZ-LJQANCHMSA-N 2 1 354.542 4.140 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226911 1084779935 /nfs/dbraw/zinc/77/99/35/1084779935.db2.gz HYQBZXOAUJWBPN-ZBFHGGJFSA-N 2 1 365.543 4.011 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226911 1084779944 /nfs/dbraw/zinc/77/99/44/1084779944.db2.gz HYQBZXOAUJWBPN-ZBFHGGJFSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226911 1084779952 /nfs/dbraw/zinc/77/99/52/1084779952.db2.gz HYQBZXOAUJWBPN-ZBFHGGJFSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000892226911 1084779962 /nfs/dbraw/zinc/77/99/62/1084779962.db2.gz HYQBZXOAUJWBPN-ZBFHGGJFSA-N 2 1 365.543 4.011 20 0 FIADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000657373942 1084795298 /nfs/dbraw/zinc/79/52/98/1084795298.db2.gz AZDUGIDHGSKEMT-MAUKXSAKSA-N 2 1 350.553 4.129 20 0 FIADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000657373942 1084795302 /nfs/dbraw/zinc/79/53/02/1084795302.db2.gz AZDUGIDHGSKEMT-MAUKXSAKSA-N 2 1 350.553 4.129 20 0 FIADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1cccc(Cl)c1 ZINC000414202363 1084799131 /nfs/dbraw/zinc/79/91/31/1084799131.db2.gz ZCDNGXYTROYBRL-RDJZCZTQSA-N 2 1 360.933 4.217 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000613491350 1084819351 /nfs/dbraw/zinc/81/93/51/1084819351.db2.gz OVUUDAVSYFILAY-UHFFFAOYSA-N 2 1 359.489 4.425 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3sccc3Cl)CC2)CC1 ZINC000549041100 1084884961 /nfs/dbraw/zinc/88/49/61/1084884961.db2.gz WIEQHONOFVVZQY-UHFFFAOYSA-N 2 1 370.006 4.030 20 0 FIADMP CCc1ccc([C@@H]2CCCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000472584594 1085047723 /nfs/dbraw/zinc/04/77/23/1085047723.db2.gz VLJUMWKWDZFUDS-NRFANRHFSA-N 2 1 361.574 4.175 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C2CCCCC2)cc1)C1CC1 ZINC000511861401 1085186458 /nfs/dbraw/zinc/18/64/58/1085186458.db2.gz BLMMYCFHORLZDJ-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1)C1CC1 ZINC000511861401 1085186462 /nfs/dbraw/zinc/18/64/62/1085186462.db2.gz BLMMYCFHORLZDJ-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1)C1CC1 ZINC000511861401 1085186466 /nfs/dbraw/zinc/18/64/66/1085186466.db2.gz BLMMYCFHORLZDJ-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+](C)C2CCCCC2)cc1 ZINC000511865381 1085208332 /nfs/dbraw/zinc/20/83/32/1085208332.db2.gz OKZWICOVXFHVML-UHFFFAOYSA-N 2 1 373.585 4.255 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1 ZINC000511865381 1085208341 /nfs/dbraw/zinc/20/83/41/1085208341.db2.gz OKZWICOVXFHVML-UHFFFAOYSA-N 2 1 373.585 4.255 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000511865381 1085208356 /nfs/dbraw/zinc/20/83/56/1085208356.db2.gz OKZWICOVXFHVML-UHFFFAOYSA-N 2 1 373.585 4.255 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955951 1085311392 /nfs/dbraw/zinc/31/13/92/1085311392.db2.gz UAAIAXGHOHIOMK-IFMALSPDSA-N 2 1 374.532 4.435 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000684955951 1085311409 /nfs/dbraw/zinc/31/14/09/1085311409.db2.gz UAAIAXGHOHIOMK-IFMALSPDSA-N 2 1 374.532 4.435 20 0 FIADMP C[N@H+](Cc1ccc(F)c2cccnc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110187 1085553856 /nfs/dbraw/zinc/55/38/56/1085553856.db2.gz DBNBQKJUWYSTOD-IBGZPJMESA-N 2 1 363.480 4.328 20 0 FIADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110187 1085553866 /nfs/dbraw/zinc/55/38/66/1085553866.db2.gz DBNBQKJUWYSTOD-IBGZPJMESA-N 2 1 363.480 4.328 20 0 FIADMP C[NH+](Cc1ccc(F)c2cccnc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110187 1085553881 /nfs/dbraw/zinc/55/38/81/1085553881.db2.gz DBNBQKJUWYSTOD-IBGZPJMESA-N 2 1 363.480 4.328 20 0 FIADMP CC[N@@H+](CCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C1CCCCC1 ZINC000651910346 1085632181 /nfs/dbraw/zinc/63/21/81/1085632181.db2.gz QABWLXHNQPFONT-UHFFFAOYSA-N 2 1 365.606 4.048 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000657590114 1085644911 /nfs/dbraw/zinc/64/49/11/1085644911.db2.gz PJTVHLAVLMVVQT-DENIHFKCSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000657590114 1085644917 /nfs/dbraw/zinc/64/49/17/1085644917.db2.gz PJTVHLAVLMVVQT-DENIHFKCSA-N 2 1 359.517 4.420 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000642643601 1085777108 /nfs/dbraw/zinc/77/71/08/1085777108.db2.gz DFQCSLBJZGKMJM-UHFFFAOYSA-N 2 1 357.311 4.142 20 0 FIADMP CC(C)OC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000090771403 1085885488 /nfs/dbraw/zinc/88/54/88/1085885488.db2.gz LTSFGQJNYUHXAY-UHFFFAOYSA-N 2 1 362.533 4.158 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636580 1085906276 /nfs/dbraw/zinc/90/62/76/1085906276.db2.gz OGDFCYGMSIJMHW-FHLIZLRMSA-N 2 1 371.550 4.405 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636580 1085906279 /nfs/dbraw/zinc/90/62/79/1085906279.db2.gz OGDFCYGMSIJMHW-FHLIZLRMSA-N 2 1 371.550 4.405 20 0 FIADMP c1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)onc1-c1ccccc1 ZINC000582957379 1085962600 /nfs/dbraw/zinc/96/26/00/1085962600.db2.gz UAVYKYVMJANYLU-FGZHOGPDSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)onc1-c1ccccc1 ZINC000582957379 1085962602 /nfs/dbraw/zinc/96/26/02/1085962602.db2.gz UAVYKYVMJANYLU-FGZHOGPDSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)onc1-c1ccccc1 ZINC000582957379 1085962607 /nfs/dbraw/zinc/96/26/07/1085962607.db2.gz UAVYKYVMJANYLU-FGZHOGPDSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)onc1-c1ccccc1 ZINC000582957379 1085962615 /nfs/dbraw/zinc/96/26/15/1085962615.db2.gz UAVYKYVMJANYLU-FGZHOGPDSA-N 2 1 373.500 4.296 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121483625 1085965258 /nfs/dbraw/zinc/96/52/58/1085965258.db2.gz VDRYZNKAJVTDQE-KGLIPLIRSA-N 2 1 355.511 4.005 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164657412 1085967437 /nfs/dbraw/zinc/96/74/37/1085967437.db2.gz PHKXTWZHGRTJLU-CQSZACIVSA-N 2 1 355.511 4.149 20 0 FIADMP CN(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC001167646579 1086010588 /nfs/dbraw/zinc/01/05/88/1086010588.db2.gz FKJDLBKNWSNSFQ-LADGPHEKSA-N 2 1 363.549 4.109 20 0 FIADMP C[C@H](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053746 1086182593 /nfs/dbraw/zinc/18/25/93/1086182593.db2.gz YCEMTOUNKUBYPY-ADHNFCLRSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053746 1086182596 /nfs/dbraw/zinc/18/25/96/1086182596.db2.gz YCEMTOUNKUBYPY-ADHNFCLRSA-N 3 1 355.570 4.036 20 0 FIADMP C[C@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053746 1086182600 /nfs/dbraw/zinc/18/26/00/1086182600.db2.gz YCEMTOUNKUBYPY-ADHNFCLRSA-N 3 1 355.570 4.036 20 0 FIADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158221 1086216271 /nfs/dbraw/zinc/21/62/71/1086216271.db2.gz UBBFIHFITFSZRQ-HNNXBMFYSA-N 2 1 353.432 4.325 20 0 FIADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158221 1086216281 /nfs/dbraw/zinc/21/62/81/1086216281.db2.gz UBBFIHFITFSZRQ-HNNXBMFYSA-N 2 1 353.432 4.325 20 0 FIADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173111 1086350747 /nfs/dbraw/zinc/35/07/47/1086350747.db2.gz VVZXCWJZCDFNEA-KXBFYZLASA-N 2 1 358.913 4.113 20 0 FIADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173111 1086350760 /nfs/dbraw/zinc/35/07/60/1086350760.db2.gz VVZXCWJZCDFNEA-KXBFYZLASA-N 2 1 358.913 4.113 20 0 FIADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344069 1086443071 /nfs/dbraw/zinc/44/30/71/1086443071.db2.gz NIZATNXYBHVZNG-FQEVSTJZSA-N 2 1 369.578 4.140 20 0 FIADMP c1nc(CCc2ccccc2)sc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344069 1086443080 /nfs/dbraw/zinc/44/30/80/1086443080.db2.gz NIZATNXYBHVZNG-FQEVSTJZSA-N 2 1 369.578 4.140 20 0 FIADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccc(OC)cc1 ZINC000162747495 1086458980 /nfs/dbraw/zinc/45/89/80/1086458980.db2.gz QXVLWZSGJAVUMI-OAQYLSRUSA-N 2 1 371.525 4.253 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162787503 1086482923 /nfs/dbraw/zinc/48/29/23/1086482923.db2.gz SDAKHRXFEXNCJN-KRWDZBQOSA-N 2 1 371.525 4.253 20 0 FIADMP C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989775 1086583428 /nfs/dbraw/zinc/58/34/28/1086583428.db2.gz MEOUPPNUBBRVBC-DQHWKFJXSA-N 2 1 356.460 4.478 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833373 1086665097 /nfs/dbraw/zinc/66/50/97/1086665097.db2.gz AMOSSNKZFOOGFR-MOPGFXCFSA-N 2 1 369.594 4.218 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000236824206 1086702252 /nfs/dbraw/zinc/70/22/52/1086702252.db2.gz YAIFOUYMDDKSED-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001167840007 1086719143 /nfs/dbraw/zinc/71/91/43/1086719143.db2.gz DGITWYTUBMDYIA-GBESFXJTSA-N 2 1 369.594 4.265 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000166686182 1086723458 /nfs/dbraw/zinc/72/34/58/1086723458.db2.gz RWJYXECUKKQGNZ-SBKBGZGTSA-N 2 1 367.518 4.330 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432409657 1086731319 /nfs/dbraw/zinc/73/13/19/1086731319.db2.gz HUFKTFOPZPZIEB-OFNKIYASSA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432409657 1086731323 /nfs/dbraw/zinc/73/13/23/1086731323.db2.gz HUFKTFOPZPZIEB-OFNKIYASSA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432409657 1086731328 /nfs/dbraw/zinc/73/13/28/1086731328.db2.gz HUFKTFOPZPZIEB-OFNKIYASSA-N 2 1 352.522 4.175 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413920 1086740262 /nfs/dbraw/zinc/74/02/62/1086740262.db2.gz OXCBVGQTPTUXEU-OIBXWCBGSA-N 2 1 374.569 4.200 20 0 FIADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432413920 1086740267 /nfs/dbraw/zinc/74/02/67/1086740267.db2.gz OXCBVGQTPTUXEU-OIBXWCBGSA-N 2 1 374.569 4.200 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427660 1086757836 /nfs/dbraw/zinc/75/78/36/1086757836.db2.gz DEAAFLUMQFXEHA-XXBNENTESA-N 2 1 370.512 4.200 20 0 FIADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(C(F)(F)F)cc1 ZINC000650708783 1086767148 /nfs/dbraw/zinc/76/71/48/1086767148.db2.gz MHIOKPBKNUIRMF-IWKCEXAMSA-N 2 1 370.459 4.027 20 0 FIADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000512100504 1086769171 /nfs/dbraw/zinc/76/91/71/1086769171.db2.gz PDXBULQUNHPWAG-QPJJXVBHSA-N 2 1 356.460 4.275 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773403 1086834040 /nfs/dbraw/zinc/83/40/40/1086834040.db2.gz RIDPVZYOPUJODQ-PXNSSMCTSA-N 2 1 353.485 4.174 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773413 1086834277 /nfs/dbraw/zinc/83/42/77/1086834277.db2.gz RMLHAPMZEVZWDJ-JOCHJYFZSA-N 2 1 366.553 4.164 20 0 FIADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccc(C(F)(F)F)cc1 ZINC000650724479 1086837158 /nfs/dbraw/zinc/83/71/58/1086837158.db2.gz HAVLNZVUDXXYLF-UTRMSSBJSA-N 2 1 370.459 4.170 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170645 1086873535 /nfs/dbraw/zinc/87/35/35/1086873535.db2.gz SVOPCIGLCUBXNW-RBUKOAKNSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170645 1086873541 /nfs/dbraw/zinc/87/35/41/1086873541.db2.gz SVOPCIGLCUBXNW-RBUKOAKNSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170645 1086873554 /nfs/dbraw/zinc/87/35/54/1086873554.db2.gz SVOPCIGLCUBXNW-RBUKOAKNSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170645 1086873565 /nfs/dbraw/zinc/87/35/65/1086873565.db2.gz SVOPCIGLCUBXNW-RBUKOAKNSA-N 2 1 352.526 4.163 20 0 FIADMP COCc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1F ZINC000151205700 1087038850 /nfs/dbraw/zinc/03/88/50/1087038850.db2.gz MAUXXBZDOPKCBB-OAHLLOKOSA-N 2 1 353.441 4.317 20 0 FIADMP COCCCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536205598 1087146363 /nfs/dbraw/zinc/14/63/63/1087146363.db2.gz WLMYCJKFHLKICR-UHFFFAOYSA-N 2 1 372.475 4.418 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2cc1OC ZINC000657839563 1087266528 /nfs/dbraw/zinc/26/65/28/1087266528.db2.gz CEOWKLFVPGAGOZ-BEVDRBHNSA-N 2 1 354.494 4.134 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000086254594 1087371240 /nfs/dbraw/zinc/37/12/40/1087371240.db2.gz MNMPKGCIJDUVGO-WMZOPIPTSA-N 2 1 351.416 4.206 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000086254594 1087371242 /nfs/dbraw/zinc/37/12/42/1087371242.db2.gz MNMPKGCIJDUVGO-WMZOPIPTSA-N 2 1 351.416 4.206 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000089621916 1087388514 /nfs/dbraw/zinc/38/85/14/1087388514.db2.gz ALQPVLZGGJZUOR-SFHVURJKSA-N 2 1 370.512 4.062 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1)C1CC1 ZINC000536215354 1087467937 /nfs/dbraw/zinc/46/79/37/1087467937.db2.gz PVAIGBKJQBXMCN-UHFFFAOYSA-N 2 1 365.521 4.293 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)[C@H](C)C1 ZINC000657884435 1087529037 /nfs/dbraw/zinc/52/90/37/1087529037.db2.gz UHSJMKHDBXGXON-NUJGCVRESA-N 2 1 361.555 4.084 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443106 1087569856 /nfs/dbraw/zinc/56/98/56/1087569856.db2.gz YGEUTJZLPVVYQQ-DEOSSOPVSA-N 2 1 372.516 4.175 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443106 1087569859 /nfs/dbraw/zinc/56/98/59/1087569859.db2.gz YGEUTJZLPVVYQQ-DEOSSOPVSA-N 2 1 372.516 4.175 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000685443106 1087569862 /nfs/dbraw/zinc/56/98/62/1087569862.db2.gz YGEUTJZLPVVYQQ-DEOSSOPVSA-N 2 1 372.516 4.175 20 0 FIADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000685443106 1087569866 /nfs/dbraw/zinc/56/98/66/1087569866.db2.gz YGEUTJZLPVVYQQ-DEOSSOPVSA-N 2 1 372.516 4.175 20 0 FIADMP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470126 1087578547 /nfs/dbraw/zinc/57/85/47/1087578547.db2.gz ZEYLIQHGSNNQOK-JOCHJYFZSA-N 2 1 353.510 4.139 20 0 FIADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](C)c1cccnc1 ZINC000685469911 1087578557 /nfs/dbraw/zinc/57/85/57/1087578557.db2.gz NIIOGWZGQLMVGN-LJQANCHMSA-N 2 1 353.510 4.139 20 0 FIADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000685644940 1087655087 /nfs/dbraw/zinc/65/50/87/1087655087.db2.gz LUGMTANXFGPNBK-FUDKSRODSA-N 2 1 350.506 4.195 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685661499 1087665778 /nfs/dbraw/zinc/66/57/78/1087665778.db2.gz UOPUZMXIEIOQDU-QVGHQYEOSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662042 1087666791 /nfs/dbraw/zinc/66/67/91/1087666791.db2.gz YZFGSYGQLKQZHW-JLMWRMLUSA-N 2 1 370.562 4.036 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658144498 1087736791 /nfs/dbraw/zinc/73/67/91/1087736791.db2.gz MHNLDRQTEAYSBZ-NHCUHLMSSA-N 2 1 358.913 4.148 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000414772268 1087749313 /nfs/dbraw/zinc/74/93/13/1087749313.db2.gz BOPVSHIKQGYFLG-WOJBJXKFSA-N 2 1 351.494 4.004 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658206281 1087794423 /nfs/dbraw/zinc/79/44/23/1087794423.db2.gz IJJUEBKCPZCTPM-HCUBDLJJSA-N 2 1 364.533 4.059 20 0 FIADMP COC(=O)CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000414343185 1087911442 /nfs/dbraw/zinc/91/14/42/1087911442.db2.gz YCLOYNHJBGGDKX-OAQYLSRUSA-N 2 1 358.526 4.068 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c(Cl)c1 ZINC000424311091 1087912439 /nfs/dbraw/zinc/91/24/39/1087912439.db2.gz KNEIAZRQPQCTLZ-HNNXBMFYSA-N 2 1 359.901 4.372 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414787660 1087986915 /nfs/dbraw/zinc/98/69/15/1087986915.db2.gz VSFQMCXWUGXRRC-NHCUHLMSSA-N 2 1 350.506 4.184 20 0 FIADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647542686 1088013279 /nfs/dbraw/zinc/01/32/79/1088013279.db2.gz ABBYVYMHAKRSCF-IAGOWNOFSA-N 2 1 359.514 4.161 20 0 FIADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1nccn1C1CC1)C1CCCCC1 ZINC000892655511 1088134371 /nfs/dbraw/zinc/13/43/71/1088134371.db2.gz YERWXFSCLSWKEJ-UHFFFAOYSA-N 2 1 352.526 4.272 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1nccn1C1CC1)C1CCCCC1 ZINC000892655511 1088134379 /nfs/dbraw/zinc/13/43/79/1088134379.db2.gz YERWXFSCLSWKEJ-UHFFFAOYSA-N 2 1 352.526 4.272 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285868 1088415360 /nfs/dbraw/zinc/41/53/60/1088415360.db2.gz SMEXWIPTMJZDDG-VGOFRKELSA-N 2 1 363.505 4.234 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)c1 ZINC000659288488 1088430202 /nfs/dbraw/zinc/43/02/02/1088430202.db2.gz YPIWZNNKRIWEBW-OAQYLSRUSA-N 2 1 374.488 4.228 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c1 ZINC000659288487 1088430724 /nfs/dbraw/zinc/43/07/24/1088430724.db2.gz YPIWZNNKRIWEBW-NRFANRHFSA-N 2 1 374.488 4.228 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000311479528 1088690428 /nfs/dbraw/zinc/69/04/28/1088690428.db2.gz HIKCDFFXZWUVLC-VGSWGCGISA-N 2 1 356.485 4.397 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000188061629 1088706677 /nfs/dbraw/zinc/70/66/77/1088706677.db2.gz NVEPWWMIGQOZEZ-VLIAUNLRSA-N 2 1 351.425 4.494 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714310 /nfs/dbraw/zinc/71/43/10/1088714310.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714326 /nfs/dbraw/zinc/71/43/26/1088714326.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714332 /nfs/dbraw/zinc/71/43/32/1088714332.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 3 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714345 /nfs/dbraw/zinc/71/43/45/1088714345.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714355 /nfs/dbraw/zinc/71/43/55/1088714355.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714368 /nfs/dbraw/zinc/71/43/68/1088714368.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714381 /nfs/dbraw/zinc/71/43/81/1088714381.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714396 /nfs/dbraw/zinc/71/43/96/1088714396.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 2 1 355.570 4.023 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000514095657 1088714413 /nfs/dbraw/zinc/71/44/13/1088714413.db2.gz SFAOXJNFKAJOOO-HWHRFOGPSA-N 2 1 355.570 4.023 20 0 FIADMP COc1ccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000514106376 1088751792 /nfs/dbraw/zinc/75/17/92/1088751792.db2.gz XXCWKSGCYCIWOP-UHFFFAOYSA-N 2 1 352.522 4.271 20 0 FIADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644698 1089041394 /nfs/dbraw/zinc/04/13/94/1089041394.db2.gz XAWGQYPFFNCPIB-UHFFFAOYSA-N 2 1 370.566 4.293 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000415062073 1089113684 /nfs/dbraw/zinc/11/36/84/1089113684.db2.gz ZNXKLBFGBYEXTJ-PTUXOGIPSA-N 3 1 351.538 4.109 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000415062073 1089113703 /nfs/dbraw/zinc/11/37/03/1089113703.db2.gz ZNXKLBFGBYEXTJ-PTUXOGIPSA-N 3 1 351.538 4.109 20 0 FIADMP FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415085563 1089132251 /nfs/dbraw/zinc/13/22/51/1089132251.db2.gz QJKXJFCUMOFKIK-ZWKOTPCHSA-N 2 1 364.411 4.211 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000415083172 1089140814 /nfs/dbraw/zinc/14/08/14/1089140814.db2.gz NBAINPYICOSFHV-VQIMIIECSA-N 2 1 364.411 4.297 20 0 FIADMP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c2cc(OC(F)F)ccc2[nH+]1 ZINC000549192962 1089184822 /nfs/dbraw/zinc/18/48/22/1089184822.db2.gz OOFBYRVOPCBCHC-FQEVSTJZSA-N 2 1 361.436 4.067 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc3c2OCC[C@H]3[NH+](C)C)C1 ZINC000435041292 1089218134 /nfs/dbraw/zinc/21/81/34/1089218134.db2.gz IPQWDEMQFGRQMK-ZWCUEREDSA-N 2 1 365.521 4.319 20 0 FIADMP CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1OC ZINC000435056624 1089244213 /nfs/dbraw/zinc/24/42/13/1089244213.db2.gz HYJHFSVZCCMIIA-UHFFFAOYSA-N 2 1 369.509 4.006 20 0 FIADMP COc1ccc([C@@H](C)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000435062144 1089251574 /nfs/dbraw/zinc/25/15/74/1089251574.db2.gz XHLBPULCUIPUCY-KRWDZBQOSA-N 2 1 353.510 4.211 20 0 FIADMP c1ccc(C[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435372320 1089581802 /nfs/dbraw/zinc/58/18/02/1089581802.db2.gz RERLDVVAWDKZJM-DEOSSOPVSA-N 2 1 372.516 4.288 20 0 FIADMP c1ccc(C[N@H+](Cc2cccc(-c3cccnc3)c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435372320 1089581814 /nfs/dbraw/zinc/58/18/14/1089581814.db2.gz RERLDVVAWDKZJM-DEOSSOPVSA-N 2 1 372.516 4.288 20 0 FIADMP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000514971769 1089696814 /nfs/dbraw/zinc/69/68/14/1089696814.db2.gz DLVSQUMSACXGJA-CQSZACIVSA-N 2 1 357.325 4.166 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980290 1089727460 /nfs/dbraw/zinc/72/74/60/1089727460.db2.gz MQDDGMXLLGFDIG-FDDCHVKYSA-N 2 1 350.506 4.184 20 0 FIADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980297 1089735982 /nfs/dbraw/zinc/73/59/82/1089735982.db2.gz MQDDGMXLLGFDIG-WZONZLPQSA-N 2 1 350.506 4.184 20 0 FIADMP CCC[N@H+](C[C@H](CC)CC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074578 1090485113 /nfs/dbraw/zinc/48/51/13/1090485113.db2.gz QWJLVCLNDPUSCF-QGZVFWFLSA-N 2 1 368.516 4.456 20 0 FIADMP CCC[N@@H+](C[C@H](CC)CC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074578 1090485116 /nfs/dbraw/zinc/48/51/16/1090485116.db2.gz QWJLVCLNDPUSCF-QGZVFWFLSA-N 2 1 368.516 4.456 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511621221 1090839397 /nfs/dbraw/zinc/83/93/97/1090839397.db2.gz BSUHWWCJYNNMBY-UGSOOPFHSA-N 2 1 367.415 4.467 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257715 1090953442 /nfs/dbraw/zinc/95/34/42/1090953442.db2.gz WDWNKXSKIYNCRS-KBPBESRZSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257715 1090953445 /nfs/dbraw/zinc/95/34/45/1090953445.db2.gz WDWNKXSKIYNCRS-KBPBESRZSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257720 1090953490 /nfs/dbraw/zinc/95/34/90/1090953490.db2.gz WDWNKXSKIYNCRS-ZIAGYGMSSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257720 1090953493 /nfs/dbraw/zinc/95/34/93/1090953493.db2.gz WDWNKXSKIYNCRS-ZIAGYGMSSA-N 2 1 356.432 4.170 20 0 FIADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000500086767 1091029423 /nfs/dbraw/zinc/02/94/23/1091029423.db2.gz DQTKVMDTCRIDQP-CTNGQTDRSA-N 2 1 361.574 4.031 20 0 FIADMP C[C@H](CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656570 1091372221 /nfs/dbraw/zinc/37/22/21/1091372221.db2.gz KVOITIOBIJODJG-OFNKIYASSA-N 2 1 352.522 4.061 20 0 FIADMP C[C@H](CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390656570 1091372231 /nfs/dbraw/zinc/37/22/31/1091372231.db2.gz KVOITIOBIJODJG-OFNKIYASSA-N 2 1 352.522 4.061 20 0 FIADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000390664088 1091378342 /nfs/dbraw/zinc/37/83/42/1091378342.db2.gz QOEISRBTSKDQCA-VTHDOGFWSA-N 2 1 353.485 4.457 20 0 FIADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cn1 ZINC000390664088 1091378354 /nfs/dbraw/zinc/37/83/54/1091378354.db2.gz QOEISRBTSKDQCA-VTHDOGFWSA-N 2 1 353.485 4.457 20 0 FIADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511751894 1091616202 /nfs/dbraw/zinc/61/62/02/1091616202.db2.gz BCQYLWAOANJNQM-TZRRMPRUSA-N 2 1 373.500 4.185 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c(F)ccc(O)c2F)C[N@H+]1Cc1ccccc1 ZINC000511778323 1091668303 /nfs/dbraw/zinc/66/83/03/1091668303.db2.gz ZIZDGZGORDPEGW-WBVHZDCISA-N 2 1 360.448 4.061 20 0 FIADMP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069321 1091811364 /nfs/dbraw/zinc/81/13/64/1091811364.db2.gz OPLBRZOCYAKNHH-FCHUYYIVSA-N 2 1 352.522 4.264 20 0 FIADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069321 1091811365 /nfs/dbraw/zinc/81/13/65/1091811365.db2.gz OPLBRZOCYAKNHH-FCHUYYIVSA-N 2 1 352.522 4.264 20 0 FIADMP CCN(CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000508354112 1092267317 /nfs/dbraw/zinc/26/73/17/1092267317.db2.gz HAJWRNXWGALROS-UHFFFAOYSA-N 2 1 351.538 4.157 20 0 FIADMP CCC[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428233110 1092272960 /nfs/dbraw/zinc/27/29/60/1092272960.db2.gz XUCPJZLBVDKYIN-GMKZXUHWSA-N 2 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428233110 1092272964 /nfs/dbraw/zinc/27/29/64/1092272964.db2.gz XUCPJZLBVDKYIN-GMKZXUHWSA-N 3 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428233110 1092272968 /nfs/dbraw/zinc/27/29/68/1092272968.db2.gz XUCPJZLBVDKYIN-GMKZXUHWSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000520949870 1092375250 /nfs/dbraw/zinc/37/52/50/1092375250.db2.gz UGAFKSHMMVTFBB-AWEZNQCLSA-N 2 1 357.311 4.190 20 0 FIADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000665277184 1092504737 /nfs/dbraw/zinc/50/47/37/1092504737.db2.gz WEYUNZGNTFYORR-PTUXOGIPSA-N 2 1 361.533 4.023 20 0 FIADMP c1cc2cc(CC[NH2+][C@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2[nH]1 ZINC000442820262 1092789380 /nfs/dbraw/zinc/78/93/80/1092789380.db2.gz KFBODLBSQYMZQM-ZDXQCDESSA-N 2 1 359.517 4.211 20 0 FIADMP COCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(F)cc1 ZINC000442871569 1092820059 /nfs/dbraw/zinc/82/00/59/1092820059.db2.gz LYWVWDPOGFOEFT-NQIIRXRSSA-N 2 1 350.522 4.251 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)[C@@H](C)C1 ZINC000474039332 1092841361 /nfs/dbraw/zinc/84/13/61/1092841361.db2.gz SUHTWKDLPUXYCF-HSQYWUDLSA-N 2 1 374.569 4.144 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C1 ZINC000521817455 1092935967 /nfs/dbraw/zinc/93/59/67/1092935967.db2.gz BVINXIUYOIMVBE-QZTJIDSGSA-N 2 1 362.521 4.331 20 0 FIADMP CCOc1cccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC(F)F ZINC000236920669 1092954437 /nfs/dbraw/zinc/95/44/37/1092954437.db2.gz IHIZNFYLWAULRV-UHFFFAOYSA-N 2 1 356.457 4.086 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000443198534 1092987506 /nfs/dbraw/zinc/98/75/06/1092987506.db2.gz RJPIYBMVUNZNCI-GWWHBBDRSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000443198534 1092987509 /nfs/dbraw/zinc/98/75/09/1092987509.db2.gz RJPIYBMVUNZNCI-GWWHBBDRSA-N 2 1 366.480 4.150 20 0 FIADMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000512614122 1092993005 /nfs/dbraw/zinc/99/30/05/1092993005.db2.gz UXGIGPGNHMPXGI-PWRODBHTSA-N 2 1 369.578 4.193 20 0 FIADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512634892 1093051495 /nfs/dbraw/zinc/05/14/95/1093051495.db2.gz FSQFWOPKHYGXKU-XBYSBRQOSA-N 2 1 370.581 4.066 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512653311 1093079571 /nfs/dbraw/zinc/07/95/71/1093079571.db2.gz DOQNHDSYJJHESN-GNADVCDUSA-N 2 1 370.581 4.208 20 0 FIADMP Cc1cc(C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n[nH]1 ZINC000411440436 1093310295 /nfs/dbraw/zinc/31/02/95/1093310295.db2.gz HLOZOKNEHONXTB-UHFFFAOYSA-N 2 1 352.526 4.084 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000389082512 1093347858 /nfs/dbraw/zinc/34/78/58/1093347858.db2.gz DMSRXISUTXJOCV-KNQAVFIVSA-N 2 1 352.522 4.215 20 0 FIADMP CC(C)C[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000474149743 1093466086 /nfs/dbraw/zinc/46/60/86/1093466086.db2.gz JREQVDQYHCEHOT-AOHZBQACSA-N 2 1 371.613 4.307 20 0 FIADMP Cc1ccc(NC(=O)[C@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000419300262 1093503834 /nfs/dbraw/zinc/50/38/34/1093503834.db2.gz LQMBSGBJVIYHPY-JOCHJYFZSA-N 2 1 365.521 4.139 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)cc2)C1 ZINC000433314821 1093570267 /nfs/dbraw/zinc/57/02/67/1093570267.db2.gz BWGAIHWYDLTGLJ-QGZVFWFLSA-N 2 1 364.493 4.191 20 0 FIADMP c1cc(-c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCCCC4)c3)o2)n[nH]1 ZINC000433317512 1093588031 /nfs/dbraw/zinc/58/80/31/1093588031.db2.gz LPHNTTONFAVYJH-UHFFFAOYSA-N 2 1 364.493 4.336 20 0 FIADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433325618 1093595412 /nfs/dbraw/zinc/59/54/12/1093595412.db2.gz HKOWXFSKZDMQEQ-UHFFFAOYSA-N 2 1 364.493 4.191 20 0 FIADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000513004338 1093657107 /nfs/dbraw/zinc/65/71/07/1093657107.db2.gz JSCHDKCIROVWCA-UHFFFAOYSA-N 2 1 358.526 4.139 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000327403345 1093719059 /nfs/dbraw/zinc/71/90/59/1093719059.db2.gz VDYSXFFEWOBGKX-GJZGRUSLSA-N 2 1 366.349 4.441 20 0 FIADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000327403345 1093719067 /nfs/dbraw/zinc/71/90/67/1093719067.db2.gz VDYSXFFEWOBGKX-GJZGRUSLSA-N 2 1 366.349 4.441 20 0 FIADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034640 1093759987 /nfs/dbraw/zinc/75/99/87/1093759987.db2.gz QHZIRVNGORJXNB-XRYRHKQGSA-N 2 1 372.553 4.140 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000513080903 1093782494 /nfs/dbraw/zinc/78/24/94/1093782494.db2.gz GNDZLEVDRDSSFH-YLJYHZDGSA-N 2 1 356.485 4.020 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000513080903 1093782503 /nfs/dbraw/zinc/78/25/03/1093782503.db2.gz GNDZLEVDRDSSFH-YLJYHZDGSA-N 2 1 356.485 4.020 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513085337 1093786826 /nfs/dbraw/zinc/78/68/26/1093786826.db2.gz ZSPRBYNPFZOYSP-ICSRJNTNSA-N 2 1 362.521 4.138 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513085337 1093786835 /nfs/dbraw/zinc/78/68/35/1093786835.db2.gz ZSPRBYNPFZOYSP-ICSRJNTNSA-N 2 1 362.521 4.138 20 0 FIADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@H]1C ZINC000474466928 1093813117 /nfs/dbraw/zinc/81/31/17/1093813117.db2.gz BKXVWPBLHUPFNT-OZIGNCPNSA-N 2 1 372.553 4.128 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000513232180 1094013948 /nfs/dbraw/zinc/01/39/48/1094013948.db2.gz GLWJFMKKLCBWCB-UTKZUKDTSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@H+]1Cc1ccccc1 ZINC000513232180 1094013955 /nfs/dbraw/zinc/01/39/55/1094013955.db2.gz GLWJFMKKLCBWCB-UTKZUKDTSA-N 2 1 365.496 4.492 20 0 FIADMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(F)F ZINC000513365677 1094082593 /nfs/dbraw/zinc/08/25/93/1094082593.db2.gz RRCGKMQESSSOFY-ZBFHGGJFSA-N 2 1 368.468 4.039 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513407688 1094105554 /nfs/dbraw/zinc/10/55/54/1094105554.db2.gz HFWFWQWIHNUXPR-GDBMZVCRSA-N 2 1 351.332 4.192 20 0 FIADMP Cc1cccn2c(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cnc12 ZINC000513494989 1094162331 /nfs/dbraw/zinc/16/23/31/1094162331.db2.gz LCXVTFDYKCMLMS-CTNGQTDRSA-N 2 1 362.521 4.033 20 0 FIADMP COCc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513498947 1094171433 /nfs/dbraw/zinc/17/14/33/1094171433.db2.gz CTWRQCDPIKBCIH-WMZHIEFXSA-N 2 1 352.522 4.223 20 0 FIADMP COCc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513498946 1094171910 /nfs/dbraw/zinc/17/19/10/1094171910.db2.gz CTWRQCDPIKBCIH-CVDCTZTESA-N 2 1 352.522 4.223 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000513643425 1094259710 /nfs/dbraw/zinc/25/97/10/1094259710.db2.gz OKWDBMUWALQXCC-INIZCTEOSA-N 2 1 368.949 4.349 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513667394 1094262952 /nfs/dbraw/zinc/26/29/52/1094262952.db2.gz RGQUCOJHSLSMDZ-SJSRKZJXSA-N 2 1 370.581 4.470 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000513667391 1094263162 /nfs/dbraw/zinc/26/31/62/1094263162.db2.gz RGQUCOJHSLSMDZ-LSDVVMKASA-N 2 1 370.581 4.470 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513667392 1094263315 /nfs/dbraw/zinc/26/33/15/1094263315.db2.gz RGQUCOJHSLSMDZ-QOXFPCGXSA-N 2 1 370.581 4.470 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(OC(F)F)c1 ZINC000513698100 1094360921 /nfs/dbraw/zinc/36/09/21/1094360921.db2.gz WMFWQPFZIYRRRB-KZNAEPCWSA-N 2 1 368.468 4.039 20 0 FIADMP CC(C)c1noc(CCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000513696882 1094363192 /nfs/dbraw/zinc/36/31/92/1094363192.db2.gz FUHYPOZNEYSIMB-UHFFFAOYSA-N 2 1 370.541 4.158 20 0 FIADMP CC(C)c1ccc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500992778 1094408856 /nfs/dbraw/zinc/40/88/56/1094408856.db2.gz PKUWLVHVORXHED-QHCPKHFHSA-N 2 1 357.586 4.363 20 0 FIADMP C[N@H+](Cc1cc(F)cc2cccnc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501060370 1094471916 /nfs/dbraw/zinc/47/19/16/1094471916.db2.gz AYNTVWJNFUKYTR-UHFFFAOYSA-N 2 1 364.468 4.117 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811464 1094635375 /nfs/dbraw/zinc/63/53/75/1094635375.db2.gz ROVAOZNXIRUJQA-TWKWOARYSA-N 2 1 370.459 4.103 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474811464 1094635395 /nfs/dbraw/zinc/63/53/95/1094635395.db2.gz ROVAOZNXIRUJQA-TWKWOARYSA-N 2 1 370.459 4.103 20 0 FIADMP FC(F)(F)Oc1cccc(Cl)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735423 1094701917 /nfs/dbraw/zinc/70/19/17/1094701917.db2.gz ULKYCJSWARAISC-UHFFFAOYSA-N 2 1 362.823 4.204 20 0 FIADMP FC(F)(F)Oc1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735423 1094701939 /nfs/dbraw/zinc/70/19/39/1094701939.db2.gz ULKYCJSWARAISC-UHFFFAOYSA-N 2 1 362.823 4.204 20 0 FIADMP Fc1cccc(Cl)c1CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420311635 1094875633 /nfs/dbraw/zinc/87/56/33/1094875633.db2.gz NYVNPNRRIYRBGJ-KRWDZBQOSA-N 2 1 361.892 4.061 20 0 FIADMP Fc1cccc(Cl)c1CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420311635 1094875654 /nfs/dbraw/zinc/87/56/54/1094875654.db2.gz NYVNPNRRIYRBGJ-KRWDZBQOSA-N 2 1 361.892 4.061 20 0 FIADMP Clc1ccccc1-c1csc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325577 1094889611 /nfs/dbraw/zinc/88/96/11/1094889611.db2.gz IVQSLXDWZDTNJP-CABCVRRESA-N 2 1 361.942 4.285 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)c2C1 ZINC000166934824 1095012811 /nfs/dbraw/zinc/01/28/11/1095012811.db2.gz CVNRQIWVVXFVMA-VGSWGCGISA-N 2 1 365.521 4.323 20 0 FIADMP COC[C@@]12CCC[C@@H]1C[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168046225 1095112285 /nfs/dbraw/zinc/11/22/85/1095112285.db2.gz MSVARUMGOWVZHR-ZNTQHIFFSA-N 2 1 356.554 4.177 20 0 FIADMP CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420948219 1095188374 /nfs/dbraw/zinc/18/83/74/1095188374.db2.gz PHSANCFIRVNQCP-IBGZPJMESA-N 2 1 368.521 4.157 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)C1 ZINC000502278022 1095295804 /nfs/dbraw/zinc/29/58/04/1095295804.db2.gz SSTOXVIQWUTIBB-SIKLNZKXSA-N 2 1 356.554 4.357 20 0 FIADMP CCCOc1ccc(Br)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000513741469 1095331844 /nfs/dbraw/zinc/33/18/44/1095331844.db2.gz NRDDGCQBFHHWBQ-UHFFFAOYSA-N 2 1 369.347 4.012 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1F ZINC000281360571 1095537927 /nfs/dbraw/zinc/53/79/27/1095537927.db2.gz WBFGXGSOVKDGOF-FQEVSTJZSA-N 2 1 354.404 4.095 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCSCC5)[C@@H]3C2)cc1 ZINC000421384111 1095586985 /nfs/dbraw/zinc/58/69/85/1095586985.db2.gz OWHBYWHNGQTVFA-BURNTYAHSA-N 2 1 356.579 4.020 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cnn(C4CCCC4)c3)CC2)[nH+]1 ZINC000502687469 1095715316 /nfs/dbraw/zinc/71/53/16/1095715316.db2.gz ZWTODHAUIWMPNB-KRWDZBQOSA-N 2 1 353.514 4.021 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709342 1095747749 /nfs/dbraw/zinc/74/77/49/1095747749.db2.gz WQSFRXCGLWHSJF-PZJWPPBQSA-N 2 1 366.553 4.213 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502709342 1095747766 /nfs/dbraw/zinc/74/77/66/1095747766.db2.gz WQSFRXCGLWHSJF-PZJWPPBQSA-N 2 1 366.553 4.213 20 0 FIADMP C[C@@H]1CC([N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051055 1095771534 /nfs/dbraw/zinc/77/15/34/1095771534.db2.gz FRJBCFMRNTWGPJ-QWFCFKBJSA-N 2 1 372.553 4.092 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000421834496 1095945684 /nfs/dbraw/zinc/94/56/84/1095945684.db2.gz OWEQXVVINSXQKZ-HNNXBMFYSA-N 2 1 361.892 4.372 20 0 FIADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc(OC)c1 ZINC000513760798 1095968448 /nfs/dbraw/zinc/96/84/48/1095968448.db2.gz LACIEBLKFGWCTG-UHFFFAOYSA-N 2 1 368.521 4.048 20 0 FIADMP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503078569 1096055341 /nfs/dbraw/zinc/05/53/41/1096055341.db2.gz ZVKBOIQCBOKONC-KRWDZBQOSA-N 2 1 350.304 4.427 20 0 FIADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503078569 1096055351 /nfs/dbraw/zinc/05/53/51/1096055351.db2.gz ZVKBOIQCBOKONC-KRWDZBQOSA-N 2 1 350.304 4.427 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000271824667 1096130824 /nfs/dbraw/zinc/13/08/24/1096130824.db2.gz PPVBDYJRJCQOJJ-UTKZUKDTSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000271824667 1096130831 /nfs/dbraw/zinc/13/08/31/1096130831.db2.gz PPVBDYJRJCQOJJ-UTKZUKDTSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000271824671 1096131148 /nfs/dbraw/zinc/13/11/48/1096131148.db2.gz PPVBDYJRJCQOJJ-UWJYYQICSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000271824671 1096131152 /nfs/dbraw/zinc/13/11/52/1096131152.db2.gz PPVBDYJRJCQOJJ-UWJYYQICSA-N 2 1 352.526 4.035 20 0 FIADMP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503428740 1096395769 /nfs/dbraw/zinc/39/57/69/1096395769.db2.gz HWXRJOBXUYDVNE-FPOVZHCZSA-N 2 1 353.510 4.177 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422736445 1096476136 /nfs/dbraw/zinc/47/61/36/1096476136.db2.gz YBASHGWPXSQQKO-IEBWSBKVSA-N 2 1 363.288 4.339 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422830015 1096500885 /nfs/dbraw/zinc/50/08/85/1096500885.db2.gz QMLLAJQLUXZKOP-SFHVURJKSA-N 2 1 366.553 4.076 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000422858663 1096506814 /nfs/dbraw/zinc/50/68/14/1096506814.db2.gz IPJDYQXNYMWXNL-WDUKFBBWSA-N 2 1 371.550 4.347 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422888795 1096514879 /nfs/dbraw/zinc/51/48/79/1096514879.db2.gz NYEKAZOMVINLGR-PWRODBHTSA-N 2 1 355.457 4.023 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(O[C@@H](C)CC(C)C)c1 ZINC000422871178 1096517485 /nfs/dbraw/zinc/51/74/85/1096517485.db2.gz CPYFYTDSDNKJAI-BDKRGJGYSA-N 2 1 374.569 4.055 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OCCCC(C)C)c1 ZINC000422875155 1096518700 /nfs/dbraw/zinc/51/87/00/1096518700.db2.gz OLKHQDDAOXDNME-BHDDXSALSA-N 2 1 374.569 4.057 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414703560 1096525131 /nfs/dbraw/zinc/52/51/31/1096525131.db2.gz CKYXUSSDKBLLED-LAUBAEHRSA-N 2 1 372.557 4.185 20 0 FIADMP Brc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422938659 1096530320 /nfs/dbraw/zinc/53/03/20/1096530320.db2.gz DVDXMJLKLAUVMU-XNMUZJSGSA-N 2 1 371.322 4.411 20 0 FIADMP Brc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422943463 1096534676 /nfs/dbraw/zinc/53/46/76/1096534676.db2.gz KIYXZQVDDRKYRS-MOPGFXCFSA-N 2 1 359.311 4.270 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000414710536 1096545609 /nfs/dbraw/zinc/54/56/09/1096545609.db2.gz LIYDLFVWBOQGGC-MJGOQNOKSA-N 2 1 372.557 4.090 20 0 FIADMP CCCC[C@H](C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414712178 1096552523 /nfs/dbraw/zinc/55/25/23/1096552523.db2.gz NGWQYDGSHXVBRO-GOSISDBHSA-N 2 1 360.546 4.090 20 0 FIADMP Fc1ccc(C2([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)c(F)c1 ZINC000423028195 1096554425 /nfs/dbraw/zinc/55/44/25/1096554425.db2.gz QJUARVSKATVBAF-FPOVZHCZSA-N 2 1 370.443 4.190 20 0 FIADMP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000423038172 1096557358 /nfs/dbraw/zinc/55/73/58/1096557358.db2.gz NXFZRJCTPVHPMS-VHRBIJSZSA-N 2 1 365.237 4.030 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414715543 1096564076 /nfs/dbraw/zinc/56/40/76/1096564076.db2.gz RBHQEPCWBPVIQR-ZWKOTPCHSA-N 2 1 372.557 4.042 20 0 FIADMP C[C@@H](CCCC[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414715605 1096564086 /nfs/dbraw/zinc/56/40/86/1096564086.db2.gz REZRSDHMZWEPOT-KRWDZBQOSA-N 2 1 360.546 4.090 20 0 FIADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122103 1096579166 /nfs/dbraw/zinc/57/91/66/1096579166.db2.gz KESWBENDVBKENL-UFYCRDLUSA-N 2 1 362.439 4.491 20 0 FIADMP C[C@@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000423147125 1096586924 /nfs/dbraw/zinc/58/69/24/1096586924.db2.gz RBRMZYQUFKOYNV-MJWYBRSISA-N 2 1 360.860 4.386 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423183371 1096595883 /nfs/dbraw/zinc/59/58/83/1096595883.db2.gz GMJKDNWISIEVBC-NRFANRHFSA-N 2 1 353.510 4.188 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@@H](C)CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000414722869 1096609935 /nfs/dbraw/zinc/60/99/35/1096609935.db2.gz GOEOUVSQBFTHFU-FXAWDEMLSA-N 2 1 357.567 4.132 20 0 FIADMP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000423222888 1096622479 /nfs/dbraw/zinc/62/24/79/1096622479.db2.gz DCAYFIDKZPKHOC-SJCJKPOMSA-N 2 1 351.263 4.005 20 0 FIADMP C[C@H]([NH3+])CC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423227697 1096623783 /nfs/dbraw/zinc/62/37/83/1096623783.db2.gz WQWMSMZJYNPLID-YVEFUNNKSA-N 2 1 351.263 4.005 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CC[NH2+]1 ZINC000423377786 1096659527 /nfs/dbraw/zinc/65/95/27/1096659527.db2.gz KJIXGZHVOBQWJI-ZMYBRWDISA-N 2 1 359.311 4.269 20 0 FIADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000423460151 1096689227 /nfs/dbraw/zinc/68/92/27/1096689227.db2.gz IVAYVWNXVYMNOA-ZYHUDNBSSA-N 2 1 368.344 4.269 20 0 FIADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000423463665 1096690824 /nfs/dbraw/zinc/69/08/24/1096690824.db2.gz LMLJZNCQXZXBPE-HZMBPMFUSA-N 2 1 368.344 4.269 20 0 FIADMP Cc1ccccc1Nc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000533248133 1098909954 /nfs/dbraw/zinc/90/99/54/1098909954.db2.gz IKBQLTFBISLHIK-UHFFFAOYSA-N 2 1 358.555 4.359 20 0 FIADMP CCOc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc(Cl)c1O ZINC000459388239 1099360276 /nfs/dbraw/zinc/36/02/76/1099360276.db2.gz LEMDZRHNPKDCEY-UHFFFAOYSA-N 2 1 366.933 4.189 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125940 1099644214 /nfs/dbraw/zinc/64/42/14/1099644214.db2.gz HAPKXCNRQPQYTP-RXVVDRJESA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125940 1099644223 /nfs/dbraw/zinc/64/42/23/1099644223.db2.gz HAPKXCNRQPQYTP-RXVVDRJESA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125940 1099644235 /nfs/dbraw/zinc/64/42/35/1099644235.db2.gz HAPKXCNRQPQYTP-RXVVDRJESA-N 2 1 352.526 4.012 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125940 1099644246 /nfs/dbraw/zinc/64/42/46/1099644246.db2.gz HAPKXCNRQPQYTP-RXVVDRJESA-N 2 1 352.526 4.012 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693188 1099824566 /nfs/dbraw/zinc/82/45/66/1099824566.db2.gz AFNKZPUQHSWWJZ-WSTZPKSXSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702683 1099857456 /nfs/dbraw/zinc/85/74/56/1099857456.db2.gz WHKNJEUQZNNMDK-NQIIRXRSSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@H](Nc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715205 1099884703 /nfs/dbraw/zinc/88/47/03/1099884703.db2.gz XGUFJMUWVPPYFR-UGKGYDQZSA-N 2 1 351.538 4.113 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708937 1099888344 /nfs/dbraw/zinc/88/83/44/1099888344.db2.gz FCXQGUBSRIBUKA-CEMLEFRQSA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708937 1099888359 /nfs/dbraw/zinc/88/83/59/1099888359.db2.gz FCXQGUBSRIBUKA-CEMLEFRQSA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708937 1099888375 /nfs/dbraw/zinc/88/83/75/1099888375.db2.gz FCXQGUBSRIBUKA-CEMLEFRQSA-N 2 1 369.553 4.163 20 0 FIADMP C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716213 1099913067 /nfs/dbraw/zinc/91/30/67/1099913067.db2.gz KIZRRCNBGQWJAJ-NFBKMPQASA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716213 1099913069 /nfs/dbraw/zinc/91/30/69/1099913069.db2.gz KIZRRCNBGQWJAJ-NFBKMPQASA-N 3 1 369.597 4.141 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508716213 1099913071 /nfs/dbraw/zinc/91/30/71/1099913071.db2.gz KIZRRCNBGQWJAJ-NFBKMPQASA-N 3 1 369.597 4.141 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nccc3ccccc32)[C@H](C)C1 ZINC000289833282 1099928908 /nfs/dbraw/zinc/92/89/08/1099928908.db2.gz QJWBHCGNGPWXKF-OPYAIIAOSA-N 2 1 355.526 4.022 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nccc3ccccc32)[C@H](C)C1 ZINC000289833282 1099928913 /nfs/dbraw/zinc/92/89/13/1099928913.db2.gz QJWBHCGNGPWXKF-OPYAIIAOSA-N 2 1 355.526 4.022 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000508720923 1099939624 /nfs/dbraw/zinc/93/96/24/1099939624.db2.gz NWSOJSNYWGPJPN-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720923 1099939626 /nfs/dbraw/zinc/93/96/26/1099939626.db2.gz NWSOJSNYWGPJPN-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000508720923 1099939632 /nfs/dbraw/zinc/93/96/32/1099939632.db2.gz NWSOJSNYWGPJPN-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000508720923 1099939633 /nfs/dbraw/zinc/93/96/33/1099939633.db2.gz NWSOJSNYWGPJPN-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000508720923 1099939634 /nfs/dbraw/zinc/93/96/34/1099939634.db2.gz NWSOJSNYWGPJPN-DPLHUUCSSA-N 2 1 365.565 4.007 20 0 FIADMP CC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506059522 1099956703 /nfs/dbraw/zinc/95/67/03/1099956703.db2.gz IXQAPDMXWHKTML-UHFFFAOYSA-N 2 1 369.528 4.378 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000162788405 1099998677 /nfs/dbraw/zinc/99/86/77/1099998677.db2.gz TVTLHQWCMRMVJC-OAHLLOKOSA-N 2 1 361.555 4.478 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652096 1100105908 /nfs/dbraw/zinc/10/59/08/1100105908.db2.gz GCSVWQWEXUMZAP-UHFFFAOYSA-N 2 1 372.532 4.180 20 0 FIADMP CC[N@H+](Cc1ccnc2ccccc12)CC1CCN(c2ccccn2)CC1 ZINC000536663037 1100134401 /nfs/dbraw/zinc/13/44/01/1100134401.db2.gz SBNZUOVGSIVJFN-UHFFFAOYSA-N 2 1 360.505 4.368 20 0 FIADMP C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517187774 1100160356 /nfs/dbraw/zinc/16/03/56/1100160356.db2.gz YKJJSRKGZYWFHP-KPLVRAHFSA-N 2 1 350.506 4.270 20 0 FIADMP CCCn1nc(C)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000536683159 1100192753 /nfs/dbraw/zinc/19/27/53/1100192753.db2.gz NXYKRWVWJRFYRB-UHFFFAOYSA-N 2 1 368.569 4.254 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459437973 1100193364 /nfs/dbraw/zinc/19/33/64/1100193364.db2.gz ZTYHTPVGJWIEHD-MJUUVYJYSA-N 2 1 362.583 4.035 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(C(F)(F)F)cc1 ZINC000425897624 1100196604 /nfs/dbraw/zinc/19/66/04/1100196604.db2.gz VJISZONSVJUEEQ-GFCCVEGCSA-N 2 1 353.388 4.011 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000536696677 1100200839 /nfs/dbraw/zinc/20/08/39/1100200839.db2.gz CQFCDJMRDKYNBO-FQEVSTJZSA-N 2 1 366.553 4.304 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000536696677 1100200855 /nfs/dbraw/zinc/20/08/55/1100200855.db2.gz CQFCDJMRDKYNBO-FQEVSTJZSA-N 2 1 366.553 4.304 20 0 FIADMP C[C@@H]1C[C@@H](NCc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631068 1100244807 /nfs/dbraw/zinc/24/48/07/1100244807.db2.gz QYEMOVKZDNYGFE-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccccc1 ZINC000379631068 1100244816 /nfs/dbraw/zinc/24/48/16/1100244816.db2.gz QYEMOVKZDNYGFE-KNQAVFIVSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643894 1100252012 /nfs/dbraw/zinc/25/20/12/1100252012.db2.gz BOXKCOBFQKNQHJ-HLAWJBBLSA-N 2 1 350.506 4.195 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643894 1100252020 /nfs/dbraw/zinc/25/20/20/1100252020.db2.gz BOXKCOBFQKNQHJ-HLAWJBBLSA-N 2 1 350.506 4.195 20 0 FIADMP c1ccc(C[NH+]2CCC([C@H]3CCCCC[N@@H+]3C[C@@H]3CCOC3)CC2)cc1 ZINC000459517871 1100256416 /nfs/dbraw/zinc/25/64/16/1100256416.db2.gz GDGSFNVTLKZODY-JTHBVZDNSA-N 2 1 356.554 4.180 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379642375 1100264378 /nfs/dbraw/zinc/26/43/78/1100264378.db2.gz DVJXLMHAHCOXRH-NZQKXSOJSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379642375 1100264383 /nfs/dbraw/zinc/26/43/83/1100264383.db2.gz DVJXLMHAHCOXRH-NZQKXSOJSA-N 2 1 363.549 4.298 20 0 FIADMP CC(C)(C)C1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000459583172 1100309112 /nfs/dbraw/zinc/30/91/12/1100309112.db2.gz FMZAEYSWYMYXRU-ORFBVSJDSA-N 2 1 370.581 4.330 20 0 FIADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459565824 1100313772 /nfs/dbraw/zinc/31/37/72/1100313772.db2.gz TZKGLOZUTIJOFD-UHFFFAOYSA-N 2 1 369.557 4.224 20 0 FIADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459565824 1100313783 /nfs/dbraw/zinc/31/37/83/1100313783.db2.gz TZKGLOZUTIJOFD-UHFFFAOYSA-N 2 1 369.557 4.224 20 0 FIADMP CN1CC[C@@H](C[N@@H+](C)CCCCCOc2ccccc2)[C@@H]1c1cccnc1 ZINC000437960746 1100326445 /nfs/dbraw/zinc/32/64/45/1100326445.db2.gz GSDVOFYXNPWEHQ-GMAHTHKFSA-N 2 1 367.537 4.256 20 0 FIADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000536824405 1100340395 /nfs/dbraw/zinc/34/03/95/1100340395.db2.gz BIZCMEUPTOKEJU-CVDCTZTESA-N 2 1 368.569 4.382 20 0 FIADMP CCCCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000536824405 1100340407 /nfs/dbraw/zinc/34/04/07/1100340407.db2.gz BIZCMEUPTOKEJU-CVDCTZTESA-N 2 1 368.569 4.382 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000536831699 1100369213 /nfs/dbraw/zinc/36/92/13/1100369213.db2.gz IWQUORBOCHSAPT-MOPGFXCFSA-N 2 1 374.573 4.235 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000536831257 1100369601 /nfs/dbraw/zinc/36/96/01/1100369601.db2.gz GVMBOJVPWFZMDZ-CPUCHLNUSA-N 2 1 353.348 4.045 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000536857032 1100373487 /nfs/dbraw/zinc/37/34/87/1100373487.db2.gz IMJYBZNNVVNRFZ-LSDHHAIUSA-N 2 1 353.432 4.457 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000438188158 1100501533 /nfs/dbraw/zinc/50/15/33/1100501533.db2.gz IBMCZEORVHIQFD-JKSUJKDBSA-N 2 1 362.480 4.121 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)sc2C1 ZINC000438357767 1100626606 /nfs/dbraw/zinc/62/66/06/1100626606.db2.gz NQSRBNBCXBVNOH-RTBURBONSA-N 2 1 369.578 4.411 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)sc2C1 ZINC000438357767 1100626611 /nfs/dbraw/zinc/62/66/11/1100626611.db2.gz NQSRBNBCXBVNOH-RTBURBONSA-N 2 1 369.578 4.411 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc2c1 ZINC000426049731 1100716650 /nfs/dbraw/zinc/71/66/50/1100716650.db2.gz JWPSMBGIEFOEFI-UWJYYQICSA-N 2 1 364.489 4.159 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000517877229 1100754640 /nfs/dbraw/zinc/75/46/40/1100754640.db2.gz OKICRMNDPNPVBZ-UHFFFAOYSA-N 2 1 357.311 4.142 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000517936819 1100804529 /nfs/dbraw/zinc/80/45/29/1100804529.db2.gz ZLVATJAOEJHQSI-QAPCUYQASA-N 2 1 371.912 4.152 20 0 FIADMP CC(C)Cn1ccnc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438833929 1100953593 /nfs/dbraw/zinc/95/35/93/1100953593.db2.gz YPOTWYVRNYPNIU-UHFFFAOYSA-N 2 1 354.542 4.072 20 0 FIADMP Cc1cnn(-c2cc[nH+]cc2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000518236807 1101035618 /nfs/dbraw/zinc/03/56/18/1101035618.db2.gz ZSYDPMBQPJPBAP-ICSRJNTNSA-N 2 1 361.493 4.041 20 0 FIADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000261985114 1101278977 /nfs/dbraw/zinc/27/89/77/1101278977.db2.gz RVHILMDHJJQAPF-KRWDZBQOSA-N 2 1 372.472 4.066 20 0 FIADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1cccs1 ZINC000459734879 1101351409 /nfs/dbraw/zinc/35/14/09/1101351409.db2.gz OSYXXMTZBUTOKE-KRWDZBQOSA-N 2 1 374.550 4.157 20 0 FIADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414996646 1101380168 /nfs/dbraw/zinc/38/01/68/1101380168.db2.gz GNWQWKKAYWSAHI-MAUKXSAKSA-N 2 1 361.530 4.063 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000537014666 1101396755 /nfs/dbraw/zinc/39/67/55/1101396755.db2.gz WJARBFWHJIKNLO-JXFKEZNVSA-N 2 1 359.514 4.188 20 0 FIADMP C[C@@H]1C[C@@H]1[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655731754 1101480251 /nfs/dbraw/zinc/48/02/51/1101480251.db2.gz ZBSCOHXNWOBJJA-DVMWJLJYSA-N 2 1 362.945 4.270 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001168155295 1101589971 /nfs/dbraw/zinc/58/99/71/1101589971.db2.gz QKGHZUVCSCZQBK-PXAZEXFGSA-N 2 1 367.718 4.323 20 0 FIADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000537295303 1101614618 /nfs/dbraw/zinc/61/46/18/1101614618.db2.gz MJLQWPBMYWWSRP-KRWDZBQOSA-N 2 1 366.484 4.108 20 0 FIADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000537355718 1101690451 /nfs/dbraw/zinc/69/04/51/1101690451.db2.gz AXWRGEDXWCASDF-SVFBPWRDSA-N 2 1 352.522 4.130 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168169952 1101876220 /nfs/dbraw/zinc/87/62/20/1101876220.db2.gz YWZAQVARRRCMAQ-NDXORKPFSA-N 2 1 357.929 4.438 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000519058662 1101880650 /nfs/dbraw/zinc/88/06/50/1101880650.db2.gz WNSUBAYFRIAANU-SLFFLAALSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000519058662 1101880665 /nfs/dbraw/zinc/88/06/65/1101880665.db2.gz WNSUBAYFRIAANU-SLFFLAALSA-N 2 1 355.551 4.232 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000397997790 1101958443 /nfs/dbraw/zinc/95/84/43/1101958443.db2.gz CNZQWDMXYACBMO-LVCYWYKZSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000397997790 1101958448 /nfs/dbraw/zinc/95/84/48/1101958448.db2.gz CNZQWDMXYACBMO-LVCYWYKZSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000398009212 1101959807 /nfs/dbraw/zinc/95/98/07/1101959807.db2.gz HVCUEGQRCSUXHM-NPPFBWRTSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398009212 1101959816 /nfs/dbraw/zinc/95/98/16/1101959816.db2.gz HVCUEGQRCSUXHM-NPPFBWRTSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398009212 1101959823 /nfs/dbraw/zinc/95/98/23/1101959823.db2.gz HVCUEGQRCSUXHM-NPPFBWRTSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000398009214 1101960347 /nfs/dbraw/zinc/96/03/47/1101960347.db2.gz HVCUEGQRCSUXHM-SPEDKVCISA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398009214 1101960353 /nfs/dbraw/zinc/96/03/53/1101960353.db2.gz HVCUEGQRCSUXHM-SPEDKVCISA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398009214 1101960357 /nfs/dbraw/zinc/96/03/57/1101960357.db2.gz HVCUEGQRCSUXHM-SPEDKVCISA-N 2 1 368.521 4.265 20 0 FIADMP C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506736286 1101964912 /nfs/dbraw/zinc/96/49/12/1101964912.db2.gz PJPHSFQLPRHNHB-KRWDZBQOSA-N 2 1 369.578 4.398 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156405 1101972312 /nfs/dbraw/zinc/97/23/12/1101972312.db2.gz QVQYJHUFQDDMFO-OFNKIYASSA-N 2 1 352.522 4.094 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156405 1101972317 /nfs/dbraw/zinc/97/23/17/1101972317.db2.gz QVQYJHUFQDDMFO-OFNKIYASSA-N 2 1 352.522 4.094 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000519192339 1101987764 /nfs/dbraw/zinc/98/77/64/1101987764.db2.gz BPUJCUMYRFUFFR-TZIWHRDSSA-N 2 1 367.537 4.364 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000519192339 1101987766 /nfs/dbraw/zinc/98/77/66/1101987766.db2.gz BPUJCUMYRFUFFR-TZIWHRDSSA-N 2 1 367.537 4.364 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000519271865 1102053376 /nfs/dbraw/zinc/05/33/76/1102053376.db2.gz QOQNHBLSECOESE-UHFFFAOYSA-N 2 1 359.377 4.455 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000519271865 1102053393 /nfs/dbraw/zinc/05/33/93/1102053393.db2.gz QOQNHBLSECOESE-UHFFFAOYSA-N 2 1 359.377 4.455 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC001168184410 1102106449 /nfs/dbraw/zinc/10/64/49/1102106449.db2.gz PIAJMEMUOIXWFE-DNQXCXABSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC001168184410 1102106454 /nfs/dbraw/zinc/10/64/54/1102106454.db2.gz PIAJMEMUOIXWFE-DNQXCXABSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC001168184410 1102106460 /nfs/dbraw/zinc/10/64/60/1102106460.db2.gz PIAJMEMUOIXWFE-DNQXCXABSA-N 2 1 364.533 4.015 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897970029 1102150824 /nfs/dbraw/zinc/15/08/24/1102150824.db2.gz DMGNSTWDAONRAA-GQRWVPFLSA-N 2 1 354.538 4.292 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897970029 1102150831 /nfs/dbraw/zinc/15/08/31/1102150831.db2.gz DMGNSTWDAONRAA-GQRWVPFLSA-N 2 1 354.538 4.292 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897970815 1102150986 /nfs/dbraw/zinc/15/09/86/1102150986.db2.gz PDQGDNYLGLGGEH-VRKFHHGPSA-N 2 1 354.538 4.121 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)C2)CO1 ZINC000897970815 1102150992 /nfs/dbraw/zinc/15/09/92/1102150992.db2.gz PDQGDNYLGLGGEH-VRKFHHGPSA-N 2 1 354.538 4.121 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC000061070332 1102256696 /nfs/dbraw/zinc/25/66/96/1102256696.db2.gz WVCQFOMYZGBTGP-UHFFFAOYSA-N 2 1 365.565 4.039 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655751169 1102268154 /nfs/dbraw/zinc/26/81/54/1102268154.db2.gz FXCZQGDOSUSXPG-KNQAVFIVSA-N 2 1 371.569 4.429 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655751169 1102268162 /nfs/dbraw/zinc/26/81/62/1102268162.db2.gz FXCZQGDOSUSXPG-KNQAVFIVSA-N 2 1 371.569 4.429 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120825278 1102272060 /nfs/dbraw/zinc/27/20/60/1102272060.db2.gz DXSMFOMOSYZXFC-HXUWFJFHSA-N 2 1 367.537 4.118 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120825278 1102272070 /nfs/dbraw/zinc/27/20/70/1102272070.db2.gz DXSMFOMOSYZXFC-HXUWFJFHSA-N 2 1 367.537 4.118 20 0 FIADMP Cc1cc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000532441730 1102329996 /nfs/dbraw/zinc/32/99/96/1102329996.db2.gz FZHKJDXWGQUDSK-MAUKXSAKSA-N 2 1 363.596 4.066 20 0 FIADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000532442825 1102331124 /nfs/dbraw/zinc/33/11/24/1102331124.db2.gz LQSPPTFXKTWPRM-YJBOKZPZSA-N 2 1 363.958 4.041 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000040622737 1102344335 /nfs/dbraw/zinc/34/43/35/1102344335.db2.gz HJIKOJYBOLZTOF-NXVRBGIVSA-N 2 1 351.332 4.015 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532448476 1102345902 /nfs/dbraw/zinc/34/59/02/1102345902.db2.gz ZOVMGRKWOGTBQU-QGZVFWFLSA-N 2 1 365.521 4.262 20 0 FIADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969068 1102346559 /nfs/dbraw/zinc/34/65/59/1102346559.db2.gz ZEEFMFLOYOXKLD-DFNIBXOVSA-N 2 1 367.537 4.037 20 0 FIADMP CC[NH+]1CCC(N[C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000532460824 1102367771 /nfs/dbraw/zinc/36/77/71/1102367771.db2.gz KKGIBCNYMGIVLK-OAHLLOKOSA-N 2 1 355.345 4.060 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000532460824 1102367776 /nfs/dbraw/zinc/36/77/76/1102367776.db2.gz KKGIBCNYMGIVLK-OAHLLOKOSA-N 2 1 355.345 4.060 20 0 FIADMP Fc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCOCC1 ZINC001167969386 1102369558 /nfs/dbraw/zinc/36/95/58/1102369558.db2.gz BOOWSMOQPBFLOB-MNRDOXJOSA-N 2 1 372.528 4.288 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550818433 1102393915 /nfs/dbraw/zinc/39/39/15/1102393915.db2.gz AEMKNMXZMGIISP-IRLDBZIGSA-N 2 1 350.506 4.152 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550818433 1102393928 /nfs/dbraw/zinc/39/39/28/1102393928.db2.gz AEMKNMXZMGIISP-IRLDBZIGSA-N 2 1 350.506 4.152 20 0 FIADMP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121572721 1102418247 /nfs/dbraw/zinc/41/82/47/1102418247.db2.gz RBDUXVHZSUWEMU-INIZCTEOSA-N 2 1 374.554 4.447 20 0 FIADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971200 1102424476 /nfs/dbraw/zinc/42/44/76/1102424476.db2.gz SFVJFYBKMXTMLS-LATSOQNDSA-N 2 1 350.510 4.148 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000550091098 1102453198 /nfs/dbraw/zinc/45/31/98/1102453198.db2.gz BFULMKNMUHCDFR-UHFFFAOYSA-N 2 1 367.415 4.360 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000121953418 1102501094 /nfs/dbraw/zinc/50/10/94/1102501094.db2.gz PQUFWWGVJLYTOD-LHDHZVESSA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@@H]1c1cccs1 ZINC000121953418 1102501097 /nfs/dbraw/zinc/50/10/97/1102501097.db2.gz PQUFWWGVJLYTOD-LHDHZVESSA-N 2 1 360.567 4.068 20 0 FIADMP Oc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc2)cc1 ZINC001167973124 1102524852 /nfs/dbraw/zinc/52/48/52/1102524852.db2.gz HHMAGBQLANNKKV-IFBIMPTNSA-N 2 1 362.517 4.477 20 0 FIADMP Oc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc2)cc1 ZINC001167973124 1102524864 /nfs/dbraw/zinc/52/48/64/1102524864.db2.gz HHMAGBQLANNKKV-IFBIMPTNSA-N 2 1 362.517 4.477 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000550857776 1102564868 /nfs/dbraw/zinc/56/48/68/1102564868.db2.gz YKGNRTLNMINQTG-CQSZACIVSA-N 2 1 374.410 4.488 20 0 FIADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123567146 1102628840 /nfs/dbraw/zinc/62/88/40/1102628840.db2.gz NTTFGWOYGAMTCL-IAGOWNOFSA-N 2 1 350.466 4.091 20 0 FIADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123567146 1102628849 /nfs/dbraw/zinc/62/88/49/1102628849.db2.gz NTTFGWOYGAMTCL-IAGOWNOFSA-N 2 1 350.466 4.091 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001168251916 1102649834 /nfs/dbraw/zinc/64/98/34/1102649834.db2.gz FDUBFEMHMGMYDO-KRWDZBQOSA-N 2 1 352.950 4.471 20 0 FIADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252153 1102651424 /nfs/dbraw/zinc/65/14/24/1102651424.db2.gz NIOYDKDECIFXHO-GGAORHGYSA-N 2 1 364.533 4.053 20 0 FIADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252153 1102651430 /nfs/dbraw/zinc/65/14/30/1102651430.db2.gz NIOYDKDECIFXHO-GGAORHGYSA-N 2 1 364.533 4.053 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881682 1102651871 /nfs/dbraw/zinc/65/18/71/1102651871.db2.gz BDYZAMNLLFVBIF-NZQKXSOJSA-N 2 1 364.533 4.266 20 0 FIADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550885782 1102657085 /nfs/dbraw/zinc/65/70/85/1102657085.db2.gz JIWFAVASLGRRDV-PABCKOPISA-N 2 1 370.581 4.330 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@H+](CC[C@H]4CCCC[NH+]4C)CC3)c2c1 ZINC000532654946 1102732913 /nfs/dbraw/zinc/73/29/13/1102732913.db2.gz IAECPFHLXJLRRX-GOSISDBHSA-N 2 1 353.510 4.140 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@H]4CCCC[NH+]4C)CC3)c2c1 ZINC000532654946 1102732926 /nfs/dbraw/zinc/73/29/26/1102732926.db2.gz IAECPFHLXJLRRX-GOSISDBHSA-N 2 1 353.510 4.140 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[NH+](CC[C@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000532654946 1102732932 /nfs/dbraw/zinc/73/29/32/1102732932.db2.gz IAECPFHLXJLRRX-GOSISDBHSA-N 2 1 353.510 4.140 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[NH+](CC[C@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000532654946 1102732945 /nfs/dbraw/zinc/73/29/45/1102732945.db2.gz IAECPFHLXJLRRX-GOSISDBHSA-N 2 1 353.510 4.140 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000550977391 1102738797 /nfs/dbraw/zinc/73/87/97/1102738797.db2.gz SZRQCIVKSMDKPC-ACRUOGEOSA-N 2 1 369.578 4.310 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123024708 1102740330 /nfs/dbraw/zinc/74/03/30/1102740330.db2.gz ODTVUNKWPKLNJE-DOTOQJQBSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123024708 1102740340 /nfs/dbraw/zinc/74/03/40/1102740340.db2.gz ODTVUNKWPKLNJE-DOTOQJQBSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123024708 1102740350 /nfs/dbraw/zinc/74/03/50/1102740350.db2.gz ODTVUNKWPKLNJE-DOTOQJQBSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123024708 1102740359 /nfs/dbraw/zinc/74/03/59/1102740359.db2.gz ODTVUNKWPKLNJE-DOTOQJQBSA-N 2 1 358.448 4.279 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000044 1102764594 /nfs/dbraw/zinc/76/45/94/1102764594.db2.gz HKNNDUXQPLBFJT-BVYCBKJFSA-N 2 1 371.956 4.368 20 0 FIADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000044 1102764605 /nfs/dbraw/zinc/76/46/05/1102764605.db2.gz HKNNDUXQPLBFJT-BVYCBKJFSA-N 2 1 371.956 4.368 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694554 1102876032 /nfs/dbraw/zinc/87/60/32/1102876032.db2.gz MKMVTLQGCGWRLJ-SLYNCCJLSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000537694554 1102876048 /nfs/dbraw/zinc/87/60/48/1102876048.db2.gz MKMVTLQGCGWRLJ-SLYNCCJLSA-N 2 1 374.912 4.284 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000506864501 1102917211 /nfs/dbraw/zinc/91/72/11/1102917211.db2.gz BAEKWVPUDSCGEO-UHFFFAOYSA-N 2 1 370.484 4.241 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000537696094 1102956258 /nfs/dbraw/zinc/95/62/58/1102956258.db2.gz DFEKWYXMBJZPNG-PIPMEXSNSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000537696094 1102956262 /nfs/dbraw/zinc/95/62/62/1102956262.db2.gz DFEKWYXMBJZPNG-PIPMEXSNSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1cccc2nc(CN3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cn21 ZINC000476976157 1102989121 /nfs/dbraw/zinc/98/91/21/1102989121.db2.gz VXSYGPANLBRYOH-GOSISDBHSA-N 2 1 354.542 4.119 20 0 FIADMP Cc1cccc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)cn21 ZINC000476976157 1102989125 /nfs/dbraw/zinc/98/91/25/1102989125.db2.gz VXSYGPANLBRYOH-GOSISDBHSA-N 2 1 354.542 4.119 20 0 FIADMP Cc1cccc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cn21 ZINC000476976157 1102989127 /nfs/dbraw/zinc/98/91/27/1102989127.db2.gz VXSYGPANLBRYOH-GOSISDBHSA-N 2 1 354.542 4.119 20 0 FIADMP Cn1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccc(Cl)cc2)n1 ZINC000551263769 1103022590 /nfs/dbraw/zinc/02/25/90/1103022590.db2.gz FBHVIQYEGXBQJP-FQEVSTJZSA-N 2 1 360.933 4.019 20 0 FIADMP C[C@H](CC1CCCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265357 1103024771 /nfs/dbraw/zinc/02/47/71/1103024771.db2.gz UBCBRZOUMSWCAD-OFNKIYASSA-N 2 1 370.581 4.474 20 0 FIADMP COc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000551267609 1103028131 /nfs/dbraw/zinc/02/81/31/1103028131.db2.gz FYWGNMXNDOWJJB-UHFFFAOYSA-N 2 1 368.521 4.237 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2O1 ZINC000729679682 1103043027 /nfs/dbraw/zinc/04/30/27/1103043027.db2.gz OGLYSBWRZSXPRJ-NRFANRHFSA-N 2 1 364.533 4.054 20 0 FIADMP COc1cccc(CN2CCC[C@H]([N@H+](C)Cc3cccc(OC)c3)CC2)c1 ZINC000532827666 1103243498 /nfs/dbraw/zinc/24/34/98/1103243498.db2.gz PWTUMCGJXCXGJD-NRFANRHFSA-N 2 1 368.521 4.190 20 0 FIADMP COc1cccc(C[N@H+](C)[C@H]2CCC[NH+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827666 1103243503 /nfs/dbraw/zinc/24/35/03/1103243503.db2.gz PWTUMCGJXCXGJD-NRFANRHFSA-N 2 1 368.521 4.190 20 0 FIADMP COc1cccc(C[N@@H+](C)[C@H]2CCC[NH+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827666 1103243514 /nfs/dbraw/zinc/24/35/14/1103243514.db2.gz PWTUMCGJXCXGJD-NRFANRHFSA-N 2 1 368.521 4.190 20 0 FIADMP COc1cccc(C[NH+](C)[C@H]2CCC[N@H+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827666 1103243525 /nfs/dbraw/zinc/24/35/25/1103243525.db2.gz PWTUMCGJXCXGJD-NRFANRHFSA-N 2 1 368.521 4.190 20 0 FIADMP COc1ncc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000551539829 1103317483 /nfs/dbraw/zinc/31/74/83/1103317483.db2.gz HBBSMKMJCUFRLK-XHSDSOJGSA-N 2 1 353.938 4.152 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427291207 1103416175 /nfs/dbraw/zinc/41/61/75/1103416175.db2.gz ZERCNRCUMQKXAS-GOSISDBHSA-N 2 1 357.542 4.169 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCc4ccc5ccccc5n4)[C@@H]3C2)cc1 ZINC000507519017 1103463202 /nfs/dbraw/zinc/46/32/02/1103463202.db2.gz GQZBXBDWPMVYMT-PWWKTKHKSA-N 2 1 371.528 4.278 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000551948277 1103803073 /nfs/dbraw/zinc/80/30/73/1103803073.db2.gz IKCUDFAWMQZHFR-UHFFFAOYSA-N 2 1 367.537 4.221 20 0 FIADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000520244551 1104204704 /nfs/dbraw/zinc/20/47/04/1104204704.db2.gz YJKBORRLAZRGAY-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000520244551 1104204712 /nfs/dbraw/zinc/20/47/12/1104204712.db2.gz YJKBORRLAZRGAY-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3)CC2)cs1 ZINC000112546806 1104369218 /nfs/dbraw/zinc/36/92/18/1104369218.db2.gz WRXMHMQFBSKXLN-HNNXBMFYSA-N 2 1 361.530 4.407 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4ccccc43)CC2)oc1C ZINC000112547312 1104369356 /nfs/dbraw/zinc/36/93/56/1104369356.db2.gz CRWBBQQMXYDSFC-OAQYLSRUSA-N 2 1 353.510 4.171 20 0 FIADMP Cc1cccn2c(C[NH2+]C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC001168007427 1105129821 /nfs/dbraw/zinc/12/98/21/1105129821.db2.gz AQPHGOBIFBJRPS-OALUTQOASA-N 2 1 362.521 4.174 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC001168007862 1105145881 /nfs/dbraw/zinc/14/58/81/1105145881.db2.gz VFBSBYKOYFILKT-QZTJIDSGSA-N 2 1 368.521 4.235 20 0 FIADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000507809871 1105176167 /nfs/dbraw/zinc/17/61/67/1105176167.db2.gz FQEQHJPFZFDARW-ACESQOTJSA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809871 1105176169 /nfs/dbraw/zinc/17/61/69/1105176169.db2.gz FQEQHJPFZFDARW-ACESQOTJSA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809871 1105176171 /nfs/dbraw/zinc/17/61/71/1105176171.db2.gz FQEQHJPFZFDARW-ACESQOTJSA-N 2 1 356.554 4.178 20 0 FIADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000507866916 1105248762 /nfs/dbraw/zinc/24/87/62/1105248762.db2.gz VGXVSQUSZZBIGQ-OAQYLSRUSA-N 2 1 356.460 4.249 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ccn1 ZINC000427868050 1105303559 /nfs/dbraw/zinc/30/35/59/1105303559.db2.gz VUAFITZFRVBWOS-QHAWAJNXSA-N 2 1 367.562 4.194 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000390837000 1106751198 /nfs/dbraw/zinc/75/11/98/1106751198.db2.gz AMXDBGNCPCAYKM-RTWAWAEBSA-N 2 1 356.554 4.369 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000390837000 1106751209 /nfs/dbraw/zinc/75/12/09/1106751209.db2.gz AMXDBGNCPCAYKM-RTWAWAEBSA-N 2 1 356.554 4.369 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000655713803 1106868252 /nfs/dbraw/zinc/86/82/52/1106868252.db2.gz WSKGENZYFINCPT-INIZCTEOSA-N 2 1 371.352 4.114 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167978713 1106902930 /nfs/dbraw/zinc/90/29/30/1106902930.db2.gz XQTYMLUGLSPARW-BEFAXECRSA-N 2 1 364.497 4.081 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)O1 ZINC000451171863 1106958095 /nfs/dbraw/zinc/95/80/95/1106958095.db2.gz ULFIRVXSCDESCE-SOZYPREZSA-N 2 1 362.945 4.409 20 0 FIADMP C[NH+](C)[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)c1ccco1 ZINC000301316155 1106989499 /nfs/dbraw/zinc/98/94/99/1106989499.db2.gz NFWFOQHUVPCDLO-INIZCTEOSA-N 2 1 360.255 4.305 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301987356 1107240628 /nfs/dbraw/zinc/24/06/28/1107240628.db2.gz NFEJPFCXERWMIH-HNNXBMFYSA-N 2 1 360.299 4.062 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3SCCc4ccccc43)CC2)cc1 ZINC000530913379 1107407304 /nfs/dbraw/zinc/40/73/04/1107407304.db2.gz RGMPWCYPCVIQJB-JOCHJYFZSA-N 2 1 352.547 4.271 20 0 FIADMP C[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000655717881 1107571516 /nfs/dbraw/zinc/57/15/16/1107571516.db2.gz FKRRWTIMIZJRGO-BEFAXECRSA-N 2 1 370.459 4.042 20 0 FIADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152441299 1107647537 /nfs/dbraw/zinc/64/75/37/1107647537.db2.gz VWIAIXUZTJBYFR-LRDDRELGSA-N 2 1 367.356 4.060 20 0 FIADMP CC[N@H+]1CC[C@H](NCc2ccc(Oc3cc(C)ccc3C)nc2)[C@H](C)C1 ZINC000531683157 1108069090 /nfs/dbraw/zinc/06/90/90/1108069090.db2.gz XHNADAZFYWOTJY-QUCCMNQESA-N 2 1 353.510 4.311 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@H](C)C1 ZINC000531683157 1108069105 /nfs/dbraw/zinc/06/91/05/1108069105.db2.gz XHNADAZFYWOTJY-QUCCMNQESA-N 2 1 353.510 4.311 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccs2)cc1 ZINC000444667173 1108070115 /nfs/dbraw/zinc/07/01/15/1108070115.db2.gz SDTXGGDYACXNQV-VAMGGRTRSA-N 2 1 356.535 4.099 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccs2)cc1 ZINC000444667167 1108070336 /nfs/dbraw/zinc/07/03/36/1108070336.db2.gz SDTXGGDYACXNQV-AABGKKOBSA-N 2 1 356.535 4.099 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2sccc21 ZINC000453072612 1108125775 /nfs/dbraw/zinc/12/57/75/1108125775.db2.gz DUWLQVSWNAXDSB-UZLBHIALSA-N 2 1 356.535 4.309 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054022 1108130836 /nfs/dbraw/zinc/13/08/36/1108130836.db2.gz BLJJHOCZKGFGSK-XLIONFOSSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054022 1108130843 /nfs/dbraw/zinc/13/08/43/1108130843.db2.gz BLJJHOCZKGFGSK-XLIONFOSSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062874 1108140939 /nfs/dbraw/zinc/14/09/39/1108140939.db2.gz QVGIAVYCTOMAGW-PXNSSMCTSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062874 1108140944 /nfs/dbraw/zinc/14/09/44/1108140944.db2.gz QVGIAVYCTOMAGW-PXNSSMCTSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2sccc21 ZINC000453197027 1108266659 /nfs/dbraw/zinc/26/66/59/1108266659.db2.gz MSFCCULGYPBWHB-OZOXKJRCSA-N 2 1 370.562 4.433 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cc(-c2ccccc2)nn1C ZINC000453197595 1108267558 /nfs/dbraw/zinc/26/75/58/1108267558.db2.gz NLIHLQDPXQGPOW-CMKODMSKSA-N 2 1 366.553 4.391 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453205611 1108275317 /nfs/dbraw/zinc/27/53/17/1108275317.db2.gz HAJWMPHFCRIWCQ-GPVXHPMSSA-N 2 1 356.554 4.224 20 0 FIADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453229983 1108304312 /nfs/dbraw/zinc/30/43/12/1108304312.db2.gz PLUJAIGXIQFFIN-ADXGEFSYSA-N 2 1 352.444 4.360 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000531932640 1108403815 /nfs/dbraw/zinc/40/38/15/1108403815.db2.gz BLLKPISQOJOZQE-ZHRRBRCNSA-N 2 1 366.484 4.273 20 0 FIADMP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531938809 1108413859 /nfs/dbraw/zinc/41/38/59/1108413859.db2.gz DWHOHEHQNTZMOX-IBGZPJMESA-N 2 1 373.585 4.188 20 0 FIADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531938816 1108414405 /nfs/dbraw/zinc/41/44/05/1108414405.db2.gz DWHOHEHQNTZMOX-LJQANCHMSA-N 2 1 373.585 4.188 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000531979277 1108496224 /nfs/dbraw/zinc/49/62/24/1108496224.db2.gz MLFUCBSPSFUIKM-JRPNMDOOSA-N 2 1 365.732 4.344 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)cc1 ZINC000531995115 1108525620 /nfs/dbraw/zinc/52/56/20/1108525620.db2.gz YTQYVTDSXMWUHT-KRWDZBQOSA-N 2 1 366.484 4.102 20 0 FIADMP C[N@@H+](CCCC[NH2+]C1CC(c2ccc(Br)cc2F)C1)C1CC1 ZINC000453590817 1108647781 /nfs/dbraw/zinc/64/77/81/1108647781.db2.gz BOGRVVRSTFSDTA-UHFFFAOYSA-N 2 1 369.322 4.298 20 0 FIADMP Cn1cncc1C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453600688 1108651414 /nfs/dbraw/zinc/65/14/14/1108651414.db2.gz RTFNDASFCZNFOD-QHCPKHFHSA-N 2 1 366.553 4.077 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1F ZINC000532207626 1108694912 /nfs/dbraw/zinc/69/49/12/1108694912.db2.gz YMQXPFSWIWDKPH-FQEVSTJZSA-N 2 1 367.493 4.440 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1oc2ccccc2c1Br ZINC000655730562 1108813131 /nfs/dbraw/zinc/81/31/31/1108813131.db2.gz OWANXZPJZCUALT-LBPRGKRZSA-N 2 1 362.271 4.126 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C)C1 ZINC000524551019 1109066704 /nfs/dbraw/zinc/06/67/04/1109066704.db2.gz SJWDKFIUDDTMBO-LAUBAEHRSA-N 2 1 374.500 4.312 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C)C1 ZINC000524551019 1109066709 /nfs/dbraw/zinc/06/67/09/1109066709.db2.gz SJWDKFIUDDTMBO-LAUBAEHRSA-N 2 1 374.500 4.312 20 0 FIADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000524609607 1109096359 /nfs/dbraw/zinc/09/63/59/1109096359.db2.gz HGBPDISHTXRMLB-KRWDZBQOSA-N 2 1 370.459 4.282 20 0 FIADMP CC(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428451634 1109313512 /nfs/dbraw/zinc/31/35/12/1109313512.db2.gz DBPXCDOFHYGIPL-QPTUXGOLSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428451634 1109313520 /nfs/dbraw/zinc/31/35/20/1109313520.db2.gz DBPXCDOFHYGIPL-QPTUXGOLSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428451634 1109313526 /nfs/dbraw/zinc/31/35/26/1109313526.db2.gz DBPXCDOFHYGIPL-QPTUXGOLSA-N 3 1 369.597 4.140 20 0 FIADMP c1csc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000168420740 1109364071 /nfs/dbraw/zinc/36/40/71/1109364071.db2.gz VKUKOCZHOICQNI-UHFFFAOYSA-N 2 1 369.578 4.014 20 0 FIADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428463722 1109407213 /nfs/dbraw/zinc/40/72/13/1109407213.db2.gz PTQNLNLZXMGBPV-WSWWRLHASA-N 2 1 358.570 4.064 20 0 FIADMP COc1ccc(C[C@@H](C)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1F ZINC000447057617 1109425873 /nfs/dbraw/zinc/42/58/73/1109425873.db2.gz GBDSGOPSALNXPK-MRXNPFEDSA-N 2 1 372.484 4.260 20 0 FIADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781950 1109516730 /nfs/dbraw/zinc/51/67/30/1109516730.db2.gz VAIXLTUIMXHVJE-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781950 1109516732 /nfs/dbraw/zinc/51/67/32/1109516732.db2.gz VAIXLTUIMXHVJE-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781950 1109516735 /nfs/dbraw/zinc/51/67/35/1109516735.db2.gz VAIXLTUIMXHVJE-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781950 1109516737 /nfs/dbraw/zinc/51/67/37/1109516737.db2.gz VAIXLTUIMXHVJE-LJQANCHMSA-N 2 1 360.448 4.242 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000447426980 1109537820 /nfs/dbraw/zinc/53/78/20/1109537820.db2.gz GVVJPIKCNZTHEN-MRXNPFEDSA-N 2 1 371.550 4.436 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000447426980 1109537821 /nfs/dbraw/zinc/53/78/21/1109537821.db2.gz GVVJPIKCNZTHEN-MRXNPFEDSA-N 2 1 371.550 4.436 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000525869927 1109547136 /nfs/dbraw/zinc/54/71/36/1109547136.db2.gz XCVPVLJGVWQTQO-ZWOKBUDYSA-N 2 1 352.950 4.170 20 0 FIADMP CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000525954838 1109562992 /nfs/dbraw/zinc/56/29/92/1109562992.db2.gz OTVVBNIRHCGQAR-MSOLQXFVSA-N 2 1 363.596 4.229 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526108196 1109623685 /nfs/dbraw/zinc/62/36/85/1109623685.db2.gz ZSDIKLDKLJXOMM-HGHGUNKESA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526108196 1109623688 /nfs/dbraw/zinc/62/36/88/1109623688.db2.gz ZSDIKLDKLJXOMM-HGHGUNKESA-N 2 1 354.469 4.150 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000447734052 1109635822 /nfs/dbraw/zinc/63/58/22/1109635822.db2.gz SIDJCKIRHGUYAZ-QRWLVFNGSA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000447734052 1109635824 /nfs/dbraw/zinc/63/58/24/1109635824.db2.gz SIDJCKIRHGUYAZ-QRWLVFNGSA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000447734052 1109635825 /nfs/dbraw/zinc/63/58/25/1109635825.db2.gz SIDJCKIRHGUYAZ-QRWLVFNGSA-N 2 1 350.909 4.360 20 0 FIADMP Fc1cccc(Cl)c1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000447734052 1109635828 /nfs/dbraw/zinc/63/58/28/1109635828.db2.gz SIDJCKIRHGUYAZ-QRWLVFNGSA-N 2 1 350.909 4.360 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccccc3)cc2)C1 ZINC000447931661 1109682136 /nfs/dbraw/zinc/68/21/36/1109682136.db2.gz OVDDYHOFNVIDKZ-FQEVSTJZSA-N 2 1 374.532 4.394 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)cn1 ZINC000527840999 1109836130 /nfs/dbraw/zinc/83/61/30/1109836130.db2.gz FYTQJJZQGMUNHJ-FRGLQRNOSA-N 2 1 365.521 4.184 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)cn1 ZINC000527840999 1109836136 /nfs/dbraw/zinc/83/61/36/1109836136.db2.gz FYTQJJZQGMUNHJ-FRGLQRNOSA-N 2 1 365.521 4.184 20 0 FIADMP CC[C@H](CCc1ccccc1)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000527871524 1109845406 /nfs/dbraw/zinc/84/54/06/1109845406.db2.gz PWPJYCSMVBMXLE-HXUWFJFHSA-N 2 1 352.526 4.063 20 0 FIADMP CC(C)c1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000527883627 1109849069 /nfs/dbraw/zinc/84/90/69/1109849069.db2.gz DLUFUVQCYJGIPZ-MBSDFSHPSA-N 2 1 352.522 4.227 20 0 FIADMP COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OC)c1 ZINC000527921858 1109862997 /nfs/dbraw/zinc/86/29/97/1109862997.db2.gz VOWLJFCYQBKRIG-ZHRRBRCNSA-N 2 1 365.477 4.228 20 0 FIADMP c1c2cccnc2oc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000449031234 1109960014 /nfs/dbraw/zinc/96/00/14/1109960014.db2.gz WFAKMBHXENCHCH-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cccnc2oc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000449031234 1109960015 /nfs/dbraw/zinc/96/00/15/1109960015.db2.gz WFAKMBHXENCHCH-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cccnc2oc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000449031234 1109960018 /nfs/dbraw/zinc/96/00/18/1109960018.db2.gz WFAKMBHXENCHCH-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cccnc2oc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000449031234 1109960019 /nfs/dbraw/zinc/96/00/19/1109960019.db2.gz WFAKMBHXENCHCH-QHCPKHFHSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cccnc2oc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000449031232 1109960162 /nfs/dbraw/zinc/96/01/62/1109960162.db2.gz WFAKMBHXENCHCH-HSZRJFAPSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cccnc2oc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000449031232 1109960164 /nfs/dbraw/zinc/96/01/64/1109960164.db2.gz WFAKMBHXENCHCH-HSZRJFAPSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cccnc2oc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000449031232 1109960165 /nfs/dbraw/zinc/96/01/65/1109960165.db2.gz WFAKMBHXENCHCH-HSZRJFAPSA-N 2 1 361.489 4.316 20 0 FIADMP c1c2cccnc2oc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000449031232 1109960167 /nfs/dbraw/zinc/96/01/67/1109960167.db2.gz WFAKMBHXENCHCH-HSZRJFAPSA-N 2 1 361.489 4.316 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3c(OC)c2)[C@@H](C)C1 ZINC000449137132 1109979740 /nfs/dbraw/zinc/97/97/40/1109979740.db2.gz DQZYBVBTHXBGSA-AVRDEDQJSA-N 2 1 370.537 4.075 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449129634 1109981631 /nfs/dbraw/zinc/98/16/31/1109981631.db2.gz DACWUECBKZBSIZ-AWEZNQCLSA-N 2 1 365.493 4.298 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449129634 1109981633 /nfs/dbraw/zinc/98/16/33/1109981633.db2.gz DACWUECBKZBSIZ-AWEZNQCLSA-N 2 1 365.493 4.298 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000449137850 1109983725 /nfs/dbraw/zinc/98/37/25/1109983725.db2.gz YVLBEAMKXGJMCV-VGSWGCGISA-N 2 1 350.506 4.065 20 0 FIADMP Cc1ccsc1[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449176099 1109988994 /nfs/dbraw/zinc/98/89/94/1109988994.db2.gz RYFJNTCCDJLHHI-QGZVFWFLSA-N 2 1 352.588 4.359 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@@H]1c1cccs1 ZINC000449160275 1109989577 /nfs/dbraw/zinc/98/95/77/1109989577.db2.gz LDMLHIQGHHLLNI-OXQOHEQNSA-N 2 1 358.555 4.232 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@@H]1c1cccs1 ZINC000449160275 1109989580 /nfs/dbraw/zinc/98/95/80/1109989580.db2.gz LDMLHIQGHHLLNI-OXQOHEQNSA-N 2 1 358.555 4.232 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449164671 1109990486 /nfs/dbraw/zinc/99/04/86/1109990486.db2.gz QKYUJZUBFVZDSD-MRXNPFEDSA-N 2 1 366.278 4.150 20 0 FIADMP CCSc1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)ccn1 ZINC000449261325 1110018180 /nfs/dbraw/zinc/01/81/80/1110018180.db2.gz ZQIARVVOPFAVKN-GOSISDBHSA-N 2 1 369.578 4.379 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342830 1110034557 /nfs/dbraw/zinc/03/45/57/1110034557.db2.gz FPURWCPKRWRPQF-FCHUYYIVSA-N 2 1 356.554 4.084 20 0 FIADMP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000449346446 1110036068 /nfs/dbraw/zinc/03/60/68/1110036068.db2.gz ZLAKZPSVIBEGQR-NRFANRHFSA-N 2 1 370.562 4.075 20 0 FIADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3csc(C)c3)CC2)c1C ZINC000449335118 1110040684 /nfs/dbraw/zinc/04/06/84/1110040684.db2.gz YXQQAYCWIOJHKG-UHFFFAOYSA-N 2 1 373.566 4.173 20 0 FIADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3csc(C)c3)CC2)c1C ZINC000449335118 1110040688 /nfs/dbraw/zinc/04/06/88/1110040688.db2.gz YXQQAYCWIOJHKG-UHFFFAOYSA-N 2 1 373.566 4.173 20 0 FIADMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416288 1110056459 /nfs/dbraw/zinc/05/64/59/1110056459.db2.gz SQPOOKRHOLIBJF-UNMCSNQZSA-N 2 1 356.554 4.036 20 0 FIADMP C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449440407 1110079966 /nfs/dbraw/zinc/07/99/66/1110079966.db2.gz ZHJBMHVCMPIKGA-CRAIPNDOSA-N 2 1 363.427 4.101 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000449619380 1110127318 /nfs/dbraw/zinc/12/73/18/1110127318.db2.gz PGVLMAIIYGCTMK-QGQQZZQASA-N 2 1 364.533 4.441 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449634259 1110135811 /nfs/dbraw/zinc/13/58/11/1110135811.db2.gz ZVPOXAYAMHNDOD-OYNPSCLESA-N 2 1 370.562 4.468 20 0 FIADMP C[C@H](c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1)C(F)(F)F ZINC000450599899 1110318563 /nfs/dbraw/zinc/31/85/63/1110318563.db2.gz LXSCPGWJCAMUJQ-UTRMSSBJSA-N 2 1 370.459 4.036 20 0 FIADMP C[N@@H+](CCCC(=O)c1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450641487 1110321096 /nfs/dbraw/zinc/32/10/96/1110321096.db2.gz NWNQOPGKXTWIEL-UHFFFAOYSA-N 2 1 369.484 4.032 20 0 FIADMP CC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000450653838 1110324915 /nfs/dbraw/zinc/32/49/15/1110324915.db2.gz WGFBTNPCRLCFPJ-UHFFFAOYSA-N 2 1 362.517 4.377 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000538407791 1111128982 /nfs/dbraw/zinc/12/89/82/1111128982.db2.gz KUSCVWRJMRZQJO-SGCGGLILSA-N 2 1 356.554 4.080 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@H](C)O1 ZINC000461385686 1111192842 /nfs/dbraw/zinc/19/28/42/1111192842.db2.gz ICFMQBMQMVQKHP-CALCHBBNSA-N 2 1 366.496 4.336 20 0 FIADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538717080 1111259391 /nfs/dbraw/zinc/25/93/91/1111259391.db2.gz AZQCLKYNVIGHMN-IBGZPJMESA-N 2 1 366.553 4.088 20 0 FIADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538717080 1111259396 /nfs/dbraw/zinc/25/93/96/1111259396.db2.gz AZQCLKYNVIGHMN-IBGZPJMESA-N 2 1 366.553 4.088 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)cs1 ZINC000538795878 1111293797 /nfs/dbraw/zinc/29/37/97/1111293797.db2.gz BOOIXUMFJGNSGM-GIVPXCGWSA-N 2 1 356.535 4.099 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2Br)[C@H](C)C1 ZINC000539053395 1111401708 /nfs/dbraw/zinc/40/17/08/1111401708.db2.gz FYAWWTPEQSRAGQ-PBHICJAKSA-N 2 1 353.348 4.047 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000539055070 1111402919 /nfs/dbraw/zinc/40/29/19/1111402919.db2.gz UPPFIJPFESQIQH-HNNXBMFYSA-N 2 1 366.534 4.409 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000539047844 1111411470 /nfs/dbraw/zinc/41/14/70/1111411470.db2.gz XRMXTBQWHKNRRP-HOTGVXAUSA-N 2 1 368.949 4.376 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000539047844 1111411472 /nfs/dbraw/zinc/41/14/72/1111411472.db2.gz XRMXTBQWHKNRRP-HOTGVXAUSA-N 2 1 368.949 4.376 20 0 FIADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000539068552 1111417434 /nfs/dbraw/zinc/41/74/34/1111417434.db2.gz UFERFJSMBDUAPK-QSFXBCCZSA-N 2 1 359.489 4.291 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000539071030 1111418111 /nfs/dbraw/zinc/41/81/11/1111418111.db2.gz SXYZSVOCLHALQU-FZKQIMNGSA-N 2 1 362.315 4.257 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000462032790 1111467374 /nfs/dbraw/zinc/46/73/74/1111467374.db2.gz SLGCPKXKNYZTSE-JOCHJYFZSA-N 2 1 356.485 4.192 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)CC2)oc1C ZINC000539201624 1111470240 /nfs/dbraw/zinc/47/02/40/1111470240.db2.gz ICMYEXGLTGIBFO-QFIPXVFZSA-N 2 1 371.500 4.383 20 0 FIADMP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccccc2)n1 ZINC000539397981 1111549430 /nfs/dbraw/zinc/54/94/30/1111549430.db2.gz CXMRCIUIDURKKX-HXUWFJFHSA-N 2 1 366.553 4.175 20 0 FIADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccccc2)n1 ZINC000539397981 1111549436 /nfs/dbraw/zinc/54/94/36/1111549436.db2.gz CXMRCIUIDURKKX-HXUWFJFHSA-N 2 1 366.553 4.175 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000552048407 1111557681 /nfs/dbraw/zinc/55/76/81/1111557681.db2.gz RITVLYBRTKEXFN-CDQBWFRLSA-N 2 1 356.554 4.223 20 0 FIADMP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000552087533 1111569736 /nfs/dbraw/zinc/56/97/36/1111569736.db2.gz KNJGIVWMHCWKAF-QPTUXGOLSA-N 2 1 363.549 4.213 20 0 FIADMP CC[C@H]1C[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC000552273262 1111654217 /nfs/dbraw/zinc/65/42/17/1111654217.db2.gz AUWLPDMXIMZCIB-YADHBBJMSA-N 2 1 356.554 4.180 20 0 FIADMP CC[C@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCO1 ZINC000552273261 1111654275 /nfs/dbraw/zinc/65/42/75/1111654275.db2.gz AUWLPDMXIMZCIB-VXKWHMMOSA-N 2 1 356.554 4.180 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552277189 1111655934 /nfs/dbraw/zinc/65/59/34/1111655934.db2.gz QPUTULRWORPCRM-YUMYIRISSA-N 2 1 356.554 4.224 20 0 FIADMP CCOc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1O ZINC000552906635 1111850428 /nfs/dbraw/zinc/85/04/28/1111850428.db2.gz OYEDAZVCNGCEIJ-HNNXBMFYSA-N 2 1 351.450 4.136 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1C(F)(F)F ZINC000479264033 1111978844 /nfs/dbraw/zinc/97/88/44/1111978844.db2.gz SLDKXCBBIYLJQH-JTQLQIEISA-N 2 1 353.226 4.070 20 0 FIADMP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c2cc(F)c(OC)cc21 ZINC000479292174 1111986984 /nfs/dbraw/zinc/98/69/84/1111986984.db2.gz WKKPLDAAFHSEIT-UHFFFAOYSA-N 2 1 356.445 4.058 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000479368078 1112002189 /nfs/dbraw/zinc/00/21/89/1112002189.db2.gz XSPXOXKUZUCUEO-KZULUSFZSA-N 2 1 367.306 4.113 20 0 FIADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479889565 1112186921 /nfs/dbraw/zinc/18/69/21/1112186921.db2.gz VRHCHULXRYRVIA-HXOBKFHXSA-N 2 1 368.496 4.071 20 0 FIADMP CC(C)c1nnc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898517548 1112288904 /nfs/dbraw/zinc/28/89/04/1112288904.db2.gz PSPPSVOFHJYOQW-QYZOEREBSA-N 2 1 370.566 4.052 20 0 FIADMP FC(F)c1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000898518109 1112289600 /nfs/dbraw/zinc/28/96/00/1112289600.db2.gz YUDOUSIPEFABKK-AABGKKOBSA-N 2 1 371.475 4.410 20 0 FIADMP COc1ccc(C2([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000480204658 1112331968 /nfs/dbraw/zinc/33/19/68/1112331968.db2.gz ZLXSDZRDIQMDFP-QUCCMNQESA-N 2 1 350.506 4.185 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)cn1 ZINC000480339172 1112387581 /nfs/dbraw/zinc/38/75/81/1112387581.db2.gz WCMYNHHRCYILLO-BBWFWOEESA-N 2 1 373.928 4.195 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C ZINC000667664288 1112394945 /nfs/dbraw/zinc/39/49/45/1112394945.db2.gz HPQJNSKXAXOQOY-QFBILLFUSA-N 2 1 357.473 4.318 20 0 FIADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000030907191 1112464682 /nfs/dbraw/zinc/46/46/82/1112464682.db2.gz QPMWXZKGXZCNJF-CQSZACIVSA-N 2 1 353.491 4.130 20 0 FIADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000030907191 1112464686 /nfs/dbraw/zinc/46/46/86/1112464686.db2.gz QPMWXZKGXZCNJF-CQSZACIVSA-N 2 1 353.491 4.130 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000480608968 1112499022 /nfs/dbraw/zinc/49/90/22/1112499022.db2.gz IJQLPHNNTZOJAP-GIWBLDEGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000480608968 1112499026 /nfs/dbraw/zinc/49/90/26/1112499026.db2.gz IJQLPHNNTZOJAP-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000480608968 1112499028 /nfs/dbraw/zinc/49/90/28/1112499028.db2.gz IJQLPHNNTZOJAP-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000480608968 1112499031 /nfs/dbraw/zinc/49/90/31/1112499031.db2.gz IJQLPHNNTZOJAP-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000480608968 1112499035 /nfs/dbraw/zinc/49/90/35/1112499035.db2.gz IJQLPHNNTZOJAP-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000480643856 1112518405 /nfs/dbraw/zinc/51/84/05/1112518405.db2.gz SYHKYGRDOOUQCB-ZWKOTPCHSA-N 2 1 372.532 4.483 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635487 1112523814 /nfs/dbraw/zinc/52/38/14/1112523814.db2.gz AIJMLZTYJKSCJK-ROUUACIJSA-N 2 1 366.505 4.498 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000480657195 1112533070 /nfs/dbraw/zinc/53/30/70/1112533070.db2.gz DNXPZIPSHIGRGC-LJQANCHMSA-N 2 1 366.553 4.202 20 0 FIADMP C[C@@H]([NH2+]CCCNc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480694842 1112557712 /nfs/dbraw/zinc/55/77/12/1112557712.db2.gz QBWQHQVNMIPGHE-UYAOXDASSA-N 2 1 355.501 4.128 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)CC1 ZINC000480720861 1112562532 /nfs/dbraw/zinc/56/25/32/1112562532.db2.gz LJZIZTSMPWMALQ-NRFANRHFSA-N 2 1 369.578 4.053 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000480757679 1112589427 /nfs/dbraw/zinc/58/94/27/1112589427.db2.gz LTMRCFMMPGWCGT-IFMALSPDSA-N 2 1 358.570 4.474 20 0 FIADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162867107 1112842814 /nfs/dbraw/zinc/84/28/14/1112842814.db2.gz VQXRRNULMZRFQQ-XHSDSOJGSA-N 2 1 367.603 4.289 20 0 FIADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000481433673 1112941907 /nfs/dbraw/zinc/94/19/07/1112941907.db2.gz JIWJGGCNPWVQCK-SFHVURJKSA-N 2 1 354.416 4.179 20 0 FIADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000481433672 1112942103 /nfs/dbraw/zinc/94/21/03/1112942103.db2.gz JIWJGGCNPWVQCK-GOSISDBHSA-N 2 1 354.416 4.179 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533627 1112971406 /nfs/dbraw/zinc/97/14/06/1112971406.db2.gz LECIZGHHDXSTMS-OALUTQOASA-N 2 1 364.533 4.247 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC2 ZINC000481533627 1112971410 /nfs/dbraw/zinc/97/14/10/1112971410.db2.gz LECIZGHHDXSTMS-OALUTQOASA-N 2 1 364.533 4.247 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732137 1113058758 /nfs/dbraw/zinc/05/87/58/1113058758.db2.gz DWZRYNCQVUZFRU-IAGOWNOFSA-N 2 1 355.295 4.113 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915220 1113131277 /nfs/dbraw/zinc/13/12/77/1113131277.db2.gz CJJOMJJCQIBMBZ-DYESRHJHSA-N 2 1 355.551 4.486 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000481915220 1113131280 /nfs/dbraw/zinc/13/12/80/1113131280.db2.gz CJJOMJJCQIBMBZ-DYESRHJHSA-N 2 1 355.551 4.486 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000481911233 1113135075 /nfs/dbraw/zinc/13/50/75/1113135075.db2.gz PPINATZYMQPDDY-UHFFFAOYSA-N 2 1 369.347 4.012 20 0 FIADMP CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482120133 1113181269 /nfs/dbraw/zinc/18/12/69/1113181269.db2.gz AHMDKGGKLWEMRN-NHCUHLMSSA-N 2 1 373.585 4.240 20 0 FIADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000482159204 1113187470 /nfs/dbraw/zinc/18/74/70/1113187470.db2.gz WFKUQNTUNHAMNF-JOCHJYFZSA-N 2 1 364.533 4.008 20 0 FIADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000482159204 1113187474 /nfs/dbraw/zinc/18/74/74/1113187474.db2.gz WFKUQNTUNHAMNF-JOCHJYFZSA-N 2 1 364.533 4.008 20 0 FIADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482159204 1113187479 /nfs/dbraw/zinc/18/74/79/1113187479.db2.gz WFKUQNTUNHAMNF-JOCHJYFZSA-N 2 1 364.533 4.008 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482220694 1113201858 /nfs/dbraw/zinc/20/18/58/1113201858.db2.gz NIBIZTUOSAPHAM-UHFFFAOYSA-N 2 1 373.368 4.405 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@H](C)C1 ZINC000482236615 1113206518 /nfs/dbraw/zinc/20/65/18/1113206518.db2.gz ASMMRCJABMSOPW-XLIONFOSSA-N 2 1 366.977 4.344 20 0 FIADMP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCCc2cccnc21 ZINC000482280007 1113216110 /nfs/dbraw/zinc/21/61/10/1113216110.db2.gz FZIWRHZTFIHHAL-NRFANRHFSA-N 2 1 361.493 4.260 20 0 FIADMP CC(C)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCCc2cccnc21 ZINC000668003223 1113223587 /nfs/dbraw/zinc/22/35/87/1113223587.db2.gz LKJREJMFGCXUKN-NRFANRHFSA-N 2 1 361.493 4.198 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000482343613 1113229829 /nfs/dbraw/zinc/22/98/29/1113229829.db2.gz LIAWHCXJUMKDQX-KBXCAEBGSA-N 2 1 351.332 4.146 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451277 1113263409 /nfs/dbraw/zinc/26/34/09/1113263409.db2.gz RXCFWQDHBBSMNC-OFNKIYASSA-N 2 1 352.522 4.301 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C(C)(C)c3ccccc3)CCCC2)CC1 ZINC000482635421 1113321111 /nfs/dbraw/zinc/32/11/11/1113321111.db2.gz KMUSSVIZHJWECI-IBGZPJMESA-N 2 1 358.570 4.366 20 0 FIADMP c1c2ccncc2sc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146957 1113386408 /nfs/dbraw/zinc/38/64/08/1113386408.db2.gz VVBIGWSWDXOKPM-JOCHJYFZSA-N 2 1 363.530 4.394 20 0 FIADMP c1c2ccncc2sc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146957 1113386413 /nfs/dbraw/zinc/38/64/13/1113386413.db2.gz VVBIGWSWDXOKPM-JOCHJYFZSA-N 2 1 363.530 4.394 20 0 FIADMP c1c2ccncc2sc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668146957 1113386415 /nfs/dbraw/zinc/38/64/15/1113386415.db2.gz VVBIGWSWDXOKPM-JOCHJYFZSA-N 2 1 363.530 4.394 20 0 FIADMP c1c2ccncc2sc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668146957 1113386418 /nfs/dbraw/zinc/38/64/18/1113386418.db2.gz VVBIGWSWDXOKPM-JOCHJYFZSA-N 2 1 363.530 4.394 20 0 FIADMP Cc1sc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)nc1C(C)C ZINC000482877821 1113387545 /nfs/dbraw/zinc/38/75/45/1113387545.db2.gz SDXWGOGKJZBCRE-HNNXBMFYSA-N 2 1 361.555 4.366 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)[C@@H](C)C1 ZINC000483151687 1113455333 /nfs/dbraw/zinc/45/53/33/1113455333.db2.gz HHCVUOXTHHWUBR-BJLQDIEVSA-N 2 1 350.522 4.230 20 0 FIADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Cc1cccc(Br)c1 ZINC000483220416 1113467724 /nfs/dbraw/zinc/46/77/24/1113467724.db2.gz WUEXXPPPWAGLJF-VKJFTORMSA-N 2 1 353.348 4.090 20 0 FIADMP C[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708703 1113627096 /nfs/dbraw/zinc/62/70/96/1113627096.db2.gz KDCLBLUVLKJJPN-LPHOPBHVSA-N 2 1 351.469 4.307 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713661 1113680731 /nfs/dbraw/zinc/68/07/31/1113680731.db2.gz XAIXGMZKMHSPEF-KNQAVFIVSA-N 2 1 364.533 4.215 20 0 FIADMP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488301012 1113904777 /nfs/dbraw/zinc/90/47/77/1113904777.db2.gz UXAUORQISLSHKA-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488301012 1113904778 /nfs/dbraw/zinc/90/47/78/1113904778.db2.gz UXAUORQISLSHKA-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488301012 1113904781 /nfs/dbraw/zinc/90/47/81/1113904781.db2.gz UXAUORQISLSHKA-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488301012 1113904782 /nfs/dbraw/zinc/90/47/82/1113904782.db2.gz UXAUORQISLSHKA-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@@H](C(C)C)C3)CC2)cs1 ZINC000488414863 1113927375 /nfs/dbraw/zinc/92/73/75/1113927375.db2.gz RMXSKGZCHWKOBJ-SJLPKXTDSA-N 2 1 367.628 4.037 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)c(F)c1 ZINC000489579227 1114134868 /nfs/dbraw/zinc/13/48/68/1114134868.db2.gz BRJJADANYVXJTJ-GFCCVEGCSA-N 2 1 355.295 4.113 20 0 FIADMP COc1c(C)cnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000491028632 1114363390 /nfs/dbraw/zinc/36/33/90/1114363390.db2.gz OCLZQKFDLDKNGF-UHFFFAOYSA-N 2 1 367.537 4.051 20 0 FIADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cncc(Br)c1 ZINC000571897897 1114544507 /nfs/dbraw/zinc/54/45/07/1114544507.db2.gz YVYLGHCSUPYYOX-AWEZNQCLSA-N 2 1 354.336 4.149 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cncc(Br)c1 ZINC000571897897 1114544510 /nfs/dbraw/zinc/54/45/10/1114544510.db2.gz YVYLGHCSUPYYOX-AWEZNQCLSA-N 2 1 354.336 4.149 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cncc(Br)c1 ZINC000571897897 1114544515 /nfs/dbraw/zinc/54/45/15/1114544515.db2.gz YVYLGHCSUPYYOX-AWEZNQCLSA-N 2 1 354.336 4.149 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686303 1114599097 /nfs/dbraw/zinc/59/90/97/1114599097.db2.gz COIXBOWPOLILHN-SFTDATJTSA-N 2 1 360.929 4.120 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686303 1114599099 /nfs/dbraw/zinc/59/90/99/1114599099.db2.gz COIXBOWPOLILHN-SFTDATJTSA-N 2 1 360.929 4.120 20 0 FIADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710755 1114602010 /nfs/dbraw/zinc/60/20/10/1114602010.db2.gz LARARRYYLMKYRW-BBWFWOEESA-N 2 1 350.934 4.222 20 0 FIADMP COc1ccc(Br)cc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000589836150 1114847095 /nfs/dbraw/zinc/84/70/95/1114847095.db2.gz HLERECGZZDPKQJ-HNNXBMFYSA-N 2 1 369.347 4.059 20 0 FIADMP CCCc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000590011789 1114873888 /nfs/dbraw/zinc/87/38/88/1114873888.db2.gz JKWSFLUADCSLME-UHFFFAOYSA-N 2 1 357.567 4.440 20 0 FIADMP CCCc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000590011789 1114873889 /nfs/dbraw/zinc/87/38/89/1114873889.db2.gz JKWSFLUADCSLME-UHFFFAOYSA-N 2 1 357.567 4.440 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000590787216 1114974133 /nfs/dbraw/zinc/97/41/33/1114974133.db2.gz VHROYIPFSDZJAW-UHFFFAOYSA-N 2 1 366.933 4.054 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786737 1114974694 /nfs/dbraw/zinc/97/46/94/1114974694.db2.gz KSVSMNXEOJRWAB-LJQANCHMSA-N 2 1 373.585 4.498 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cncc(Br)c1 ZINC000573021627 1115000067 /nfs/dbraw/zinc/00/00/67/1115000067.db2.gz GGHNQVSOXWHSTI-CQSZACIVSA-N 2 1 366.347 4.292 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)cc1 ZINC000093947696 1115026766 /nfs/dbraw/zinc/02/67/66/1115026766.db2.gz JOIGCYFOSDHJET-SFHVURJKSA-N 2 1 368.569 4.382 20 0 FIADMP Cc1ccncc1CCC[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573725764 1115178090 /nfs/dbraw/zinc/17/80/90/1115178090.db2.gz NTLFNMQDYLDYCM-UNMCSNQZSA-N 2 1 351.538 4.213 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000573867864 1115192963 /nfs/dbraw/zinc/19/29/63/1115192963.db2.gz JYQPPULGFZCSFY-IEIRFRATSA-N 2 1 367.537 4.326 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919437 1115196187 /nfs/dbraw/zinc/19/61/87/1115196187.db2.gz LBDAYRPOABVDJV-VQTJNVASSA-N 2 1 356.579 4.307 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CC34CCSCC4)CC23CC3)cc1 ZINC000573919437 1115196190 /nfs/dbraw/zinc/19/61/90/1115196190.db2.gz LBDAYRPOABVDJV-VQTJNVASSA-N 2 1 356.579 4.307 20 0 FIADMP Cc1cccc2nc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cn21 ZINC000534228176 1116173919 /nfs/dbraw/zinc/17/39/19/1116173919.db2.gz GATLKGLKANUDHQ-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955632 1116255833 /nfs/dbraw/zinc/25/58/33/1116255833.db2.gz XSPMUCXGCATDDN-QGZVFWFLSA-N 2 1 361.917 4.198 20 0 FIADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955632 1116255836 /nfs/dbraw/zinc/25/58/36/1116255836.db2.gz XSPMUCXGCATDDN-QGZVFWFLSA-N 2 1 361.917 4.198 20 0 FIADMP C[NH+]1CCC([C@@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)C2)CC1 ZINC000535159672 1116275353 /nfs/dbraw/zinc/27/53/53/1116275353.db2.gz GQJBZBOECOZLGB-OAHLLOKOSA-N 2 1 374.326 4.165 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000535232337 1116283618 /nfs/dbraw/zinc/28/36/18/1116283618.db2.gz DEMIWMLGIXJRQR-GOSISDBHSA-N 2 1 370.562 4.482 20 0 FIADMP CCN(Cc1cc(OC)cc(C)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535286136 1116290362 /nfs/dbraw/zinc/29/03/62/1116290362.db2.gz YONXTHZMBJKOJH-RXVVDRJESA-N 2 1 353.510 4.056 20 0 FIADMP CCN(Cc1cc(OC)cc(C)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535286137 1116290471 /nfs/dbraw/zinc/29/04/71/1116290471.db2.gz YONXTHZMBJKOJH-WIYYLYMNSA-N 2 1 353.510 4.056 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577552 1116347340 /nfs/dbraw/zinc/34/73/40/1116347340.db2.gz RVMQMONLAAOIJO-MSOLQXFVSA-N 2 1 351.416 4.478 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577552 1116347342 /nfs/dbraw/zinc/34/73/42/1116347342.db2.gz RVMQMONLAAOIJO-MSOLQXFVSA-N 2 1 351.416 4.478 20 0 FIADMP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000539682151 1116364130 /nfs/dbraw/zinc/36/41/30/1116364130.db2.gz JCHIDOGGFMNFLC-VXKWHMMOSA-N 2 1 362.533 4.016 20 0 FIADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(OC)c1 ZINC000539839585 1116386691 /nfs/dbraw/zinc/38/66/91/1116386691.db2.gz SHDQZLOVNSAPFW-UHFFFAOYSA-N 2 1 368.521 4.048 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000539831490 1116388233 /nfs/dbraw/zinc/38/82/33/1116388233.db2.gz IMVZEBJJCAWQBB-GCJKJVERSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000539831490 1116388235 /nfs/dbraw/zinc/38/82/35/1116388235.db2.gz IMVZEBJJCAWQBB-GCJKJVERSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831490 1116388237 /nfs/dbraw/zinc/38/82/37/1116388237.db2.gz IMVZEBJJCAWQBB-GCJKJVERSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831490 1116388239 /nfs/dbraw/zinc/38/82/39/1116388239.db2.gz IMVZEBJJCAWQBB-GCJKJVERSA-N 2 1 350.506 4.106 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000462673995 1116390909 /nfs/dbraw/zinc/39/09/09/1116390909.db2.gz ISFFRUWOAFSEDA-MRXNPFEDSA-N 2 1 360.933 4.046 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000462748145 1117750566 /nfs/dbraw/zinc/75/05/66/1117750566.db2.gz GYUNDBDNYGXNKM-ZDUSSCGKSA-N 2 1 359.739 4.313 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000462748145 1117750571 /nfs/dbraw/zinc/75/05/71/1117750571.db2.gz GYUNDBDNYGXNKM-ZDUSSCGKSA-N 2 1 359.739 4.313 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000462790287 1117773890 /nfs/dbraw/zinc/77/38/90/1117773890.db2.gz SXPPBUXRCRCGEI-KJXAQDMKSA-N 2 1 356.554 4.144 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000462810206 1117779978 /nfs/dbraw/zinc/77/99/78/1117779978.db2.gz ZNMIXYFXVAPOTJ-ZPMCFJSWSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000462810206 1117779980 /nfs/dbraw/zinc/77/99/80/1117779980.db2.gz ZNMIXYFXVAPOTJ-ZPMCFJSWSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462845978 1117816600 /nfs/dbraw/zinc/81/66/00/1117816600.db2.gz SEVLFLZJSUQRQR-QLBRKBSLSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462845978 1117816606 /nfs/dbraw/zinc/81/66/06/1117816606.db2.gz SEVLFLZJSUQRQR-QLBRKBSLSA-N 2 1 364.533 4.407 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000462882114 1117837441 /nfs/dbraw/zinc/83/74/41/1117837441.db2.gz FLYHPYHIUHEZEK-QHCPKHFHSA-N 2 1 350.506 4.332 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148152 1117899287 /nfs/dbraw/zinc/89/92/87/1117899287.db2.gz VILYTMKDEJUNEX-QFBILLFUSA-N 2 1 372.475 4.351 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000540148152 1117899295 /nfs/dbraw/zinc/89/92/95/1117899295.db2.gz VILYTMKDEJUNEX-QFBILLFUSA-N 2 1 372.475 4.351 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3ccccc32)[C@@H](C)C1 ZINC000540169452 1117912083 /nfs/dbraw/zinc/91/20/83/1117912083.db2.gz TUTMNJQGOOOFLU-WMZHIEFXSA-N 2 1 354.538 4.109 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000540170948 1117912203 /nfs/dbraw/zinc/91/22/03/1117912203.db2.gz NGLJQSCSCOHKIM-OWCLPIDISA-N 2 1 374.447 4.125 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)CC(C)C ZINC000540196136 1117935847 /nfs/dbraw/zinc/93/58/47/1117935847.db2.gz APECBRYBAUWEPS-UHFFFAOYSA-N 2 1 370.541 4.317 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)CC(C)C ZINC000540196136 1117935848 /nfs/dbraw/zinc/93/58/48/1117935848.db2.gz APECBRYBAUWEPS-UHFFFAOYSA-N 2 1 370.541 4.317 20 0 FIADMP Cc1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)ccc1F ZINC000540263814 1117963015 /nfs/dbraw/zinc/96/30/15/1117963015.db2.gz ZXGRIBUUDRIRQX-HSZRJFAPSA-N 2 1 368.496 4.207 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC000463096080 1117963979 /nfs/dbraw/zinc/96/39/79/1117963979.db2.gz GPQJYQDSMDRRMS-FQEVSTJZSA-N 2 1 356.558 4.179 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1Cc1ccccc1 ZINC000463106908 1117967109 /nfs/dbraw/zinc/96/71/09/1117967109.db2.gz BRNONAJCSCEKSD-XMSQKQJNSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000463106908 1117967111 /nfs/dbraw/zinc/96/71/11/1117967111.db2.gz BRNONAJCSCEKSD-XMSQKQJNSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000463106908 1117967113 /nfs/dbraw/zinc/96/71/13/1117967113.db2.gz BRNONAJCSCEKSD-XMSQKQJNSA-N 2 1 365.521 4.013 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000463114396 1117970119 /nfs/dbraw/zinc/97/01/19/1117970119.db2.gz SJFXPKOTOYQYKN-JOCHJYFZSA-N 2 1 356.460 4.249 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463144472 1117981617 /nfs/dbraw/zinc/98/16/17/1117981617.db2.gz KFSSIIRXFJCFMY-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000463144472 1117981619 /nfs/dbraw/zinc/98/16/19/1117981619.db2.gz KFSSIIRXFJCFMY-MSOLQXFVSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132484 1117983398 /nfs/dbraw/zinc/98/33/98/1117983398.db2.gz PFEYZVWFMJUXIX-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132484 1117983399 /nfs/dbraw/zinc/98/33/99/1117983399.db2.gz PFEYZVWFMJUXIX-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000540354098 1117998352 /nfs/dbraw/zinc/99/83/52/1117998352.db2.gz LETHXBGDORHPLX-NQIIRXRSSA-N 2 1 353.510 4.186 20 0 FIADMP CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463188747 1118006714 /nfs/dbraw/zinc/00/67/14/1118006714.db2.gz HUEJLTXBXVFHHX-SFTDATJTSA-N 2 1 364.574 4.487 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463189283 1118017864 /nfs/dbraw/zinc/01/78/64/1118017864.db2.gz GURNHMPGKMHQNR-DENIHFKCSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463189283 1118017870 /nfs/dbraw/zinc/01/78/70/1118017870.db2.gz GURNHMPGKMHQNR-DENIHFKCSA-N 2 1 356.554 4.369 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463204029 1118018921 /nfs/dbraw/zinc/01/89/21/1118018921.db2.gz IDCIGBCOQZDPIU-SBHAEUEKSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463204029 1118018928 /nfs/dbraw/zinc/01/89/28/1118018928.db2.gz IDCIGBCOQZDPIU-SBHAEUEKSA-N 2 1 368.521 4.105 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000463239845 1118048451 /nfs/dbraw/zinc/04/84/51/1118048451.db2.gz BZCYWDLPYDVGTG-UHFFFAOYSA-N 2 1 351.469 4.104 20 0 FIADMP CCO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251292 1118060580 /nfs/dbraw/zinc/06/05/80/1118060580.db2.gz CZEDDWIOJVOGTB-AJSBUHFISA-N 2 1 352.522 4.407 20 0 FIADMP CCO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251292 1118060586 /nfs/dbraw/zinc/06/05/86/1118060586.db2.gz CZEDDWIOJVOGTB-AJSBUHFISA-N 2 1 352.522 4.407 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463284165 1118070678 /nfs/dbraw/zinc/07/06/78/1118070678.db2.gz VCTWDTXQTWMXIO-NQIIRXRSSA-N 2 1 365.521 4.156 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463284165 1118070682 /nfs/dbraw/zinc/07/06/82/1118070682.db2.gz VCTWDTXQTWMXIO-NQIIRXRSSA-N 2 1 365.521 4.156 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463273470 1118073956 /nfs/dbraw/zinc/07/39/56/1118073956.db2.gz LKRHLFGGSRUSTA-GDKQOWJMSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463273470 1118073960 /nfs/dbraw/zinc/07/39/60/1118073960.db2.gz LKRHLFGGSRUSTA-GDKQOWJMSA-N 2 1 364.533 4.407 20 0 FIADMP Clc1ccc(COCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463276592 1118075238 /nfs/dbraw/zinc/07/52/38/1118075238.db2.gz YVZQZPTZTSOVAP-UHFFFAOYSA-N 2 1 372.940 4.153 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CCN1Cc1ccccc1 ZINC000540482645 1118082071 /nfs/dbraw/zinc/08/20/71/1118082071.db2.gz AXFIFSDFLDTXFF-RXVVDRJESA-N 2 1 362.521 4.058 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000540482645 1118082073 /nfs/dbraw/zinc/08/20/73/1118082073.db2.gz AXFIFSDFLDTXFF-RXVVDRJESA-N 2 1 362.521 4.058 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000540482645 1118082077 /nfs/dbraw/zinc/08/20/77/1118082077.db2.gz AXFIFSDFLDTXFF-RXVVDRJESA-N 2 1 362.521 4.058 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000540982266 1118336831 /nfs/dbraw/zinc/33/68/31/1118336831.db2.gz VPKIGGDWARLZCJ-AWEZNQCLSA-N 2 1 352.400 4.349 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000540982266 1118336834 /nfs/dbraw/zinc/33/68/34/1118336834.db2.gz VPKIGGDWARLZCJ-AWEZNQCLSA-N 2 1 352.400 4.349 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000540988118 1118339999 /nfs/dbraw/zinc/33/99/99/1118339999.db2.gz GKEMNGJJZGSXCX-ZEQRLZLVSA-N 2 1 364.533 4.274 20 0 FIADMP CCCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000540990144 1118340583 /nfs/dbraw/zinc/34/05/83/1118340583.db2.gz DOHYCVOUZAJYIY-CYFREDJKSA-N 2 1 366.549 4.447 20 0 FIADMP CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540992652 1118341811 /nfs/dbraw/zinc/34/18/11/1118341811.db2.gz YIULYTOEUVHGRV-YLJYHZDGSA-N 2 1 370.562 4.216 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cn1 ZINC000491316103 1118479558 /nfs/dbraw/zinc/47/95/58/1118479558.db2.gz KBBKSPDDPMCVBN-FVJLSDCUSA-N 2 1 371.500 4.071 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541350256 1118483247 /nfs/dbraw/zinc/48/32/47/1118483247.db2.gz VVYFZWFVUNLSEJ-AZUAARDMSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541350256 1118483251 /nfs/dbraw/zinc/48/32/51/1118483251.db2.gz VVYFZWFVUNLSEJ-AZUAARDMSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350256 1118483253 /nfs/dbraw/zinc/48/32/53/1118483253.db2.gz VVYFZWFVUNLSEJ-AZUAARDMSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350256 1118483255 /nfs/dbraw/zinc/48/32/55/1118483255.db2.gz VVYFZWFVUNLSEJ-AZUAARDMSA-N 2 1 360.542 4.093 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000541543936 1118549494 /nfs/dbraw/zinc/54/94/94/1118549494.db2.gz MXJCKWVQFCRKGH-HXUWFJFHSA-N 2 1 356.420 4.024 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000541738766 1118627536 /nfs/dbraw/zinc/62/75/36/1118627536.db2.gz OYIGZMXYUSVTNM-UMSONDCASA-N 2 1 369.578 4.445 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)(C)c1ccccc1 ZINC000541915165 1118706553 /nfs/dbraw/zinc/70/65/53/1118706553.db2.gz BAVGBTAOJLQHMC-AUSIDOKSSA-N 2 1 366.549 4.099 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000173299754 1119031107 /nfs/dbraw/zinc/03/11/07/1119031107.db2.gz PUVZEDCLVFFFHE-QGZVFWFLSA-N 2 1 356.535 4.092 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000173329352 1119033583 /nfs/dbraw/zinc/03/35/83/1119033583.db2.gz PTBCCKQXXYFCLL-SFHVURJKSA-N 2 1 368.521 4.327 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442500 1119040875 /nfs/dbraw/zinc/04/08/75/1119040875.db2.gz FGIXZWGISZVWON-XPIZARPCSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442500 1119040879 /nfs/dbraw/zinc/04/08/79/1119040879.db2.gz FGIXZWGISZVWON-XPIZARPCSA-N 2 1 374.550 4.499 20 0 FIADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000177306425 1119322746 /nfs/dbraw/zinc/32/27/46/1119322746.db2.gz ADCASENZKDFSTF-QFIPXVFZSA-N 2 1 365.521 4.050 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000177486657 1119332955 /nfs/dbraw/zinc/33/29/55/1119332955.db2.gz KSRGCYMHPDDLSU-HNNXBMFYSA-N 2 1 358.448 4.245 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310778962 1119343293 /nfs/dbraw/zinc/34/32/93/1119343293.db2.gz BEHBVXXYBJYVSY-AEFFLSMTSA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310778962 1119343296 /nfs/dbraw/zinc/34/32/96/1119343296.db2.gz BEHBVXXYBJYVSY-AEFFLSMTSA-N 2 1 358.913 4.349 20 0 FIADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000177969374 1119363108 /nfs/dbraw/zinc/36/31/08/1119363108.db2.gz NFHKNBBMGLMTMT-IBGZPJMESA-N 2 1 369.578 4.380 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771336 1119388742 /nfs/dbraw/zinc/38/87/42/1119388742.db2.gz GOFACDYYTCHQQF-DHJUGAMNSA-N 2 1 350.506 4.183 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311854338 1119392240 /nfs/dbraw/zinc/39/22/40/1119392240.db2.gz TVASLKLSYJPDBQ-DENIHFKCSA-N 2 1 352.522 4.474 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311854338 1119392244 /nfs/dbraw/zinc/39/22/44/1119392244.db2.gz TVASLKLSYJPDBQ-DENIHFKCSA-N 2 1 352.522 4.474 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311859754 1119392924 /nfs/dbraw/zinc/39/29/24/1119392924.db2.gz UXICNPXCASZHOC-CNNODRBYSA-N 2 1 352.522 4.126 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493884487 1119502993 /nfs/dbraw/zinc/50/29/93/1119502993.db2.gz YEJCEYWWTCUQKI-ZHNGQKSSSA-N 2 1 354.538 4.108 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000493890030 1119503554 /nfs/dbraw/zinc/50/35/54/1119503554.db2.gz ACEDHYXQKCZYIM-KRWDZBQOSA-N 2 1 362.315 4.320 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@H]1c1cccs1 ZINC000493893772 1119506909 /nfs/dbraw/zinc/50/69/09/1119506909.db2.gz IZMIJFGNFSYOLM-LCLFBYRMSA-N 2 1 370.562 4.468 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@H]1c1cccs1 ZINC000493893772 1119506915 /nfs/dbraw/zinc/50/69/15/1119506915.db2.gz IZMIJFGNFSYOLM-LCLFBYRMSA-N 2 1 370.562 4.468 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898525 1119507706 /nfs/dbraw/zinc/50/77/06/1119507706.db2.gz XAKLFNYIGCCHGJ-DENIHFKCSA-N 2 1 372.940 4.182 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898525 1119507712 /nfs/dbraw/zinc/50/77/12/1119507712.db2.gz XAKLFNYIGCCHGJ-DENIHFKCSA-N 2 1 372.940 4.182 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898528 1119507810 /nfs/dbraw/zinc/50/78/10/1119507810.db2.gz XAKLFNYIGCCHGJ-UGKGYDQZSA-N 2 1 372.940 4.182 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000493898528 1119507813 /nfs/dbraw/zinc/50/78/13/1119507813.db2.gz XAKLFNYIGCCHGJ-UGKGYDQZSA-N 2 1 372.940 4.182 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000493934908 1119511891 /nfs/dbraw/zinc/51/18/91/1119511891.db2.gz GZIBMBSDYPZAJW-KVJIRVJXSA-N 2 1 354.538 4.108 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000493937433 1119512290 /nfs/dbraw/zinc/51/22/90/1119512290.db2.gz QEEIWLXYVOVBMU-XMSQKQJNSA-N 2 1 350.506 4.195 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000152538349 1119544172 /nfs/dbraw/zinc/54/41/72/1119544172.db2.gz BPKZFAHCSVLGDD-UYAOXDASSA-N 2 1 360.505 4.358 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC5(CCCC5)C4)[C@@H]3C2)cc1 ZINC000183154132 1119566931 /nfs/dbraw/zinc/56/69/31/1119566931.db2.gz FSSFORPZGSYMIX-AFXVXQJMSA-N 2 1 368.565 4.369 20 0 FIADMP Cc1ccc(N2CCC([NH2+]CC3CCC(C(F)(F)F)CC3)CC2)[nH+]c1 ZINC000183718696 1119580664 /nfs/dbraw/zinc/58/06/64/1119580664.db2.gz BONFUFWPNNSOOP-UHFFFAOYSA-N 2 1 355.448 4.317 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185552978 1119671470 /nfs/dbraw/zinc/67/14/70/1119671470.db2.gz FCOMTCZIEPSXKJ-UHFFFAOYSA-N 2 1 354.425 4.046 20 0 FIADMP CCSc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000185623514 1119677029 /nfs/dbraw/zinc/67/70/29/1119677029.db2.gz DTBZMTNJSQMWCX-NRFANRHFSA-N 2 1 370.562 4.045 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000187281294 1119776040 /nfs/dbraw/zinc/77/60/40/1119776040.db2.gz BJDJDOMTMSDRFD-UHFFFAOYSA-N 2 1 365.521 4.254 20 0 FIADMP Cc1nc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2s1 ZINC000494294547 1119822290 /nfs/dbraw/zinc/82/22/90/1119822290.db2.gz AKHVEPNXGWIMHI-UHFFFAOYSA-N 2 1 365.546 4.401 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357616 1119849588 /nfs/dbraw/zinc/84/95/88/1119849588.db2.gz JVPCRESZJBOFLP-UNMCSNQZSA-N 2 1 374.532 4.088 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357616 1119849593 /nfs/dbraw/zinc/84/95/93/1119849593.db2.gz JVPCRESZJBOFLP-UNMCSNQZSA-N 2 1 374.532 4.088 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357613 1119854916 /nfs/dbraw/zinc/85/49/16/1119854916.db2.gz JVPCRESZJBOFLP-IFMALSPDSA-N 2 1 374.532 4.088 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467357613 1119854923 /nfs/dbraw/zinc/85/49/23/1119854923.db2.gz JVPCRESZJBOFLP-IFMALSPDSA-N 2 1 374.532 4.088 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC000191304564 1119970219 /nfs/dbraw/zinc/97/02/19/1119970219.db2.gz SHPCPYUHYMMGCA-KRWDZBQOSA-N 2 1 363.509 4.271 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1csc(Cl)c1 ZINC000191491869 1119979533 /nfs/dbraw/zinc/97/95/33/1119979533.db2.gz AEWWCYJONUAALL-RDTXWAMCSA-N 2 1 364.942 4.209 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000542500505 1120227491 /nfs/dbraw/zinc/22/74/91/1120227491.db2.gz ZGFSJQRGLHBWSF-KXBFYZLASA-N 2 1 362.439 4.147 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738063 1120299799 /nfs/dbraw/zinc/29/97/99/1120299799.db2.gz NRGQQYDDYSPTOD-IBGZPJMESA-N 2 1 371.569 4.253 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494891607 1120359192 /nfs/dbraw/zinc/35/91/92/1120359192.db2.gz QLUSPRISNMCVPB-DXIQSLLYSA-N 2 1 362.533 4.395 20 0 FIADMP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000494921801 1120379958 /nfs/dbraw/zinc/37/99/58/1120379958.db2.gz HTJUJMVGVYREGL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000494921801 1120379965 /nfs/dbraw/zinc/37/99/65/1120379965.db2.gz HTJUJMVGVYREGL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000494921801 1120379970 /nfs/dbraw/zinc/37/99/70/1120379970.db2.gz HTJUJMVGVYREGL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000494921801 1120379976 /nfs/dbraw/zinc/37/99/76/1120379976.db2.gz HTJUJMVGVYREGL-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533265 1120431075 /nfs/dbraw/zinc/43/10/75/1120431075.db2.gz KXLAJIIEBCQYKG-DOTOQJQBSA-N 2 1 370.459 4.370 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380980 1120767927 /nfs/dbraw/zinc/76/79/27/1120767927.db2.gz TXVRJVQADCGNPC-JLMWRMLUSA-N 2 1 350.506 4.183 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381315 1120768372 /nfs/dbraw/zinc/76/83/72/1120768372.db2.gz XZPRNXDFNDNJOK-BPXKWBHBSA-N 2 1 374.475 4.153 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381315 1120768377 /nfs/dbraw/zinc/76/83/77/1120768377.db2.gz XZPRNXDFNDNJOK-BPXKWBHBSA-N 2 1 374.475 4.153 20 0 FIADMP C[C@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)C[NH+]1CCCC1 ZINC000237572958 1120980044 /nfs/dbraw/zinc/98/00/44/1120980044.db2.gz UBNHAURDDQMKBG-LJQANCHMSA-N 2 1 366.553 4.047 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000315659139 1120992493 /nfs/dbraw/zinc/99/24/93/1120992493.db2.gz OKCRYKNCKTURTB-KRWDZBQOSA-N 2 1 367.331 4.127 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073754 1121107173 /nfs/dbraw/zinc/10/71/73/1121107173.db2.gz RAVDLHVHFJSGOQ-WMZOPIPTSA-N 2 1 368.550 4.225 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073754 1121107179 /nfs/dbraw/zinc/10/71/79/1121107179.db2.gz RAVDLHVHFJSGOQ-WMZOPIPTSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073754 1121107185 /nfs/dbraw/zinc/10/71/85/1121107185.db2.gz RAVDLHVHFJSGOQ-WMZOPIPTSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073754 1121107188 /nfs/dbraw/zinc/10/71/88/1121107188.db2.gz RAVDLHVHFJSGOQ-WMZOPIPTSA-N 2 1 368.550 4.225 20 0 FIADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2)s1 ZINC000542668154 1121163362 /nfs/dbraw/zinc/16/33/62/1121163362.db2.gz FRFQGTOUWIPVOE-SFHVURJKSA-N 2 1 357.567 4.093 20 0 FIADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000670272340 1121298918 /nfs/dbraw/zinc/29/89/18/1121298918.db2.gz VIQWGKNOIHFAJF-GOSISDBHSA-N 2 1 370.459 4.182 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763411227 1121579538 /nfs/dbraw/zinc/57/95/38/1121579538.db2.gz CKHWTIWTTRGGLU-LFGUQSLTSA-N 2 1 358.551 4.203 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000763411227 1121579545 /nfs/dbraw/zinc/57/95/45/1121579545.db2.gz CKHWTIWTTRGGLU-LFGUQSLTSA-N 2 1 358.551 4.203 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123460626 1121580247 /nfs/dbraw/zinc/58/02/47/1121580247.db2.gz QGOXFPZLHGMQQG-UHFFFAOYSA-N 2 1 359.558 4.111 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671744369 1121657742 /nfs/dbraw/zinc/65/77/42/1121657742.db2.gz XREYRTZERAFFRV-HNNXBMFYSA-N 2 1 353.466 4.224 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371278 1121688881 /nfs/dbraw/zinc/68/88/81/1121688881.db2.gz CJIXSNUJQPZDRR-QUCCMNQESA-N 2 1 350.506 4.401 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371037 1121689147 /nfs/dbraw/zinc/68/91/47/1121689147.db2.gz CJIXSNUJQPZDRR-ICSRJNTNSA-N 2 1 350.506 4.401 20 0 FIADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000671752427 1121734961 /nfs/dbraw/zinc/73/49/61/1121734961.db2.gz XOZUJGLQHINZPU-RFRZSCIPSA-N 2 1 366.549 4.184 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)cs1 ZINC000111397332 1121959262 /nfs/dbraw/zinc/95/92/62/1121959262.db2.gz BNECAEJVHNNJGJ-DNVCBOLYSA-N 2 1 373.566 4.424 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(F)c(F)c3)cc2)C1 ZINC000917008507 1122000344 /nfs/dbraw/zinc/00/03/44/1122000344.db2.gz KUSABSRGESQXPO-KSFYIVLOSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672368 1122078734 /nfs/dbraw/zinc/07/87/34/1122078734.db2.gz ZLBPHKBDLWLFOF-LAUBAEHRSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672368 1122078739 /nfs/dbraw/zinc/07/87/39/1122078739.db2.gz ZLBPHKBDLWLFOF-LAUBAEHRSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672368 1122078745 /nfs/dbraw/zinc/07/87/45/1122078745.db2.gz ZLBPHKBDLWLFOF-LAUBAEHRSA-N 2 1 374.960 4.407 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1 ZINC000765812762 1122103891 /nfs/dbraw/zinc/10/38/91/1122103891.db2.gz YWNHZXRSKKMZJN-BTYIYWSLSA-N 2 1 369.896 4.392 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000066960592 1122115930 /nfs/dbraw/zinc/11/59/30/1122115930.db2.gz FBQWBQNTLURPNV-INIZCTEOSA-N 2 1 365.949 4.111 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000066960592 1122115933 /nfs/dbraw/zinc/11/59/33/1122115933.db2.gz FBQWBQNTLURPNV-INIZCTEOSA-N 2 1 365.949 4.111 20 0 FIADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000623649230 1122118914 /nfs/dbraw/zinc/11/89/14/1122118914.db2.gz PHAAZRUJEWFXIC-PZJWPPBQSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000623649230 1122118917 /nfs/dbraw/zinc/11/89/17/1122118917.db2.gz PHAAZRUJEWFXIC-PZJWPPBQSA-N 2 1 351.538 4.310 20 0 FIADMP C[C@H]([NH2+]C1(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000497593056 1122301184 /nfs/dbraw/zinc/30/11/84/1122301184.db2.gz WNPKVYUKGWPVLX-FPOVZHCZSA-N 2 1 371.569 4.031 20 0 FIADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000128556196 1122342408 /nfs/dbraw/zinc/34/24/08/1122342408.db2.gz SRNMYRAMNNAJFH-LJQANCHMSA-N 2 1 371.491 4.164 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262664763 1122413295 /nfs/dbraw/zinc/41/32/95/1122413295.db2.gz ISWTVRMLBVHAOU-FGSXEWAUSA-N 2 1 365.521 4.193 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cc1 ZINC000129440325 1122601895 /nfs/dbraw/zinc/60/18/95/1122601895.db2.gz MTUGTWLKAGXJDL-GOSISDBHSA-N 2 1 371.488 4.276 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556059162 1122624651 /nfs/dbraw/zinc/62/46/51/1122624651.db2.gz UVYVUISSCYVMNF-XFQXTVEOSA-N 2 1 360.448 4.157 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556059162 1122624652 /nfs/dbraw/zinc/62/46/52/1122624652.db2.gz UVYVUISSCYVMNF-XFQXTVEOSA-N 2 1 360.448 4.157 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000556061254 1122633063 /nfs/dbraw/zinc/63/30/63/1122633063.db2.gz UCXPRJZWZGFYOA-XZOQPEGZSA-N 2 1 364.533 4.160 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000556061254 1122633066 /nfs/dbraw/zinc/63/30/66/1122633066.db2.gz UCXPRJZWZGFYOA-XZOQPEGZSA-N 2 1 364.533 4.160 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@@H]1c1ccccc1 ZINC000556082994 1122644305 /nfs/dbraw/zinc/64/43/05/1122644305.db2.gz XTGIYJOZTFULAW-LSDHHAIUSA-N 2 1 369.456 4.130 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@@H]1c1ccccc1 ZINC000556082994 1122644306 /nfs/dbraw/zinc/64/43/06/1122644306.db2.gz XTGIYJOZTFULAW-LSDHHAIUSA-N 2 1 369.456 4.130 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@@H]1c1ccccc1 ZINC000556094302 1122648178 /nfs/dbraw/zinc/64/81/78/1122648178.db2.gz WNMUSVOIXOZIFD-SIKLNZKXSA-N 2 1 351.469 4.275 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@@H]1c1ccccc1 ZINC000556094302 1122648182 /nfs/dbraw/zinc/64/81/82/1122648182.db2.gz WNMUSVOIXOZIFD-SIKLNZKXSA-N 2 1 351.469 4.275 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCC[C@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233533 1122750395 /nfs/dbraw/zinc/75/03/95/1122750395.db2.gz QJHWRGCRBSRDQZ-RJGXRXQPSA-N 2 1 368.565 4.084 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000556236300 1122753674 /nfs/dbraw/zinc/75/36/74/1122753674.db2.gz PVNGCSFLJLPQDI-MOPGFXCFSA-N 2 1 362.521 4.417 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000556236300 1122753676 /nfs/dbraw/zinc/75/36/76/1122753676.db2.gz PVNGCSFLJLPQDI-MOPGFXCFSA-N 2 1 362.521 4.417 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000130566575 1122872738 /nfs/dbraw/zinc/87/27/38/1122872738.db2.gz LIBXOPUHFLPTLA-UHFFFAOYSA-N 2 1 369.900 4.132 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000130566575 1122872744 /nfs/dbraw/zinc/87/27/44/1122872744.db2.gz LIBXOPUHFLPTLA-UHFFFAOYSA-N 2 1 369.900 4.132 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000556605597 1122996778 /nfs/dbraw/zinc/99/67/78/1122996778.db2.gz BWMLIGVFGNHEPC-QGZVFWFLSA-N 2 1 366.347 4.148 20 0 FIADMP Cc1ncsc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556868724 1123149694 /nfs/dbraw/zinc/14/96/94/1123149694.db2.gz BMLHNFLWICWXPQ-HSALFYBXSA-N 2 1 355.551 4.232 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1OC ZINC000514953088 1123151836 /nfs/dbraw/zinc/15/18/36/1123151836.db2.gz AQROWPSJBNPKQG-PMACEKPBSA-N 2 1 354.494 4.019 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1OC ZINC000514953088 1123151839 /nfs/dbraw/zinc/15/18/39/1123151839.db2.gz AQROWPSJBNPKQG-PMACEKPBSA-N 2 1 354.494 4.019 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000556872081 1123155396 /nfs/dbraw/zinc/15/53/96/1123155396.db2.gz OKNDDGLKFDNTHU-BVYCBKJFSA-N 2 1 353.510 4.017 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000556872081 1123155398 /nfs/dbraw/zinc/15/53/98/1123155398.db2.gz OKNDDGLKFDNTHU-BVYCBKJFSA-N 2 1 353.510 4.017 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000556884303 1123160860 /nfs/dbraw/zinc/16/08/60/1123160860.db2.gz BEVFGOHELKVMON-PWRODBHTSA-N 2 1 352.526 4.340 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000556884303 1123160864 /nfs/dbraw/zinc/16/08/64/1123160864.db2.gz BEVFGOHELKVMON-PWRODBHTSA-N 2 1 352.526 4.340 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000132248345 1123234987 /nfs/dbraw/zinc/23/49/87/1123234987.db2.gz ZOJCHMHEGGPVMN-GOSISDBHSA-N 2 1 361.917 4.416 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000132248345 1123234989 /nfs/dbraw/zinc/23/49/89/1123234989.db2.gz ZOJCHMHEGGPVMN-GOSISDBHSA-N 2 1 361.917 4.416 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000499103500 1123249422 /nfs/dbraw/zinc/24/94/22/1123249422.db2.gz VHVDAVMXNDNAOH-UHFFFAOYSA-N 2 1 368.525 4.213 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499138057 1123279471 /nfs/dbraw/zinc/27/94/71/1123279471.db2.gz BSNZRCCHNDHVIG-DKUWSORSSA-N 2 1 350.506 4.371 20 0 FIADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000499139831 1123281632 /nfs/dbraw/zinc/28/16/32/1123281632.db2.gz FGAOEQAKPILVBC-KOUNCHBCSA-N 2 1 365.521 4.156 20 0 FIADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000499139831 1123281640 /nfs/dbraw/zinc/28/16/40/1123281640.db2.gz FGAOEQAKPILVBC-KOUNCHBCSA-N 2 1 365.521 4.156 20 0 FIADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499145495 1123286560 /nfs/dbraw/zinc/28/65/60/1123286560.db2.gz HDYNTLWATNIGCA-ADHNFCLRSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499145495 1123286564 /nfs/dbraw/zinc/28/65/64/1123286564.db2.gz HDYNTLWATNIGCA-ADHNFCLRSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499145495 1123286565 /nfs/dbraw/zinc/28/65/65/1123286565.db2.gz HDYNTLWATNIGCA-ADHNFCLRSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144745 1123287367 /nfs/dbraw/zinc/28/73/67/1123287367.db2.gz XXLDIIADNBBAQY-PESUVLPXSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499144745 1123287369 /nfs/dbraw/zinc/28/73/69/1123287369.db2.gz XXLDIIADNBBAQY-PESUVLPXSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144745 1123287373 /nfs/dbraw/zinc/28/73/73/1123287373.db2.gz XXLDIIADNBBAQY-PESUVLPXSA-N 3 1 369.597 4.140 20 0 FIADMP Fc1ccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000499249031 1123357576 /nfs/dbraw/zinc/35/75/76/1123357576.db2.gz ZUCSQRHCKHQAGB-ACDBMABISA-N 2 1 372.459 4.129 20 0 FIADMP CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000237077636 1123593754 /nfs/dbraw/zinc/59/37/54/1123593754.db2.gz HTUVPGWDTOABBD-FPOVZHCZSA-N 2 1 374.569 4.235 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000134177122 1123600462 /nfs/dbraw/zinc/60/04/62/1123600462.db2.gz VQCOUYJDSCJEHA-UHFFFAOYSA-N 2 1 358.555 4.149 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)Nc1ccccc1 ZINC000615314851 1123988796 /nfs/dbraw/zinc/98/87/96/1123988796.db2.gz JAUCWYQIEPJIPO-OALUTQOASA-N 2 1 365.521 4.178 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000263368987 1124029826 /nfs/dbraw/zinc/02/98/26/1124029826.db2.gz XJBCYXNBYOJVKQ-UTKZUKDTSA-N 2 1 351.494 4.090 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568039 1124050282 /nfs/dbraw/zinc/05/02/82/1124050282.db2.gz YKLLDMDYGGBNPM-FQEVSTJZSA-N 2 1 365.521 4.103 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568039 1124050294 /nfs/dbraw/zinc/05/02/94/1124050294.db2.gz YKLLDMDYGGBNPM-FQEVSTJZSA-N 2 1 365.521 4.103 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568039 1124050301 /nfs/dbraw/zinc/05/03/01/1124050301.db2.gz YKLLDMDYGGBNPM-FQEVSTJZSA-N 2 1 365.521 4.103 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000081568039 1124050312 /nfs/dbraw/zinc/05/03/12/1124050312.db2.gz YKLLDMDYGGBNPM-FQEVSTJZSA-N 2 1 365.521 4.103 20 0 FIADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245636988 1124154136 /nfs/dbraw/zinc/15/41/36/1124154136.db2.gz AAABSJJGQQEPSN-BKFWDETESA-N 3 1 369.597 4.284 20 0 FIADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245636988 1124154140 /nfs/dbraw/zinc/15/41/40/1124154140.db2.gz AAABSJJGQQEPSN-BKFWDETESA-N 2 1 369.597 4.284 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650706 1124166357 /nfs/dbraw/zinc/16/63/57/1124166357.db2.gz CNHDYIIOFQGEGT-HWHRFOGPSA-N 2 1 364.533 4.499 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245749387 1124238160 /nfs/dbraw/zinc/23/81/60/1124238160.db2.gz TWHLMCTXCFZVLN-KOUNCHBCSA-N 2 1 365.521 4.154 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245749387 1124238166 /nfs/dbraw/zinc/23/81/66/1124238166.db2.gz TWHLMCTXCFZVLN-KOUNCHBCSA-N 2 1 365.521 4.154 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754474 1124241651 /nfs/dbraw/zinc/24/16/51/1124241651.db2.gz UPDBWZHKOGZTQE-BURNTYAHSA-N 2 1 369.578 4.136 20 0 FIADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542775315 1124252456 /nfs/dbraw/zinc/25/24/56/1124252456.db2.gz UCDUUKOXBMAMIZ-VMSMKEMKSA-N 2 1 363.549 4.144 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000765881158 1124326440 /nfs/dbraw/zinc/32/64/40/1124326440.db2.gz NMYMKODQZMAEFV-BTZRARBUSA-N 2 1 374.528 4.373 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000246844091 1124566340 /nfs/dbraw/zinc/56/63/40/1124566340.db2.gz CGWVNQMMIFGUCT-MDZRGWNJSA-N 2 1 370.484 4.076 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018926 1124582389 /nfs/dbraw/zinc/58/23/89/1124582389.db2.gz LRXCPYHSDMVZSG-HKUYNNGSSA-N 2 1 369.509 4.235 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc(F)cc(F)c1 ZINC000247090895 1124590006 /nfs/dbraw/zinc/59/00/06/1124590006.db2.gz PJUDUEMESNDZSF-HZPDHXFCSA-N 2 1 360.448 4.036 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cc(F)cc(F)c1 ZINC000247090895 1124590014 /nfs/dbraw/zinc/59/00/14/1124590014.db2.gz PJUDUEMESNDZSF-HZPDHXFCSA-N 2 1 360.448 4.036 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)C1 ZINC000247204580 1124598683 /nfs/dbraw/zinc/59/86/83/1124598683.db2.gz WMVSWWYAYKREHW-QAPCUYQASA-N 2 1 371.550 4.128 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168098 1124747258 /nfs/dbraw/zinc/74/72/58/1124747258.db2.gz UEIYTYBLMQVZPX-HZUJVAHNSA-N 2 1 372.534 4.253 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168098 1124747267 /nfs/dbraw/zinc/74/72/67/1124747267.db2.gz UEIYTYBLMQVZPX-HZUJVAHNSA-N 2 1 372.534 4.253 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248395278 1124759770 /nfs/dbraw/zinc/75/97/70/1124759770.db2.gz GEMFAJHZLWHZTL-NSHGMRRFSA-N 3 1 352.526 4.176 20 0 FIADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248403058 1124762665 /nfs/dbraw/zinc/76/26/65/1124762665.db2.gz OBDOUBSSFBSIHD-NSHGMRRFSA-N 2 1 360.542 4.015 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)s1 ZINC000248464589 1124774332 /nfs/dbraw/zinc/77/43/32/1124774332.db2.gz ZMGYSZQSQMRHEL-UZLBHIALSA-N 2 1 358.551 4.172 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCO2 ZINC000248992529 1124834032 /nfs/dbraw/zinc/83/40/32/1124834032.db2.gz NXBISYDTACZJTP-XWSHUIEDSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCO2 ZINC000248992529 1124834039 /nfs/dbraw/zinc/83/40/39/1124834039.db2.gz NXBISYDTACZJTP-XWSHUIEDSA-N 2 1 366.480 4.435 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000249406122 1124857670 /nfs/dbraw/zinc/85/76/70/1124857670.db2.gz WQCGBUBQRQRLEI-MNEFBYGVSA-N 2 1 370.459 4.118 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000249406122 1124857674 /nfs/dbraw/zinc/85/76/74/1124857674.db2.gz WQCGBUBQRQRLEI-MNEFBYGVSA-N 2 1 370.459 4.118 20 0 FIADMP CSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249579460 1124866445 /nfs/dbraw/zinc/86/64/45/1124866445.db2.gz NBECPCHCXZEEEX-PXNSSMCTSA-N 2 1 370.562 4.216 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C2CCC2)cc1 ZINC000249875586 1124883755 /nfs/dbraw/zinc/88/37/55/1124883755.db2.gz GVKGZISPZPPPQK-RPWUZVMVSA-N 2 1 364.533 4.193 20 0 FIADMP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000089703438 1124929371 /nfs/dbraw/zinc/92/93/71/1124929371.db2.gz UVBAYVYRNFTYPJ-YJYMSZOUSA-N 2 1 369.336 4.071 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000542942881 1124934901 /nfs/dbraw/zinc/93/49/01/1124934901.db2.gz AJPICMJVKRXZFS-UHFFFAOYSA-N 2 1 374.529 4.280 20 0 FIADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCc1cccs1 ZINC000062427114 567952218 /nfs/dbraw/zinc/95/22/18/567952218.db2.gz MFHJLPABODSMNK-SFHVURJKSA-N 2 1 374.550 4.156 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ncc(Br)cc1F ZINC000187010870 568044454 /nfs/dbraw/zinc/04/44/54/568044454.db2.gz WCQOLIVQUUFHNC-KBPBESRZSA-N 2 1 372.326 4.146 20 0 FIADMP CC(C)n1cc([C@@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119880 568224674 /nfs/dbraw/zinc/22/46/74/568224674.db2.gz LGSZXLZLMPKUCJ-WIYYLYMNSA-N 2 1 352.526 4.312 20 0 FIADMP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120164 568224949 /nfs/dbraw/zinc/22/49/49/568224949.db2.gz UUMJQEUDBRBVEO-DHIUTWEWSA-N 2 1 364.533 4.031 20 0 FIADMP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120164 568224950 /nfs/dbraw/zinc/22/49/50/568224950.db2.gz UUMJQEUDBRBVEO-DHIUTWEWSA-N 2 1 364.533 4.031 20 0 FIADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCCO1 ZINC000432876920 568478456 /nfs/dbraw/zinc/47/84/56/568478456.db2.gz HQXJVOCOEPCXSB-AWEZNQCLSA-N 2 1 367.415 4.166 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165437 568593829 /nfs/dbraw/zinc/59/38/29/568593829.db2.gz BRFZNWCVWXGTGI-IEBWSBKVSA-N 2 1 363.427 4.273 20 0 FIADMP Cc1cccc2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857262 721012623 /nfs/dbraw/zinc/01/26/23/721012623.db2.gz BXNLDPNKXSVSFY-QGZVFWFLSA-N 2 1 363.509 4.161 20 0 FIADMP Cc1cccc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857262 721012630 /nfs/dbraw/zinc/01/26/30/721012630.db2.gz BXNLDPNKXSVSFY-QGZVFWFLSA-N 2 1 363.509 4.161 20 0 FIADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCCCC2)cc1 ZINC000765972541 1125519300 /nfs/dbraw/zinc/51/93/00/1125519300.db2.gz ALZTYGHSGLLMND-DNQXCXABSA-N 2 1 370.581 4.411 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182564277 1125560687 /nfs/dbraw/zinc/56/06/87/1125560687.db2.gz XJKOGPALSFUEKW-PMACEKPBSA-N 3 1 373.585 4.064 20 0 FIADMP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182564277 1125560693 /nfs/dbraw/zinc/56/06/93/1125560693.db2.gz XJKOGPALSFUEKW-PMACEKPBSA-N 2 1 373.585 4.064 20 0 FIADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182564277 1125560701 /nfs/dbraw/zinc/56/07/01/1125560701.db2.gz XJKOGPALSFUEKW-PMACEKPBSA-N 2 1 373.585 4.064 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000557263590 1079659168 /nfs/dbraw/zinc/65/91/68/1079659168.db2.gz XKTPMAYQYFKVMD-PBFPGSCMSA-N 2 1 362.315 4.428 20 0 FIADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000065737261 1079960605 /nfs/dbraw/zinc/96/06/05/1079960605.db2.gz USQBJBSPXOJWGJ-UHFFFAOYSA-N 2 1 368.525 4.375 20 0 FIADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000065737261 1079960611 /nfs/dbraw/zinc/96/06/11/1079960611.db2.gz USQBJBSPXOJWGJ-UHFFFAOYSA-N 2 1 368.525 4.375 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000683224741 1080040693 /nfs/dbraw/zinc/04/06/93/1080040693.db2.gz QHMKOVASNJPQJO-UHFFFAOYSA-N 2 1 368.481 4.021 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000683224741 1080040701 /nfs/dbraw/zinc/04/07/01/1080040701.db2.gz QHMKOVASNJPQJO-UHFFFAOYSA-N 2 1 368.481 4.021 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCC(c2ccccc2)CC1 ZINC000547743965 1080373698 /nfs/dbraw/zinc/37/36/98/1080373698.db2.gz DBHUTXHPHSIVKV-RIYCBMTJSA-N 2 1 356.554 4.144 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180242171 1080469999 /nfs/dbraw/zinc/46/99/99/1080469999.db2.gz BPXNIVOBKLPYJF-UHFFFAOYSA-N 2 1 366.549 4.298 20 0 FIADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1sc2ccccc2c1Br ZINC001206811589 1080504628 /nfs/dbraw/zinc/50/46/28/1080504628.db2.gz WDZPAMGOGCHWIG-VXGBXAGGSA-N 2 1 353.329 4.223 20 0 FIADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1sc2ccccc2c1Br ZINC001206811589 1080504633 /nfs/dbraw/zinc/50/46/33/1080504633.db2.gz WDZPAMGOGCHWIG-VXGBXAGGSA-N 2 1 353.329 4.223 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4cc(C)ccc4C[C@@H]3C)CC2)oc1C ZINC000180524353 1080509508 /nfs/dbraw/zinc/50/95/08/1080509508.db2.gz NIJRDRYBMWGWQZ-HJPURHCSSA-N 2 1 367.537 4.335 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000180641413 1080531755 /nfs/dbraw/zinc/53/17/55/1080531755.db2.gz INDRUXXDXQPIQO-LEWJYISDSA-N 2 1 358.913 4.148 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069617 1080580264 /nfs/dbraw/zinc/58/02/64/1080580264.db2.gz UZTIVSBMEHIAJC-FIKGOQFSSA-N 2 1 351.494 4.072 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069617 1080580274 /nfs/dbraw/zinc/58/02/74/1080580274.db2.gz UZTIVSBMEHIAJC-FIKGOQFSSA-N 2 1 351.494 4.072 20 0 FIADMP Clc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC001203388784 1080779362 /nfs/dbraw/zinc/77/93/62/1080779362.db2.gz OJLKMALGAZUAMR-UHFFFAOYSA-N 2 1 371.352 4.318 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000137568409 1080983302 /nfs/dbraw/zinc/98/33/02/1080983302.db2.gz GYNYUCMUHSLYMX-OAQYLSRUSA-N 2 1 371.569 4.281 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000579914096 1080987229 /nfs/dbraw/zinc/98/72/29/1080987229.db2.gz PPPAJWVYMWYOMK-IPMKNSEASA-N 2 1 372.582 4.010 20 0 FIADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000579914096 1080987232 /nfs/dbraw/zinc/98/72/32/1080987232.db2.gz PPPAJWVYMWYOMK-IPMKNSEASA-N 2 1 372.582 4.010 20 0 FIADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cc1Cl ZINC000655773346 1081183476 /nfs/dbraw/zinc/18/34/76/1081183476.db2.gz WOAPNSSIGOSURI-XLIONFOSSA-N 2 1 366.908 4.163 20 0 FIADMP CCC(C)(C)c1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001167298194 1081189700 /nfs/dbraw/zinc/18/97/00/1081189700.db2.gz HLFHCACSHCSWFL-OYRHEFFESA-N 2 1 371.613 4.365 20 0 FIADMP CCC(C)(C)c1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001167298194 1081189702 /nfs/dbraw/zinc/18/97/02/1081189702.db2.gz HLFHCACSHCSWFL-OYRHEFFESA-N 2 1 371.613 4.365 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000655788982 1081201701 /nfs/dbraw/zinc/20/17/01/1081201701.db2.gz SNAODWDQKPAEEJ-FKBYEOEOSA-N 2 1 354.538 4.121 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000655788982 1081201705 /nfs/dbraw/zinc/20/17/05/1081201705.db2.gz SNAODWDQKPAEEJ-FKBYEOEOSA-N 2 1 354.538 4.121 20 0 FIADMP FC(F)(F)Oc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000655820805 1081232186 /nfs/dbraw/zinc/23/21/86/1081232186.db2.gz LYBTVNYICCQRNX-DLBZAZTESA-N 2 1 368.443 4.223 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000121690689 1081248717 /nfs/dbraw/zinc/24/87/17/1081248717.db2.gz DZTSLZPKOYANGD-IEGUWTFLSA-N 2 1 365.521 4.349 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000121690689 1081248719 /nfs/dbraw/zinc/24/87/19/1081248719.db2.gz DZTSLZPKOYANGD-IEGUWTFLSA-N 2 1 365.521 4.349 20 0 FIADMP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000579986271 1081371254 /nfs/dbraw/zinc/37/12/54/1081371254.db2.gz XNFHXIZNXJDNHG-ZXHYAQOVSA-N 2 1 365.565 4.411 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5cccnc54)C[C@H]3C2)cc1 ZINC000312614225 1081459503 /nfs/dbraw/zinc/45/95/03/1081459503.db2.gz GEBXRVCSAWITEM-JTHBVZDNSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)cc1 ZINC000312614225 1081459505 /nfs/dbraw/zinc/45/95/05/1081459505.db2.gz GEBXRVCSAWITEM-JTHBVZDNSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)cc1 ZINC000312614225 1081459507 /nfs/dbraw/zinc/45/95/07/1081459507.db2.gz GEBXRVCSAWITEM-JTHBVZDNSA-N 2 1 357.501 4.189 20 0 FIADMP C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001167337095 1081469948 /nfs/dbraw/zinc/46/99/48/1081469948.db2.gz GZGCQRXXCLRXHP-ZTCOLXNVSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@@H]1CCCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337095 1081469951 /nfs/dbraw/zinc/46/99/51/1081469951.db2.gz GZGCQRXXCLRXHP-ZTCOLXNVSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H](O)[C@@H]1CCCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337095 1081469954 /nfs/dbraw/zinc/46/99/54/1081469954.db2.gz GZGCQRXXCLRXHP-ZTCOLXNVSA-N 2 1 366.549 4.138 20 0 FIADMP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353578 1081876609 /nfs/dbraw/zinc/87/66/09/1081876609.db2.gz KIBRCJUFMSCEBM-UWJYYQICSA-N 2 1 353.466 4.158 20 0 FIADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353578 1081876614 /nfs/dbraw/zinc/87/66/14/1081876614.db2.gz KIBRCJUFMSCEBM-UWJYYQICSA-N 2 1 353.466 4.158 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398201904 1082116120 /nfs/dbraw/zinc/11/61/20/1082116120.db2.gz PXNDEWGKKDHYMU-AUSIDOKSSA-N 2 1 352.522 4.476 20 0 FIADMP C[N@H+](CCCOCCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000580898648 1082211342 /nfs/dbraw/zinc/21/13/42/1082211342.db2.gz PNVPVGNVFHXPRL-UHFFFAOYSA-N 2 1 366.549 4.232 20 0 FIADMP C[N@@H+](CCCOCCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000580898648 1082211348 /nfs/dbraw/zinc/21/13/48/1082211348.db2.gz PNVPVGNVFHXPRL-UHFFFAOYSA-N 2 1 366.549 4.232 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)c(F)cn1 ZINC000558241369 1082390259 /nfs/dbraw/zinc/39/02/59/1082390259.db2.gz NGHVENHVHRILSP-IQUTYRLHSA-N 2 1 363.502 4.025 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430549270 1082435694 /nfs/dbraw/zinc/43/56/94/1082435694.db2.gz IHWAUFRWJKKWCA-AZUAARDMSA-N 2 1 360.505 4.099 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430549277 1082435773 /nfs/dbraw/zinc/43/57/73/1082435773.db2.gz IHWAUFRWJKKWCA-UYAOXDASSA-N 2 1 360.505 4.099 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548172569 1082577712 /nfs/dbraw/zinc/57/77/12/1082577712.db2.gz RZNJRQGCCUFRFO-UHFFFAOYSA-N 2 1 367.537 4.309 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1Oc1cccnc1 ZINC000581539782 1082649233 /nfs/dbraw/zinc/64/92/33/1082649233.db2.gz URMLUYGXBABDPE-QFIPXVFZSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1Oc1cccnc1 ZINC000581539782 1082649239 /nfs/dbraw/zinc/64/92/39/1082649239.db2.gz URMLUYGXBABDPE-QFIPXVFZSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1Oc1cccnc1 ZINC000581539782 1082649241 /nfs/dbraw/zinc/64/92/41/1082649241.db2.gz URMLUYGXBABDPE-QFIPXVFZSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1Oc1cccnc1 ZINC000581539782 1082649247 /nfs/dbraw/zinc/64/92/47/1082649247.db2.gz URMLUYGXBABDPE-QFIPXVFZSA-N 2 1 351.494 4.100 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000510434807 1082701927 /nfs/dbraw/zinc/70/19/27/1082701927.db2.gz GWBVXVIDUOJPEA-OAHLLOKOSA-N 2 1 353.348 4.359 20 0 FIADMP FC(F)C1CC[NH+](Cc2cncc(C[NH+]3CCC(C(F)F)CC3)c2)CC1 ZINC000581648273 1082744107 /nfs/dbraw/zinc/74/41/07/1082744107.db2.gz KBSODUSPRCNIOP-UHFFFAOYSA-N 2 1 373.438 4.036 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642083 1082807240 /nfs/dbraw/zinc/80/72/40/1082807240.db2.gz URCXNLNLSTVUEP-PXNSSMCTSA-N 2 1 367.493 4.009 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642083 1082807244 /nfs/dbraw/zinc/80/72/44/1082807244.db2.gz URCXNLNLSTVUEP-PXNSSMCTSA-N 2 1 367.493 4.009 20 0 FIADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884026 1082971310 /nfs/dbraw/zinc/97/13/10/1082971310.db2.gz ODGLYAAIEWYUPT-SFTDATJTSA-N 2 1 366.553 4.275 20 0 FIADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884026 1082971312 /nfs/dbraw/zinc/97/13/12/1082971312.db2.gz ODGLYAAIEWYUPT-SFTDATJTSA-N 2 1 366.553 4.275 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789730 1082995641 /nfs/dbraw/zinc/99/56/41/1082995641.db2.gz DACVWIHIOBYXFA-XLIONFOSSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471789730 1082995646 /nfs/dbraw/zinc/99/56/46/1082995646.db2.gz DACVWIHIOBYXFA-XLIONFOSSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430758102 1083146064 /nfs/dbraw/zinc/14/60/64/1083146064.db2.gz YZBXQAQJWXFOCM-BXPDPKNNSA-N 2 1 369.322 4.153 20 0 FIADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131832409 1083168214 /nfs/dbraw/zinc/16/82/14/1083168214.db2.gz YKZLTQITWUOTRI-MIGBEJBISA-N 2 1 352.469 4.214 20 0 FIADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131832409 1083168221 /nfs/dbraw/zinc/16/82/21/1083168221.db2.gz YKZLTQITWUOTRI-MIGBEJBISA-N 2 1 352.469 4.214 20 0 FIADMP Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000510739273 1083288526 /nfs/dbraw/zinc/28/85/26/1083288526.db2.gz XBLLKBYCOVIBGQ-KSZLIROESA-N 2 1 350.934 4.412 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000548427665 1083297860 /nfs/dbraw/zinc/29/78/60/1083297860.db2.gz XGNFURTYHORUTP-XJFOESAGSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCC[NH+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000548427665 1083297862 /nfs/dbraw/zinc/29/78/62/1083297862.db2.gz XGNFURTYHORUTP-XJFOESAGSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCCC[NH+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000548427665 1083297865 /nfs/dbraw/zinc/29/78/65/1083297865.db2.gz XGNFURTYHORUTP-XJFOESAGSA-N 2 1 360.386 4.312 20 0 FIADMP COC(=O)c1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)oc1C ZINC000431093256 1083334177 /nfs/dbraw/zinc/33/41/77/1083334177.db2.gz IWSVGCGHGVGIAT-INIZCTEOSA-N 2 1 370.493 4.211 20 0 FIADMP C[C@@H]([NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)c1nccn1C ZINC000658336117 1083412784 /nfs/dbraw/zinc/41/27/84/1083412784.db2.gz NQPBFHUVHRZNFK-WIYYLYMNSA-N 2 1 372.532 4.463 20 0 FIADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658339388 1083415745 /nfs/dbraw/zinc/41/57/45/1083415745.db2.gz JTTDAQOBKHZTMN-DLQXEOFGSA-N 2 1 366.549 4.184 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000510935782 1083510329 /nfs/dbraw/zinc/51/03/29/1083510329.db2.gz TUZYXQGVVUGZBY-CHWSQXEVSA-N 2 1 356.297 4.334 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000510958423 1083535899 /nfs/dbraw/zinc/53/58/99/1083535899.db2.gz CDEDDXBMBYBPJI-GOSISDBHSA-N 2 1 374.282 4.316 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000510979029 1083554582 /nfs/dbraw/zinc/55/45/82/1083554582.db2.gz USSLCSWMEUNWGO-FPDPHYFHSA-N 2 1 360.517 4.454 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808370 1083693689 /nfs/dbraw/zinc/69/36/89/1083693689.db2.gz BHNLZLRMDYRGGZ-KBXCAEBGSA-N 2 1 367.320 4.185 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808370 1083693695 /nfs/dbraw/zinc/69/36/95/1083693695.db2.gz BHNLZLRMDYRGGZ-KBXCAEBGSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808370 1083693698 /nfs/dbraw/zinc/69/36/98/1083693698.db2.gz BHNLZLRMDYRGGZ-KBXCAEBGSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@H]21 ZINC000535808370 1083693704 /nfs/dbraw/zinc/69/37/04/1083693704.db2.gz BHNLZLRMDYRGGZ-KBXCAEBGSA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2)s1 ZINC000535807965 1083693825 /nfs/dbraw/zinc/69/38/25/1083693825.db2.gz KKAUJRGCUBGBLF-HOJAQTOUSA-N 2 1 374.525 4.238 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000510993926 1083954392 /nfs/dbraw/zinc/95/43/92/1083954392.db2.gz OZNXMPFNJJDIKZ-QGZVFWFLSA-N 2 1 352.507 4.372 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCCC2)CC[N@H+]1C ZINC000537959507 1084108920 /nfs/dbraw/zinc/10/89/20/1084108920.db2.gz KCALMRIRDLESNT-YJBOKZPZSA-N 2 1 365.359 4.333 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)[C@H](C)C1 ZINC000570474953 1084178035 /nfs/dbraw/zinc/17/80/35/1084178035.db2.gz RJAXKRAGKXZCOC-OXQOHEQNSA-N 2 1 370.940 4.138 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000163300614 1084214459 /nfs/dbraw/zinc/21/44/59/1084214459.db2.gz GYHYKHRJQRIEBO-RHSMWYFYSA-N 2 1 359.514 4.258 20 0 FIADMP CCn1c2ccccc2nc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685850863 1084387052 /nfs/dbraw/zinc/38/70/52/1084387052.db2.gz KCEYPLPOQNKTLG-NHCUHLMSSA-N 2 1 374.532 4.010 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000511055048 1084447538 /nfs/dbraw/zinc/44/75/38/1084447538.db2.gz USMZQPMRWOTYFW-QGZVFWFLSA-N 2 1 362.315 4.356 20 0 FIADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143433481 1084496408 /nfs/dbraw/zinc/49/64/08/1084496408.db2.gz WPEOYQMHJQKZED-UHFFFAOYSA-N 2 1 350.812 4.012 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000472143040 1084519358 /nfs/dbraw/zinc/51/93/58/1084519358.db2.gz WKKAFPOLLFQXIA-QHCPKHFHSA-N 2 1 364.533 4.303 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657320279 1084540638 /nfs/dbraw/zinc/54/06/38/1084540638.db2.gz CDHIFTAPIFSZGP-GOSISDBHSA-N 2 1 361.493 4.254 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366245 1084750958 /nfs/dbraw/zinc/75/09/58/1084750958.db2.gz KHBWHTXLBOMYTL-QXCFHYIPSA-N 2 1 370.459 4.245 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366245 1084750962 /nfs/dbraw/zinc/75/09/62/1084750962.db2.gz KHBWHTXLBOMYTL-QXCFHYIPSA-N 2 1 370.459 4.245 20 0 FIADMP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191430 1084775387 /nfs/dbraw/zinc/77/53/87/1084775387.db2.gz RWYKEDIKKRPDBM-VGOFRKELSA-N 2 1 356.485 4.245 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558351 1084798888 /nfs/dbraw/zinc/79/88/88/1084798888.db2.gz MIMGUDWVEKPXQQ-BEFAXECRSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558351 1084798894 /nfs/dbraw/zinc/79/88/94/1084798894.db2.gz MIMGUDWVEKPXQQ-BEFAXECRSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558351 1084798897 /nfs/dbraw/zinc/79/88/97/1084798897.db2.gz MIMGUDWVEKPXQQ-BEFAXECRSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558351 1084798901 /nfs/dbraw/zinc/79/89/01/1084798901.db2.gz MIMGUDWVEKPXQQ-BEFAXECRSA-N 2 1 365.359 4.490 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387169 1084846085 /nfs/dbraw/zinc/84/60/85/1084846085.db2.gz SFUNBFPNUKDIKO-OXQOHEQNSA-N 2 1 351.519 4.297 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387169 1084846089 /nfs/dbraw/zinc/84/60/89/1084846089.db2.gz SFUNBFPNUKDIKO-OXQOHEQNSA-N 2 1 351.519 4.297 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534915 1084901261 /nfs/dbraw/zinc/90/12/61/1084901261.db2.gz DLIWFRZXCCWGLX-STQMWFEESA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534915 1084901264 /nfs/dbraw/zinc/90/12/64/1084901264.db2.gz DLIWFRZXCCWGLX-STQMWFEESA-N 2 1 351.288 4.188 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534915 1084901267 /nfs/dbraw/zinc/90/12/67/1084901267.db2.gz DLIWFRZXCCWGLX-STQMWFEESA-N 2 1 351.288 4.188 20 0 FIADMP c1n[nH]cc1[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000158160532 1084928915 /nfs/dbraw/zinc/92/89/15/1084928915.db2.gz IBVHCQJHTOVXGA-NHCUHLMSSA-N 2 1 370.545 4.057 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001167572895 1084985642 /nfs/dbraw/zinc/98/56/42/1084985642.db2.gz RBXYNYQPXKJPCL-XUZZJYLKSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCN(C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167572895 1084985647 /nfs/dbraw/zinc/98/56/47/1084985647.db2.gz RBXYNYQPXKJPCL-XUZZJYLKSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572895 1084985649 /nfs/dbraw/zinc/98/56/49/1084985649.db2.gz RBXYNYQPXKJPCL-XUZZJYLKSA-N 2 1 365.565 4.498 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCCN(C)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001167572895 1084985653 /nfs/dbraw/zinc/98/56/53/1084985653.db2.gz RBXYNYQPXKJPCL-XUZZJYLKSA-N 2 1 365.565 4.498 20 0 FIADMP COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486516 1085063295 /nfs/dbraw/zinc/06/32/95/1085063295.db2.gz MMTBVBQFADEVRA-SFTDATJTSA-N 2 1 368.521 4.014 20 0 FIADMP COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486516 1085063303 /nfs/dbraw/zinc/06/33/03/1085063303.db2.gz MMTBVBQFADEVRA-SFTDATJTSA-N 2 1 368.521 4.014 20 0 FIADMP CO[C@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000549065106 1085067697 /nfs/dbraw/zinc/06/76/97/1085067697.db2.gz HZKAGCTVYCNFMN-JOCHJYFZSA-N 2 1 353.510 4.008 20 0 FIADMP Cn1cnc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000660765243 1085260035 /nfs/dbraw/zinc/26/00/35/1085260035.db2.gz UWMDBXJIEWILKE-QHCPKHFHSA-N 2 1 366.553 4.077 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001167601287 1085413175 /nfs/dbraw/zinc/41/31/75/1085413175.db2.gz APJGDNIVZNYRME-SFHVURJKSA-N 2 1 368.949 4.060 20 0 FIADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000651865083 1085577772 /nfs/dbraw/zinc/57/77/72/1085577772.db2.gz MWYBVAVLIKSHCP-UHFFFAOYSA-N 2 1 369.557 4.128 20 0 FIADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000651865083 1085577785 /nfs/dbraw/zinc/57/77/85/1085577785.db2.gz MWYBVAVLIKSHCP-UHFFFAOYSA-N 2 1 369.557 4.128 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000582757829 1085679800 /nfs/dbraw/zinc/67/98/00/1085679800.db2.gz WAPHWCVBNZZKAF-MTLXSTRDSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000582757829 1085679803 /nfs/dbraw/zinc/67/98/03/1085679803.db2.gz WAPHWCVBNZZKAF-MTLXSTRDSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000582757829 1085679808 /nfs/dbraw/zinc/67/98/08/1085679808.db2.gz WAPHWCVBNZZKAF-MTLXSTRDSA-N 2 1 350.453 4.107 20 0 FIADMP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]c2ccc(Br)cc21 ZINC001167625553 1085809716 /nfs/dbraw/zinc/80/97/16/1085809716.db2.gz UYLMFKBIYNWFGW-UHFFFAOYSA-N 2 1 362.315 4.482 20 0 FIADMP Fc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648747 1086031135 /nfs/dbraw/zinc/03/11/35/1086031135.db2.gz XPGDIAVHBJREIG-NZQKXSOJSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648747 1086031144 /nfs/dbraw/zinc/03/11/44/1086031144.db2.gz XPGDIAVHBJREIG-NZQKXSOJSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC001167648747 1086031155 /nfs/dbraw/zinc/03/11/55/1086031155.db2.gz XPGDIAVHBJREIG-NZQKXSOJSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1F ZINC001167648747 1086031165 /nfs/dbraw/zinc/03/11/65/1086031165.db2.gz XPGDIAVHBJREIG-NZQKXSOJSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648749 1086035224 /nfs/dbraw/zinc/03/52/24/1086035224.db2.gz XPGDIAVHBJREIG-REWPJTCUSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1F ZINC001167648749 1086035235 /nfs/dbraw/zinc/03/52/35/1086035235.db2.gz XPGDIAVHBJREIG-REWPJTCUSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1F ZINC001167648749 1086035245 /nfs/dbraw/zinc/03/52/45/1086035245.db2.gz XPGDIAVHBJREIG-REWPJTCUSA-N 2 1 370.487 4.494 20 0 FIADMP Fc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1F ZINC001167648749 1086035254 /nfs/dbraw/zinc/03/52/54/1086035254.db2.gz XPGDIAVHBJREIG-REWPJTCUSA-N 2 1 370.487 4.494 20 0 FIADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248445614 1086169769 /nfs/dbraw/zinc/16/97/69/1086169769.db2.gz MPUBUMZAWUXVLA-XZOQPEGZSA-N 2 1 352.522 4.274 20 0 FIADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158222 1086215874 /nfs/dbraw/zinc/21/58/74/1086215874.db2.gz UBBFIHFITFSZRQ-OAHLLOKOSA-N 2 1 353.432 4.325 20 0 FIADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158222 1086215882 /nfs/dbraw/zinc/21/58/82/1086215882.db2.gz UBBFIHFITFSZRQ-OAHLLOKOSA-N 2 1 353.432 4.325 20 0 FIADMP COc1cccc(Cl)c1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188465115 1086356742 /nfs/dbraw/zinc/35/67/42/1086356742.db2.gz CFGOQYUKMANYSB-HNNXBMFYSA-N 2 1 362.901 4.140 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1CCC[NH3+] ZINC000662313797 1086413410 /nfs/dbraw/zinc/41/34/10/1086413410.db2.gz MTSUYXPONGLIBW-XMSQKQJNSA-N 2 1 365.521 4.278 20 0 FIADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327668 1086419092 /nfs/dbraw/zinc/41/90/92/1086419092.db2.gz KMVVWMMTANGSHP-OAHLLOKOSA-N 2 1 372.944 4.471 20 0 FIADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)c1 ZINC000662399571 1086429384 /nfs/dbraw/zinc/42/93/84/1086429384.db2.gz WFTRICUEBUEVEK-KRWDZBQOSA-N 2 1 366.292 4.002 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346944 1086447733 /nfs/dbraw/zinc/44/77/33/1086447733.db2.gz YIUGVEFSBXSSLK-GOSISDBHSA-N 2 1 353.485 4.099 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346944 1086447737 /nfs/dbraw/zinc/44/77/37/1086447737.db2.gz YIUGVEFSBXSSLK-GOSISDBHSA-N 2 1 353.485 4.099 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC(C)C)c3ccccn3)CC2)oc1C ZINC000162724966 1086448865 /nfs/dbraw/zinc/44/88/65/1086448865.db2.gz WLVWIRZBDMLRLX-NRFANRHFSA-N 2 1 370.541 4.275 20 0 FIADMP C[N@H+](Cc1c(OC(F)F)ccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000561398402 1086504719 /nfs/dbraw/zinc/50/47/19/1086504719.db2.gz UPUVSYAWXWRXFW-SJPCQFCGSA-N 2 1 360.448 4.498 20 0 FIADMP C[N@@H+](Cc1c(OC(F)F)ccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000561398402 1086504732 /nfs/dbraw/zinc/50/47/32/1086504732.db2.gz UPUVSYAWXWRXFW-SJPCQFCGSA-N 2 1 360.448 4.498 20 0 FIADMP C[NH+](Cc1c(OC(F)F)ccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000561398402 1086504744 /nfs/dbraw/zinc/50/47/44/1086504744.db2.gz UPUVSYAWXWRXFW-SJPCQFCGSA-N 2 1 360.448 4.498 20 0 FIADMP C[NH+](Cc1c(OC(F)F)ccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000561398402 1086504749 /nfs/dbraw/zinc/50/47/49/1086504749.db2.gz UPUVSYAWXWRXFW-SJPCQFCGSA-N 2 1 360.448 4.498 20 0 FIADMP Cc1ccccc1-c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750130 1086552318 /nfs/dbraw/zinc/55/23/18/1086552318.db2.gz ASJVYMALVGBJKX-QFIPXVFZSA-N 2 1 350.506 4.005 20 0 FIADMP CCCCC/C(=C/c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751013 1086562733 /nfs/dbraw/zinc/56/27/33/1086562733.db2.gz MXYSINOUURXHII-FLVWFLKISA-N 2 1 356.554 4.493 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663467012 1086569406 /nfs/dbraw/zinc/56/94/06/1086569406.db2.gz CIXFMAVQVREVOC-ZBFHGGJFSA-N 2 1 368.468 4.069 20 0 FIADMP COc1cc(OC)c([C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470154 1086573384 /nfs/dbraw/zinc/57/33/84/1086573384.db2.gz SLVMTBFLJAEBOB-ZBFHGGJFSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663470154 1086573395 /nfs/dbraw/zinc/57/33/95/1086573395.db2.gz SLVMTBFLJAEBOB-ZBFHGGJFSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470154 1086573405 /nfs/dbraw/zinc/57/34/05/1086573405.db2.gz SLVMTBFLJAEBOB-ZBFHGGJFSA-N 2 1 366.933 4.130 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@H]1c1ccccc1 ZINC000583336493 1086576751 /nfs/dbraw/zinc/57/67/51/1086576751.db2.gz OTZGCMTUXWSCEH-MJGOQNOKSA-N 2 1 357.567 4.408 20 0 FIADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469979 1086576897 /nfs/dbraw/zinc/57/68/97/1086576897.db2.gz SHCQPUDPUWJRFY-ICSRJNTNSA-N 2 1 371.569 4.239 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@H]1c1ccccc1 ZINC000583336493 1086576760 /nfs/dbraw/zinc/57/67/60/1086576760.db2.gz OTZGCMTUXWSCEH-MJGOQNOKSA-N 2 1 357.567 4.408 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001167821036 1086582940 /nfs/dbraw/zinc/58/29/40/1086582940.db2.gz AAOLVCJPTRGHCW-KRWDZBQOSA-N 2 1 372.582 4.116 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000583380789 1086627888 /nfs/dbraw/zinc/62/78/88/1086627888.db2.gz DYEBUZCRHCBQHH-QFIPXVFZSA-N 3 1 355.570 4.039 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000583380789 1086627892 /nfs/dbraw/zinc/62/78/92/1086627892.db2.gz DYEBUZCRHCBQHH-QFIPXVFZSA-N 3 1 355.570 4.039 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417743 1086741549 /nfs/dbraw/zinc/74/15/49/1086741549.db2.gz OCUPKKHYLDFVPP-CVEARBPZSA-N 2 1 372.525 4.195 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417743 1086741554 /nfs/dbraw/zinc/74/15/54/1086741554.db2.gz OCUPKKHYLDFVPP-CVEARBPZSA-N 2 1 372.525 4.195 20 0 FIADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423596 1086749912 /nfs/dbraw/zinc/74/99/12/1086749912.db2.gz KWMJPWKXLJICDN-FPOVZHCZSA-N 2 1 372.578 4.431 20 0 FIADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423596 1086749918 /nfs/dbraw/zinc/74/99/18/1086749918.db2.gz KWMJPWKXLJICDN-FPOVZHCZSA-N 2 1 372.578 4.431 20 0 FIADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423598 1086750065 /nfs/dbraw/zinc/75/00/65/1086750065.db2.gz KWMJPWKXLJICDN-TZIWHRDSSA-N 2 1 372.578 4.431 20 0 FIADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423598 1086750069 /nfs/dbraw/zinc/75/00/69/1086750069.db2.gz KWMJPWKXLJICDN-TZIWHRDSSA-N 2 1 372.578 4.431 20 0 FIADMP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000432425781 1086752678 /nfs/dbraw/zinc/75/26/78/1086752678.db2.gz NPYAXAZCRNXDNI-LEHRLTEOSA-N 2 1 370.581 4.470 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)C1 ZINC000650706063 1086754342 /nfs/dbraw/zinc/75/43/42/1086754342.db2.gz CRWIZOJVOJNHGT-HLIPFELVSA-N 2 1 374.525 4.273 20 0 FIADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432430008 1086757752 /nfs/dbraw/zinc/75/77/52/1086757752.db2.gz RJRVIGFAGMOSGL-MSOLQXFVSA-N 2 1 350.572 4.339 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)C1 ZINC000650706744 1086757891 /nfs/dbraw/zinc/75/78/91/1086757891.db2.gz RRMFKVLRAHMYEY-HQRMLTQVSA-N 2 1 374.525 4.273 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3c(Cl)cccc3Cl)C2)C1 ZINC000650708693 1086767497 /nfs/dbraw/zinc/76/74/97/1086767497.db2.gz JBQZGCCPFXZOMI-CLCXKQKWSA-N 2 1 371.352 4.144 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000512146314 1086835905 /nfs/dbraw/zinc/83/59/05/1086835905.db2.gz OXSMXGSTACSRNZ-GOSISDBHSA-N 2 1 368.521 4.226 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000512146314 1086835915 /nfs/dbraw/zinc/83/59/15/1086835915.db2.gz OXSMXGSTACSRNZ-GOSISDBHSA-N 2 1 368.521 4.226 20 0 FIADMP C[N@@H+](Cc1cccc(C(F)F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000279180055 1086853751 /nfs/dbraw/zinc/85/37/51/1086853751.db2.gz BIAJDXAAAWEEFV-UHFFFAOYSA-N 2 1 359.464 4.158 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000566728745 1086990170 /nfs/dbraw/zinc/99/01/70/1086990170.db2.gz KYHHCXLCKBEIKG-LRDDRELGSA-N 2 1 371.750 4.064 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C(F)F ZINC000657826476 1087159554 /nfs/dbraw/zinc/15/95/54/1087159554.db2.gz GWCVGQSFXGLSDX-OWCLPIDISA-N 2 1 354.485 4.065 20 0 FIADMP Fc1ccc(OCc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000647328482 1087260348 /nfs/dbraw/zinc/26/03/48/1087260348.db2.gz TTZBLMODOJHAFR-UHFFFAOYSA-N 2 1 354.469 4.121 20 0 FIADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657839827 1087282329 /nfs/dbraw/zinc/28/23/29/1087282329.db2.gz HKEKBJAXYOKRPX-FHWLQOOXSA-N 2 1 365.359 4.233 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]CCCn3cc[nH+]c3C)cc2cc1OC ZINC000657844869 1087290813 /nfs/dbraw/zinc/29/08/13/1087290813.db2.gz JJWANHQEOSLZCR-OAHLLOKOSA-N 2 1 353.466 4.103 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000090576745 1087412876 /nfs/dbraw/zinc/41/28/76/1087412876.db2.gz WMYOCYQKYNEJOZ-UHFFFAOYSA-N 2 1 365.496 4.146 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000093079882 1087451823 /nfs/dbraw/zinc/45/18/23/1087451823.db2.gz CTPITWUSQKEGMP-AUSIDOKSSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000093079882 1087451826 /nfs/dbraw/zinc/45/18/26/1087451826.db2.gz CTPITWUSQKEGMP-AUSIDOKSSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470329 1087577972 /nfs/dbraw/zinc/57/79/72/1087577972.db2.gz HAJBPTGDQUCJQM-VGOFRKELSA-N 2 1 356.485 4.177 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470329 1087577977 /nfs/dbraw/zinc/57/79/77/1087577977.db2.gz HAJBPTGDQUCJQM-VGOFRKELSA-N 2 1 356.485 4.177 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470329 1087577980 /nfs/dbraw/zinc/57/79/80/1087577980.db2.gz HAJBPTGDQUCJQM-VGOFRKELSA-N 2 1 356.485 4.177 20 0 FIADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470329 1087577985 /nfs/dbraw/zinc/57/79/85/1087577985.db2.gz HAJBPTGDQUCJQM-VGOFRKELSA-N 2 1 356.485 4.177 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720461 1087622315 /nfs/dbraw/zinc/62/23/15/1087622315.db2.gz MSZNWCUQRTZMQK-UGKGYDQZSA-N 2 1 352.522 4.128 20 0 FIADMP CC[NH+](C/C=C/C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000685589919 1087634571 /nfs/dbraw/zinc/63/45/71/1087634571.db2.gz AEFZJLHSTRAIRH-RMQQFATJSA-N 2 1 366.590 4.102 20 0 FIADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000685666135 1087669696 /nfs/dbraw/zinc/66/96/96/1087669696.db2.gz ZFDZHOGHERHKBM-KRWDZBQOSA-N 2 1 351.966 4.014 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657999162 1087696239 /nfs/dbraw/zinc/69/62/39/1087696239.db2.gz SQUJQOXOMFRQFJ-SJLPKXTDSA-N 2 1 351.519 4.469 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125776 1087730868 /nfs/dbraw/zinc/73/08/68/1087730868.db2.gz CFKRPKPSBDJSBZ-WMZHIEFXSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658125776 1087730876 /nfs/dbraw/zinc/73/08/76/1087730876.db2.gz CFKRPKPSBDJSBZ-WMZHIEFXSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000548861107 1087770467 /nfs/dbraw/zinc/77/04/67/1087770467.db2.gz GYYMNLUFYOGXFK-XQBPLPMBSA-N 2 1 356.554 4.213 20 0 FIADMP [NH3+]C[C@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275447 1087908484 /nfs/dbraw/zinc/90/84/84/1087908484.db2.gz AXHFDOORZYGGJP-QAPCUYQASA-N 2 1 355.482 4.315 20 0 FIADMP [NH3+]C[C@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275447 1087908488 /nfs/dbraw/zinc/90/84/88/1087908488.db2.gz AXHFDOORZYGGJP-QAPCUYQASA-N 2 1 355.482 4.315 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424280372 1087910154 /nfs/dbraw/zinc/91/01/54/1087910154.db2.gz HEWBRGRPJNWZME-VQTJNVASSA-N 2 1 357.567 4.385 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530764 1087943631 /nfs/dbraw/zinc/94/36/31/1087943631.db2.gz DLKSIXHXIHDQME-UHFFFAOYSA-N 2 1 360.505 4.161 20 0 FIADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343559 1087953404 /nfs/dbraw/zinc/95/34/04/1087953404.db2.gz FTIAOXXFZRAASJ-LHGONGGSSA-N 2 1 356.554 4.082 20 0 FIADMP C[NH+](C/C=C\C[N@H+](C)Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000613592051 1088750129 /nfs/dbraw/zinc/75/01/29/1088750129.db2.gz ZGQQQZXHYHJLFL-ARJAWSKDSA-N 2 1 366.402 4.363 20 0 FIADMP COc1cccc(CCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434664830 1088916376 /nfs/dbraw/zinc/91/63/76/1088916376.db2.gz XKZQPGWLYLSIKL-UHFFFAOYSA-N 2 1 353.510 4.040 20 0 FIADMP COc1ccc(CN2CC[C@H](Oc3ccncc3C)C2)c(C(F)(F)F)c1 ZINC001143485525 1088967228 /nfs/dbraw/zinc/96/72/28/1088967228.db2.gz BBSRUALLGLWHFE-INIZCTEOSA-N 2 1 366.383 4.071 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000415062072 1089112453 /nfs/dbraw/zinc/11/24/53/1089112453.db2.gz ZNXKLBFGBYEXTJ-OIBXWCBGSA-N 3 1 351.538 4.109 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000415062072 1089112461 /nfs/dbraw/zinc/11/24/61/1089112461.db2.gz ZNXKLBFGBYEXTJ-OIBXWCBGSA-N 3 1 351.538 4.109 20 0 FIADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415110381 1089170696 /nfs/dbraw/zinc/17/06/96/1089170696.db2.gz SQDNKQIMKPUDBS-FSSWDIPSSA-N 2 1 366.505 4.152 20 0 FIADMP C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000415131980 1089197406 /nfs/dbraw/zinc/19/74/06/1089197406.db2.gz SWKHJKMNNAETOO-WBVHZDCISA-N 2 1 371.912 4.009 20 0 FIADMP CC(C)CCn1cccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435060904 1089249416 /nfs/dbraw/zinc/24/94/16/1089249416.db2.gz NDOTZOGKMAHZDO-UHFFFAOYSA-N 2 1 354.542 4.447 20 0 FIADMP c1ccc(C[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435391398 1089596858 /nfs/dbraw/zinc/59/68/58/1089596858.db2.gz FANKAHPXKZTXRA-DEOSSOPVSA-N 2 1 372.516 4.288 20 0 FIADMP c1ccc(C[N@H+](Cc2cccc(-c3ccncc3)c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435391398 1089596875 /nfs/dbraw/zinc/59/68/75/1089596875.db2.gz FANKAHPXKZTXRA-DEOSSOPVSA-N 2 1 372.516 4.288 20 0 FIADMP CCn1ccnc1C[N@H+](Cc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420055 1089634859 /nfs/dbraw/zinc/63/48/59/1089634859.db2.gz APXXAWLGKVWHBB-QFIPXVFZSA-N 2 1 374.532 4.201 20 0 FIADMP CCn1ccnc1C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420055 1089634869 /nfs/dbraw/zinc/63/48/69/1089634869.db2.gz APXXAWLGKVWHBB-QFIPXVFZSA-N 2 1 374.532 4.201 20 0 FIADMP c1cc(C[N@@H+](Cc2cccc3cccnc32)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427317 1089645411 /nfs/dbraw/zinc/64/54/11/1089645411.db2.gz MGWLSWWJQRARJJ-HXUWFJFHSA-N 2 1 363.530 4.441 20 0 FIADMP FC(F)(F)Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959037 1089657976 /nfs/dbraw/zinc/65/79/76/1089657976.db2.gz NMYXUJBRJUPKFT-ALOPSCKCSA-N 2 1 354.416 4.080 20 0 FIADMP FC(F)(F)Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959037 1089657983 /nfs/dbraw/zinc/65/79/83/1089657983.db2.gz NMYXUJBRJUPKFT-ALOPSCKCSA-N 2 1 354.416 4.080 20 0 FIADMP C[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435437496 1089660747 /nfs/dbraw/zinc/66/07/47/1089660747.db2.gz KWSJZMAREDVJLM-SFHVURJKSA-N 2 1 371.912 4.166 20 0 FIADMP C[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435437495 1089661469 /nfs/dbraw/zinc/66/14/69/1089661469.db2.gz KWSJZMAREDVJLM-GOSISDBHSA-N 2 1 371.912 4.166 20 0 FIADMP Cc1ncsc1C[N@@H+](Cc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000435738584 1089917475 /nfs/dbraw/zinc/91/74/75/1089917475.db2.gz STJBVEVERWEYGW-QGZVFWFLSA-N 2 1 351.519 4.216 20 0 FIADMP Cc1ncsc1C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000435738584 1089917480 /nfs/dbraw/zinc/91/74/80/1089917480.db2.gz STJBVEVERWEYGW-QGZVFWFLSA-N 2 1 351.519 4.216 20 0 FIADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC001207479930 1090543879 /nfs/dbraw/zinc/54/38/79/1090543879.db2.gz PPILKJDOOJAJQJ-GOSISDBHSA-N 2 1 351.332 4.318 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310970 1090805516 /nfs/dbraw/zinc/80/55/16/1090805516.db2.gz LELUWSLBEXWJAN-ZIBCJSCZSA-N 2 1 354.563 4.394 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000584794817 1090896806 /nfs/dbraw/zinc/89/68/06/1090896806.db2.gz QEPLIQCEDQZXFX-HBMCJLEFSA-N 2 1 358.913 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000584794817 1090896814 /nfs/dbraw/zinc/89/68/14/1090896814.db2.gz QEPLIQCEDQZXFX-HBMCJLEFSA-N 2 1 358.913 4.189 20 0 FIADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388280752 1090936675 /nfs/dbraw/zinc/93/66/75/1090936675.db2.gz QNKPKCHYYOIWOG-QGZVFWFLSA-N 2 1 364.411 4.197 20 0 FIADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388280752 1090936677 /nfs/dbraw/zinc/93/66/77/1090936677.db2.gz QNKPKCHYYOIWOG-QGZVFWFLSA-N 2 1 364.411 4.197 20 0 FIADMP Cc1cccc([C@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)c1C ZINC000500069916 1091021818 /nfs/dbraw/zinc/02/18/18/1091021818.db2.gz KZOVRDIHAPDRNT-HSZRJFAPSA-N 2 1 357.586 4.247 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098518 1091036681 /nfs/dbraw/zinc/03/66/81/1091036681.db2.gz MPKREJSHPISINB-MOPGFXCFSA-N 2 1 365.993 4.180 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000190889558 1091036749 /nfs/dbraw/zinc/03/67/49/1091036749.db2.gz FIPBVNCQUFXDRH-UHFFFAOYSA-N 2 1 350.865 4.315 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000190889558 1091036755 /nfs/dbraw/zinc/03/67/55/1091036755.db2.gz FIPBVNCQUFXDRH-UHFFFAOYSA-N 2 1 350.865 4.315 20 0 FIADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927083 1091102582 /nfs/dbraw/zinc/10/25/82/1091102582.db2.gz HVJSGFBEFZHVQP-DYQZNNLLSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927083 1091102584 /nfs/dbraw/zinc/10/25/84/1091102584.db2.gz HVJSGFBEFZHVQP-DYQZNNLLSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927083 1091102586 /nfs/dbraw/zinc/10/25/86/1091102586.db2.gz HVJSGFBEFZHVQP-DYQZNNLLSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927083 1091102587 /nfs/dbraw/zinc/10/25/87/1091102587.db2.gz HVJSGFBEFZHVQP-DYQZNNLLSA-N 2 1 357.586 4.168 20 0 FIADMP Oc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1Cl ZINC000390526581 1091182954 /nfs/dbraw/zinc/18/29/54/1091182954.db2.gz CPYRTERJXDVAPB-YQQQUEKLSA-N 2 1 356.897 4.331 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464735 1091370868 /nfs/dbraw/zinc/37/08/68/1091370868.db2.gz CYJZDMFTAFOJMX-SJLPKXTDSA-N 2 1 360.448 4.461 20 0 FIADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000500416083 1091469436 /nfs/dbraw/zinc/46/94/36/1091469436.db2.gz MWFMNIRGWZBYHN-HJUDDPQBSA-N 2 1 370.459 4.199 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1Cc1ccccc1 ZINC000590612028 1091608632 /nfs/dbraw/zinc/60/86/32/1091608632.db2.gz UZZLBNNHPILMQW-FGZHOGPDSA-N 2 1 359.517 4.406 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](C)c3ccccc3)CC2)cs1 ZINC000194450677 1091705069 /nfs/dbraw/zinc/70/50/69/1091705069.db2.gz DGIDZYKRHNRGNP-KRWDZBQOSA-N 2 1 357.567 4.311 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CSC(C)(C)C)CC2)oc1C ZINC000162751655 1091797812 /nfs/dbraw/zinc/79/78/12/1091797812.db2.gz MOMYDIMWXKLMJC-AWEZNQCLSA-N 2 1 353.576 4.013 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069332 1091811430 /nfs/dbraw/zinc/81/14/30/1091811430.db2.gz OPLBRZOCYAKNHH-VXKWHMMOSA-N 2 1 352.522 4.264 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069332 1091811436 /nfs/dbraw/zinc/81/14/36/1091811436.db2.gz OPLBRZOCYAKNHH-VXKWHMMOSA-N 2 1 352.522 4.264 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC000512195932 1091889089 /nfs/dbraw/zinc/88/90/89/1091889089.db2.gz ONIXNSXVBRGHGL-SFHVURJKSA-N 2 1 355.501 4.318 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC000512195932 1091889093 /nfs/dbraw/zinc/88/90/93/1091889093.db2.gz ONIXNSXVBRGHGL-SFHVURJKSA-N 2 1 355.501 4.318 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204505 1091909388 /nfs/dbraw/zinc/90/93/88/1091909388.db2.gz UPWKEDIKCWRUBF-QZTJIDSGSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204505 1091909389 /nfs/dbraw/zinc/90/93/89/1091909389.db2.gz UPWKEDIKCWRUBF-QZTJIDSGSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204505 1091909393 /nfs/dbraw/zinc/90/93/93/1091909393.db2.gz UPWKEDIKCWRUBF-QZTJIDSGSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204505 1091909395 /nfs/dbraw/zinc/90/93/95/1091909395.db2.gz UPWKEDIKCWRUBF-QZTJIDSGSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 ZINC000512215147 1091915746 /nfs/dbraw/zinc/91/57/46/1091915746.db2.gz VLYURKBVOBYDQF-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215147 1091915752 /nfs/dbraw/zinc/91/57/52/1091915752.db2.gz VLYURKBVOBYDQF-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215147 1091915755 /nfs/dbraw/zinc/91/57/55/1091915755.db2.gz VLYURKBVOBYDQF-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215147 1091915757 /nfs/dbraw/zinc/91/57/57/1091915757.db2.gz VLYURKBVOBYDQF-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215147 1091915758 /nfs/dbraw/zinc/91/57/58/1091915758.db2.gz VLYURKBVOBYDQF-QZTJIDSGSA-N 2 1 355.501 4.460 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc5ncccc5c4)C3)C2)cc1 ZINC000512246897 1091960265 /nfs/dbraw/zinc/96/02/65/1091960265.db2.gz VYCQAZXHRYGVDO-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc5ncccc5c4)C3)C2)cc1 ZINC000512246897 1091960266 /nfs/dbraw/zinc/96/02/66/1091960266.db2.gz VYCQAZXHRYGVDO-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc5ncccc5c4)C3)C2)cc1 ZINC000512246897 1091960269 /nfs/dbraw/zinc/96/02/69/1091960269.db2.gz VYCQAZXHRYGVDO-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)c(OC)c1 ZINC000512314229 1092032254 /nfs/dbraw/zinc/03/22/54/1092032254.db2.gz NNOLVQRNNWGTJD-QRFRQXIXSA-N 2 1 360.542 4.398 20 0 FIADMP COCc1ccc(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)o1 ZINC001279306822 1092049182 /nfs/dbraw/zinc/04/91/82/1092049182.db2.gz SHWJLBYBFHMJPF-UHFFFAOYSA-N 2 1 374.447 4.056 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000512355309 1092124759 /nfs/dbraw/zinc/12/47/59/1092124759.db2.gz VCXSKRIRNCHUOO-CTYIDZIISA-N 2 1 369.456 4.259 20 0 FIADMP Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428227631 1092261212 /nfs/dbraw/zinc/26/12/12/1092261212.db2.gz SNNVQCYBTUAVDE-CEMLEFRQSA-N 2 1 353.510 4.072 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432791881 1092380092 /nfs/dbraw/zinc/38/00/92/1092380092.db2.gz HYUDJWZIJRJOFK-IBGZPJMESA-N 2 1 374.960 4.118 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432791881 1092380103 /nfs/dbraw/zinc/38/01/03/1092380103.db2.gz HYUDJWZIJRJOFK-IBGZPJMESA-N 2 1 374.960 4.118 20 0 FIADMP Clc1ccccc1-c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)no1 ZINC000419192893 1092641858 /nfs/dbraw/zinc/64/18/58/1092641858.db2.gz TZUGHYAIHLBJPY-UHFFFAOYSA-N 2 1 359.901 4.303 20 0 FIADMP COc1c(F)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001143533476 1092700462 /nfs/dbraw/zinc/70/04/62/1092700462.db2.gz CIGIWDCLJQWVRQ-WOJBJXKFSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001143533476 1092700478 /nfs/dbraw/zinc/70/04/78/1092700478.db2.gz CIGIWDCLJQWVRQ-WOJBJXKFSA-N 2 1 368.496 4.178 20 0 FIADMP COc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001143533476 1092700488 /nfs/dbraw/zinc/70/04/88/1092700488.db2.gz CIGIWDCLJQWVRQ-WOJBJXKFSA-N 2 1 368.496 4.178 20 0 FIADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758433 1092750243 /nfs/dbraw/zinc/75/02/43/1092750243.db2.gz IMRNTRYTGRERDV-CBQGHPETSA-N 2 1 350.506 4.007 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776146 1092757148 /nfs/dbraw/zinc/75/71/48/1092757148.db2.gz GUAMTOXNGFHNER-SJORKVTESA-N 2 1 365.546 4.198 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776146 1092757153 /nfs/dbraw/zinc/75/71/53/1092757153.db2.gz GUAMTOXNGFHNER-SJORKVTESA-N 2 1 365.546 4.198 20 0 FIADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000521830262 1092933255 /nfs/dbraw/zinc/93/32/55/1092933255.db2.gz LVPCIUAKTCYYBK-JOCHJYFZSA-N 2 1 352.522 4.130 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000443099754 1092950185 /nfs/dbraw/zinc/95/01/85/1092950185.db2.gz UZWKNXUJISYUOL-GUYCJALGSA-N 2 1 358.423 4.196 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000521856025 1092951268 /nfs/dbraw/zinc/95/12/68/1092951268.db2.gz GYGUBXUCYWVMCJ-AWEZNQCLSA-N 2 1 359.420 4.372 20 0 FIADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)CC1 ZINC000512636960 1093055915 /nfs/dbraw/zinc/05/59/15/1093055915.db2.gz QEABCGVVPJVQOE-LSDVVMKASA-N 2 1 368.565 4.301 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sc1C ZINC000512666371 1093105973 /nfs/dbraw/zinc/10/59/73/1093105973.db2.gz KFBQXQHTJHVQMR-QHAWAJNXSA-N 2 1 369.578 4.193 20 0 FIADMP C[C@H]1CC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017512 1093151043 /nfs/dbraw/zinc/15/10/43/1093151043.db2.gz AVOOOVGUTFYMBP-GZEZKRSXSA-N 2 1 355.570 4.033 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000093981840 1093152376 /nfs/dbraw/zinc/15/23/76/1093152376.db2.gz YNHGVFKUOXKLRQ-UHFFFAOYSA-N 2 1 357.311 4.332 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000093981840 1093152390 /nfs/dbraw/zinc/15/23/90/1093152390.db2.gz YNHGVFKUOXKLRQ-UHFFFAOYSA-N 2 1 357.311 4.332 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC001168018189 1093163852 /nfs/dbraw/zinc/16/38/52/1093163852.db2.gz YUWUWFGINJATQU-XEMDLRDOSA-N 2 1 356.485 4.366 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC001168018189 1093163858 /nfs/dbraw/zinc/16/38/58/1093163858.db2.gz YUWUWFGINJATQU-XEMDLRDOSA-N 2 1 356.485 4.366 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC000895206586 1093172112 /nfs/dbraw/zinc/17/21/12/1093172112.db2.gz XRLZLYULCAHLBR-UHFFFAOYSA-N 2 1 369.553 4.297 20 0 FIADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512772585 1093316323 /nfs/dbraw/zinc/31/63/23/1093316323.db2.gz CDJPORCYRWCUKK-OXQOHEQNSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512772585 1093316332 /nfs/dbraw/zinc/31/63/32/1093316332.db2.gz CDJPORCYRWCUKK-OXQOHEQNSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000512772585 1093316337 /nfs/dbraw/zinc/31/63/37/1093316337.db2.gz CDJPORCYRWCUKK-OXQOHEQNSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc2cccnc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000512772585 1093316345 /nfs/dbraw/zinc/31/63/45/1093316345.db2.gz CDJPORCYRWCUKK-OXQOHEQNSA-N 2 1 355.913 4.337 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000191476704 1093392869 /nfs/dbraw/zinc/39/28/69/1093392869.db2.gz QKQXQIUVJACHJW-GOSISDBHSA-N 2 1 370.541 4.308 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000191476704 1093392881 /nfs/dbraw/zinc/39/28/81/1093392881.db2.gz QKQXQIUVJACHJW-GOSISDBHSA-N 2 1 370.541 4.308 20 0 FIADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024459 1093393589 /nfs/dbraw/zinc/39/35/89/1093393589.db2.gz GYHITWIVXDWGDC-RMFSNUHRSA-N 2 1 362.521 4.152 20 0 FIADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cnccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024459 1093393598 /nfs/dbraw/zinc/39/35/98/1093393598.db2.gz GYHITWIVXDWGDC-RMFSNUHRSA-N 2 1 362.521 4.152 20 0 FIADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cnccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024459 1093393607 /nfs/dbraw/zinc/39/36/07/1093393607.db2.gz GYHITWIVXDWGDC-RMFSNUHRSA-N 2 1 362.521 4.152 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000191499570 1093420971 /nfs/dbraw/zinc/42/09/71/1093420971.db2.gz ANDKSYXFKONYKD-KRWDZBQOSA-N 2 1 367.497 4.277 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000191499570 1093420973 /nfs/dbraw/zinc/42/09/73/1093420973.db2.gz ANDKSYXFKONYKD-KRWDZBQOSA-N 2 1 367.497 4.277 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000389141371 1093454351 /nfs/dbraw/zinc/45/43/51/1093454351.db2.gz VHIMAEBOXPJVON-ABSDTBQOSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@H](COc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026950 1093506965 /nfs/dbraw/zinc/50/69/65/1093506965.db2.gz MMIFLQIAURYSOH-XWSHUIEDSA-N 2 1 352.522 4.485 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328202 1093589354 /nfs/dbraw/zinc/58/93/54/1093589354.db2.gz CSBVZQBZEZOOQY-KRWDZBQOSA-N 2 1 364.493 4.191 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328202 1093589357 /nfs/dbraw/zinc/58/93/57/1093589357.db2.gz CSBVZQBZEZOOQY-KRWDZBQOSA-N 2 1 364.493 4.191 20 0 FIADMP Cc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001168032240 1093652560 /nfs/dbraw/zinc/65/25/60/1093652560.db2.gz GVLNLSZCGAFLHG-VTYHHJSWSA-N 2 1 363.549 4.453 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000513042933 1093689089 /nfs/dbraw/zinc/68/90/89/1093689089.db2.gz VUAKJTCVFNUPAO-GBXCKJPGSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513042933 1093689094 /nfs/dbraw/zinc/68/90/94/1093689094.db2.gz VUAKJTCVFNUPAO-GBXCKJPGSA-N 2 1 369.597 4.284 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000513052909 1093697567 /nfs/dbraw/zinc/69/75/67/1093697567.db2.gz UHINXJVCYUNDCF-AUSIDOKSSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000513052909 1093697569 /nfs/dbraw/zinc/69/75/69/1093697569.db2.gz UHINXJVCYUNDCF-AUSIDOKSSA-N 2 1 359.517 4.420 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000052120014 1093726370 /nfs/dbraw/zinc/72/63/70/1093726370.db2.gz PJTXXSMSDYCUEV-UHFFFAOYSA-N 2 1 371.488 4.142 20 0 FIADMP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000474468932 1093806598 /nfs/dbraw/zinc/80/65/98/1093806598.db2.gz FRQJFSCPWAICBZ-FQEVSTJZSA-N 2 1 351.538 4.487 20 0 FIADMP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000474465923 1093812563 /nfs/dbraw/zinc/81/25/63/1093812563.db2.gz ASTULRDXRMZKLA-LJQANCHMSA-N 2 1 351.538 4.344 20 0 FIADMP C[N@H+](Cc1ccc(Br)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513139237 1093891803 /nfs/dbraw/zinc/89/18/03/1093891803.db2.gz OCURIBMTXLVXKI-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513139237 1093891806 /nfs/dbraw/zinc/89/18/06/1093891806.db2.gz OCURIBMTXLVXKI-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP C[NH+](Cc1ccc(Br)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513139237 1093891809 /nfs/dbraw/zinc/89/18/09/1093891809.db2.gz OCURIBMTXLVXKI-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP C[NH+](Cc1ccc(Br)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513139237 1093891812 /nfs/dbraw/zinc/89/18/12/1093891812.db2.gz OCURIBMTXLVXKI-PBWFPOADSA-N 2 1 357.723 4.160 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000513232182 1094014629 /nfs/dbraw/zinc/01/46/29/1094014629.db2.gz GLWJFMKKLCBWCB-UWJYYQICSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@H+]1Cc1ccccc1 ZINC000513232182 1094014635 /nfs/dbraw/zinc/01/46/35/1094014635.db2.gz GLWJFMKKLCBWCB-UWJYYQICSA-N 2 1 365.496 4.492 20 0 FIADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000513340043 1094065655 /nfs/dbraw/zinc/06/56/55/1094065655.db2.gz GNAGGZSLMGIGDG-PMOQBDJRSA-N 2 1 351.538 4.464 20 0 FIADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000513340043 1094065661 /nfs/dbraw/zinc/06/56/61/1094065661.db2.gz GNAGGZSLMGIGDG-PMOQBDJRSA-N 2 1 351.538 4.464 20 0 FIADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000513344303 1094077613 /nfs/dbraw/zinc/07/76/13/1094077613.db2.gz ZAPUNBJTCJVFAK-UTKZUKDTSA-N 2 1 356.460 4.106 20 0 FIADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000513344303 1094077621 /nfs/dbraw/zinc/07/76/21/1094077621.db2.gz ZAPUNBJTCJVFAK-UTKZUKDTSA-N 2 1 356.460 4.106 20 0 FIADMP C[C@@H](CCN[C@H](Cc1ccccn1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000513364180 1094080624 /nfs/dbraw/zinc/08/06/24/1094080624.db2.gz GYTAHINGDZCCEB-GBXCKJPGSA-N 2 1 374.532 4.261 20 0 FIADMP C[C@@H](CC[NH2+][C@H](Cc1ccccn1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000513364180 1094080630 /nfs/dbraw/zinc/08/06/30/1094080630.db2.gz GYTAHINGDZCCEB-GBXCKJPGSA-N 2 1 374.532 4.261 20 0 FIADMP COCc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513487682 1094158327 /nfs/dbraw/zinc/15/83/27/1094158327.db2.gz IQOZTGBOZOPEIT-KNQAVFIVSA-N 2 1 352.522 4.223 20 0 FIADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513501974 1094174025 /nfs/dbraw/zinc/17/40/25/1094174025.db2.gz WEFQSXYXOKQWTE-WIYYLYMNSA-N 2 1 365.521 4.035 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]CCOc3cccc4ccccc43)CC2)cc1 ZINC000513612604 1094236568 /nfs/dbraw/zinc/23/65/68/1094236568.db2.gz DHYCTCLAXYYHOY-UHFFFAOYSA-N 2 1 360.501 4.473 20 0 FIADMP CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513678612 1094269945 /nfs/dbraw/zinc/26/99/45/1094269945.db2.gz PVOGIMNQNKQHER-BHDDXSALSA-N 2 1 358.570 4.066 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ncccc3F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037335 1094366783 /nfs/dbraw/zinc/36/67/83/1094366783.db2.gz ZXPAJLBDOLPXRS-OPVJXMOQSA-N 2 1 367.512 4.284 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039467 1094458406 /nfs/dbraw/zinc/45/84/06/1094458406.db2.gz FDCTZQGKDLSNDT-RUMRUAAYSA-N 2 1 363.549 4.250 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039467 1094458412 /nfs/dbraw/zinc/45/84/12/1094458412.db2.gz FDCTZQGKDLSNDT-RUMRUAAYSA-N 2 1 363.549 4.250 20 0 FIADMP C[N@H+](Cc1cccc(Br)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501035907 1094461157 /nfs/dbraw/zinc/46/11/57/1094461157.db2.gz BYMUZHQPYJCVPS-UHFFFAOYSA-N 2 1 374.326 4.193 20 0 FIADMP C[N@@H+](CCCCOc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501061122 1094471931 /nfs/dbraw/zinc/47/19/31/1094471931.db2.gz DLWONRBOHPTRCV-UHFFFAOYSA-N 2 1 353.510 4.089 20 0 FIADMP CC(C)[C@@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1cccc(N)n1 ZINC001168039888 1094477266 /nfs/dbraw/zinc/47/72/66/1094477266.db2.gz IHSOEVWQKKTACS-PMAPCBKXSA-N 2 1 366.553 4.392 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C[C@@H](c3ccccc3)C(C)C)CCCC2)CC1 ZINC000474799030 1094616255 /nfs/dbraw/zinc/61/62/55/1094616255.db2.gz NEBVXNDUQNWVNM-JOCHJYFZSA-N 2 1 358.570 4.439 20 0 FIADMP Cc1ccc(CCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000474814002 1094658275 /nfs/dbraw/zinc/65/82/75/1094658275.db2.gz FNZVBZUIOSRJNS-MOJGAOKDSA-N 2 1 351.538 4.069 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000474814086 1094658786 /nfs/dbraw/zinc/65/87/86/1094658786.db2.gz XQZOOBRPGRLUSW-HLIPFELVSA-N 2 1 360.542 4.050 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000474814086 1094658788 /nfs/dbraw/zinc/65/87/88/1094658788.db2.gz XQZOOBRPGRLUSW-HLIPFELVSA-N 2 1 360.542 4.050 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CCCC2)CC1 ZINC000501417602 1094694858 /nfs/dbraw/zinc/69/48/58/1094694858.db2.gz BMIPZVFNQNFEOB-FPOVZHCZSA-N 2 1 371.569 4.121 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000501423269 1094703296 /nfs/dbraw/zinc/70/32/96/1094703296.db2.gz MWUNDAVKBLLCOI-QGZVFWFLSA-N 2 1 358.476 4.418 20 0 FIADMP COc1ccc2c(c1)[C@@H]([N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)CCO2 ZINC000420296734 1094856725 /nfs/dbraw/zinc/85/67/25/1094856725.db2.gz DRJNZFNXULHETF-GCJKJVERSA-N 2 1 366.505 4.021 20 0 FIADMP c1ccc(C[N@H+](CCc2ccc3ccccc3c2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420320215 1094881525 /nfs/dbraw/zinc/88/15/25/1094881525.db2.gz YOTNIIQWXRBPCX-DEOSSOPVSA-N 2 1 359.517 4.422 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000420375823 1094913096 /nfs/dbraw/zinc/91/30/96/1094913096.db2.gz PTMOYOUFJJZWOH-QAPCUYQASA-N 2 1 370.390 4.160 20 0 FIADMP CC(C)O[C@@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000428306981 1095047947 /nfs/dbraw/zinc/04/79/47/1095047947.db2.gz RFNKCXQYRWUZTO-QHCPKHFHSA-N 2 1 367.537 4.396 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000522566420 1095139480 /nfs/dbraw/zinc/13/94/80/1095139480.db2.gz HODVCLFCADUNLU-HNNXBMFYSA-N 2 1 360.299 4.062 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)[nH+]c1 ZINC000502268035 1095311716 /nfs/dbraw/zinc/31/17/16/1095311716.db2.gz KRBGJDZVWUSPHI-RXVVDRJESA-N 2 1 350.510 4.070 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000421333988 1095551138 /nfs/dbraw/zinc/55/11/38/1095551138.db2.gz OXSMNNNTMKASQR-UHFFFAOYSA-N 2 1 364.537 4.382 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051054 1095769822 /nfs/dbraw/zinc/76/98/22/1095769822.db2.gz FRJBCFMRNTWGPJ-KOUHRCEDSA-N 2 1 372.553 4.092 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051054 1095769838 /nfs/dbraw/zinc/76/98/38/1095769838.db2.gz FRJBCFMRNTWGPJ-KOUHRCEDSA-N 2 1 372.553 4.092 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051054 1095769854 /nfs/dbraw/zinc/76/98/54/1095769854.db2.gz FRJBCFMRNTWGPJ-KOUHRCEDSA-N 2 1 372.553 4.092 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000513756215 1095870283 /nfs/dbraw/zinc/87/02/83/1095870283.db2.gz XCWUHEKNASOWCY-UHFFFAOYSA-N 2 1 374.532 4.421 20 0 FIADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000421828633 1095941255 /nfs/dbraw/zinc/94/12/55/1095941255.db2.gz DQGHIUJLOIUDDO-HNNXBMFYSA-N 2 1 359.901 4.372 20 0 FIADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000421828720 1095941379 /nfs/dbraw/zinc/94/13/79/1095941379.db2.gz DXRZXOZBTUWXCB-OAHLLOKOSA-N 2 1 359.901 4.372 20 0 FIADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000421846236 1095966929 /nfs/dbraw/zinc/96/69/29/1095966929.db2.gz SCXWXUJSQIMQNZ-INIZCTEOSA-N 2 1 368.924 4.035 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161332 1096100849 /nfs/dbraw/zinc/10/08/49/1096100849.db2.gz SKQOHEGWJGUGMT-AVRDEDQJSA-N 2 1 365.521 4.302 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161332 1096100852 /nfs/dbraw/zinc/10/08/52/1096100852.db2.gz SKQOHEGWJGUGMT-AVRDEDQJSA-N 2 1 365.521 4.302 20 0 FIADMP C[C@H](C[NH+](C)C[C@@H](C)c1nccs1)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273087633 1096232720 /nfs/dbraw/zinc/23/27/20/1096232720.db2.gz SBTZFADDVNQVQG-PHZGNYQRSA-N 2 1 366.600 4.007 20 0 FIADMP C[C@H](C[N@@H+](C)C[C@@H](C)C[NH+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273087633 1096232726 /nfs/dbraw/zinc/23/27/26/1096232726.db2.gz SBTZFADDVNQVQG-PHZGNYQRSA-N 2 1 366.600 4.007 20 0 FIADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000273456923 1096263794 /nfs/dbraw/zinc/26/37/94/1096263794.db2.gz PSSGFOHIGHJPGL-DHIUTWEWSA-N 2 1 368.496 4.300 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000509963134 1096340790 /nfs/dbraw/zinc/34/07/90/1096340790.db2.gz JPVSZLJLAMKHPK-UHFFFAOYSA-N 2 1 365.321 4.409 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000414661399 1096368155 /nfs/dbraw/zinc/36/81/55/1096368155.db2.gz PYDILZDTTNIVJS-UHFFFAOYSA-N 2 1 350.506 4.326 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414662430 1096371758 /nfs/dbraw/zinc/37/17/58/1096371758.db2.gz QFNRHQAIUWOBTI-AZUAARDMSA-N 2 1 360.505 4.017 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414662432 1096372256 /nfs/dbraw/zinc/37/22/56/1096372256.db2.gz QFNRHQAIUWOBTI-QUCCMNQESA-N 2 1 360.505 4.017 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503377168 1096378051 /nfs/dbraw/zinc/37/80/51/1096378051.db2.gz PILOTVOSGIAURN-SFHVURJKSA-N 2 1 351.332 4.113 20 0 FIADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1nc(C(F)(F)F)cs1 ZINC000422807188 1096495880 /nfs/dbraw/zinc/49/58/80/1096495880.db2.gz JGMADQIFPMYPMZ-GXFFZTMASA-N 2 1 358.433 4.126 20 0 FIADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(C(F)(F)F)c1 ZINC000422840877 1096502958 /nfs/dbraw/zinc/50/29/58/1096502958.db2.gz USGANUAKTQHXTK-JSGCOSHPSA-N 2 1 353.388 4.021 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422855852 1096506075 /nfs/dbraw/zinc/50/60/75/1096506075.db2.gz FLOWQKRUZOWOGW-QZTJIDSGSA-N 3 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886583 1096514509 /nfs/dbraw/zinc/51/45/09/1096514509.db2.gz XCCPQPFGSMQNBW-ROUUACIJSA-N 3 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422886583 1096514513 /nfs/dbraw/zinc/51/45/13/1096514513.db2.gz XCCPQPFGSMQNBW-ROUUACIJSA-N 2 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886583 1096514519 /nfs/dbraw/zinc/51/45/19/1096514519.db2.gz XCCPQPFGSMQNBW-ROUUACIJSA-N 2 1 366.553 4.074 20 0 FIADMP FC(F)n1c(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc2ccccc21 ZINC000422913934 1096522588 /nfs/dbraw/zinc/52/25/88/1096522588.db2.gz RFXUGBIOFLVQHH-WMZOPIPTSA-N 2 1 370.447 4.057 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000422947777 1096537170 /nfs/dbraw/zinc/53/71/70/1096537170.db2.gz YVYCCFRYYRAIAE-PWIZWCRZSA-N 2 1 354.494 4.238 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423032847 1096555179 /nfs/dbraw/zinc/55/51/79/1096555179.db2.gz YUIZXPREDSWDKO-SJKOYZFVSA-N 2 1 355.379 4.332 20 0 FIADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423035780 1096556267 /nfs/dbraw/zinc/55/62/67/1096556267.db2.gz KEULWUJUNOUEQR-OPQQBVKSSA-N 2 1 353.226 4.158 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000414715540 1096563918 /nfs/dbraw/zinc/56/39/18/1096563918.db2.gz RBHQEPCWBPVIQR-MSOLQXFVSA-N 2 1 372.557 4.042 20 0 FIADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423111250 1096584405 /nfs/dbraw/zinc/58/44/05/1096584405.db2.gz QKCAQONPRPWTKA-URYYLNOGSA-N 2 1 364.533 4.421 20 0 FIADMP C[C@@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000423147127 1096586887 /nfs/dbraw/zinc/58/68/87/1096586887.db2.gz RBRMZYQUFKOYNV-YHBQJITHSA-N 2 1 360.860 4.386 20 0 FIADMP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423163035 1096598664 /nfs/dbraw/zinc/59/86/64/1096598664.db2.gz MEVQFNKXEAKPAR-RSRIQPTJSA-N 2 1 362.945 4.113 20 0 FIADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423173133 1096602894 /nfs/dbraw/zinc/60/28/94/1096602894.db2.gz XAZHKFIUQPAHQM-BPLDGKMQSA-N 2 1 357.723 4.113 20 0 FIADMP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423186186 1096607720 /nfs/dbraw/zinc/60/77/20/1096607720.db2.gz KNJFFXSDOCQERK-GOSISDBHSA-N 2 1 350.293 4.145 20 0 FIADMP C[C@H]([NH3+])CC[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423227907 1096624578 /nfs/dbraw/zinc/62/45/78/1096624578.db2.gz XLWMLDVRCFBWJC-YVEFUNNKSA-N 2 1 351.263 4.005 20 0 FIADMP CSc1cccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2cc(F)ccc2F)c1 ZINC000423333104 1096650061 /nfs/dbraw/zinc/65/00/61/1096650061.db2.gz DTELFJNWYNCSRZ-HXUWFJFHSA-N 2 1 360.473 4.285 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423369536 1096658279 /nfs/dbraw/zinc/65/82/79/1096658279.db2.gz FBBLETRNLDIKTF-XFQAVAEZSA-N 2 1 374.912 4.306 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423394955 1096664915 /nfs/dbraw/zinc/66/49/15/1096664915.db2.gz NACSSAVRLPZANE-GTTSAUCSSA-N 2 1 357.723 4.141 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423405210 1096673275 /nfs/dbraw/zinc/67/32/75/1096673275.db2.gz ZRMINWXMMVJXDL-HUBLWGQQSA-N 2 1 367.324 4.279 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(c2)CCCN4)C3)cc1 ZINC000423437135 1096685494 /nfs/dbraw/zinc/68/54/94/1096685494.db2.gz GCUFCDFCNQMZJQ-WBDAEOGXSA-N 2 1 361.533 4.330 20 0 FIADMP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ncc(Br)s1 ZINC000423508351 1096703183 /nfs/dbraw/zinc/70/31/83/1096703183.db2.gz QPUJMQSXUZPTCM-DGCLKSJQSA-N 2 1 354.317 4.036 20 0 FIADMP [NH3+]CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423518631 1096711973 /nfs/dbraw/zinc/71/19/73/1096711973.db2.gz PFLOXMMJLDLOSJ-XQUALCHDSA-N 3 1 363.549 4.252 20 0 FIADMP [NH3+]CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000423518631 1096711979 /nfs/dbraw/zinc/71/19/79/1096711979.db2.gz PFLOXMMJLDLOSJ-XQUALCHDSA-N 2 1 363.549 4.252 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298648 1098910948 /nfs/dbraw/zinc/91/09/48/1098910948.db2.gz ZLNCRFBCMIPSNA-FUHWJXTLSA-N 2 1 351.469 4.450 20 0 FIADMP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271649 1098922863 /nfs/dbraw/zinc/92/28/63/1098922863.db2.gz JYFAAUOQBBFULZ-UHFFFAOYSA-N 2 1 372.509 4.162 20 0 FIADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(Cl)c1 ZINC000533407759 1099029806 /nfs/dbraw/zinc/02/98/06/1099029806.db2.gz CQVHFBMBRMHBMS-INIZCTEOSA-N 2 1 365.949 4.028 20 0 FIADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(Cl)c1 ZINC000533407759 1099029816 /nfs/dbraw/zinc/02/98/16/1099029816.db2.gz CQVHFBMBRMHBMS-INIZCTEOSA-N 2 1 365.949 4.028 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447235 1099073004 /nfs/dbraw/zinc/07/30/04/1099073004.db2.gz PKNCLIJZTXZWHN-UONOGXRCSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447235 1099073007 /nfs/dbraw/zinc/07/30/07/1099073007.db2.gz PKNCLIJZTXZWHN-UONOGXRCSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447235 1099073027 /nfs/dbraw/zinc/07/30/27/1099073027.db2.gz PKNCLIJZTXZWHN-UONOGXRCSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+](CC)Cc1ccccc1Nc1cccc(F)c1N1CC[NH+](C)CC1 ZINC001211995934 1099214361 /nfs/dbraw/zinc/21/43/61/1099214361.db2.gz OTNXHGLGGBGZCB-UHFFFAOYSA-N 2 1 370.516 4.163 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)[C@H]2CCC[C@@H]21 ZINC000516324646 1099369621 /nfs/dbraw/zinc/36/96/21/1099369621.db2.gz XWBHALNZIDQFTM-GIWBLDEGSA-N 2 1 374.532 4.047 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)C1 ZINC000459389590 1099373663 /nfs/dbraw/zinc/37/36/63/1099373663.db2.gz MFGFYOWMFXKAEF-HDICACEKSA-N 2 1 364.537 4.122 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098450 1099599695 /nfs/dbraw/zinc/59/96/95/1099599695.db2.gz SAQKVCYNIGHMTD-TYCQWZJGSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098450 1099599704 /nfs/dbraw/zinc/59/97/04/1099599704.db2.gz SAQKVCYNIGHMTD-TYCQWZJGSA-N 2 1 354.469 4.150 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3Cl)CC2)nc(C)[nH+]1 ZINC000162250358 1099657397 /nfs/dbraw/zinc/65/73/97/1099657397.db2.gz ONVXALQYNXJUMJ-CYBMUJFWSA-N 2 1 362.880 4.206 20 0 FIADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459390752 1099711362 /nfs/dbraw/zinc/71/13/62/1099711362.db2.gz PBTUGTSWUKPBBK-DAXSKMNVSA-N 2 1 362.517 4.495 20 0 FIADMP c1cc(C[NH2+]Cc2cnc(C3CC3)nc2)cc(C[NH+]2CCCCCC2)c1 ZINC000459391342 1099785118 /nfs/dbraw/zinc/78/51/18/1099785118.db2.gz QWEDQOCEPJACDV-UHFFFAOYSA-N 2 1 350.510 4.020 20 0 FIADMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701303 1099842910 /nfs/dbraw/zinc/84/29/10/1099842910.db2.gz WNIYKKAQWZLLAT-QPPBQGQZSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H](NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701303 1099842925 /nfs/dbraw/zinc/84/29/25/1099842925.db2.gz WNIYKKAQWZLLAT-QPPBQGQZSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H](NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701303 1099842935 /nfs/dbraw/zinc/84/29/35/1099842935.db2.gz WNIYKKAQWZLLAT-QPPBQGQZSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701303 1099842952 /nfs/dbraw/zinc/84/29/52/1099842952.db2.gz WNIYKKAQWZLLAT-QPPBQGQZSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701303 1099842958 /nfs/dbraw/zinc/84/29/58/1099842958.db2.gz WNIYKKAQWZLLAT-QPPBQGQZSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701303 1099842969 /nfs/dbraw/zinc/84/29/69/1099842969.db2.gz WNIYKKAQWZLLAT-QPPBQGQZSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701303 1099842981 /nfs/dbraw/zinc/84/29/81/1099842981.db2.gz WNIYKKAQWZLLAT-QPPBQGQZSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702511 1099854095 /nfs/dbraw/zinc/85/40/95/1099854095.db2.gz ZILSBGHWGDQPLV-ZHALLVOQSA-N 2 1 374.475 4.232 20 0 FIADMP CCOCCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000508703569 1099857161 /nfs/dbraw/zinc/85/71/61/1099857161.db2.gz YWTAGFDSYRTLEB-IRLDBZIGSA-N 2 1 358.570 4.474 20 0 FIADMP Cc1ccc([C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000508709535 1099876942 /nfs/dbraw/zinc/87/69/42/1099876942.db2.gz HSMJTJIAJZXKGI-HUVFLSCGSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709535 1099876961 /nfs/dbraw/zinc/87/69/61/1099876961.db2.gz HSMJTJIAJZXKGI-HUVFLSCGSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000508709535 1099876975 /nfs/dbraw/zinc/87/69/75/1099876975.db2.gz HSMJTJIAJZXKGI-HUVFLSCGSA-N 2 1 365.565 4.098 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708938 1099887993 /nfs/dbraw/zinc/88/79/93/1099887993.db2.gz FCXQGUBSRIBUKA-ILWGZMRPSA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708938 1099887996 /nfs/dbraw/zinc/88/79/96/1099887996.db2.gz FCXQGUBSRIBUKA-ILWGZMRPSA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708938 1099888001 /nfs/dbraw/zinc/88/80/01/1099888001.db2.gz FCXQGUBSRIBUKA-ILWGZMRPSA-N 2 1 369.553 4.163 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895896 /nfs/dbraw/zinc/89/58/96/1099895896.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895904 /nfs/dbraw/zinc/89/59/04/1099895904.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895913 /nfs/dbraw/zinc/89/59/13/1099895913.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895923 /nfs/dbraw/zinc/89/59/23/1099895923.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866861 1099895940 /nfs/dbraw/zinc/89/59/40/1099895940.db2.gz UZUMPINZNKEABM-DHIUTWEWSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709974 1099899716 /nfs/dbraw/zinc/89/97/16/1099899716.db2.gz KNQCSAZHQMXPGQ-UVUJQTEASA-N 2 1 358.570 4.328 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709807 1099899975 /nfs/dbraw/zinc/89/99/75/1099899975.db2.gz JOMTZMFQRRLSSA-GBXCKJPGSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709807 1099899984 /nfs/dbraw/zinc/89/99/84/1099899984.db2.gz JOMTZMFQRRLSSA-GBXCKJPGSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709807 1099899989 /nfs/dbraw/zinc/89/99/89/1099899989.db2.gz JOMTZMFQRRLSSA-GBXCKJPGSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709807 1099899996 /nfs/dbraw/zinc/89/99/96/1099899996.db2.gz JOMTZMFQRRLSSA-GBXCKJPGSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000508709807 1099900005 /nfs/dbraw/zinc/90/00/05/1099900005.db2.gz JOMTZMFQRRLSSA-GBXCKJPGSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000508709807 1099900006 /nfs/dbraw/zinc/90/00/06/1099900006.db2.gz JOMTZMFQRRLSSA-GBXCKJPGSA-N 2 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709807 1099900007 /nfs/dbraw/zinc/90/00/07/1099900007.db2.gz JOMTZMFQRRLSSA-GBXCKJPGSA-N 2 1 365.565 4.139 20 0 FIADMP COc1ccc(CCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711291 1099900691 /nfs/dbraw/zinc/90/06/91/1099900691.db2.gz AIUARZHYIXHIRP-DENIHFKCSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712667 1099902793 /nfs/dbraw/zinc/90/27/93/1099902793.db2.gz RMVOUBRDVSVNQI-MIZPHKNDSA-N 2 1 374.532 4.434 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162729044 1099976182 /nfs/dbraw/zinc/97/61/82/1099976182.db2.gz ZCMJUNFSGIFNET-KRWDZBQOSA-N 2 1 355.526 4.417 20 0 FIADMP CCOc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162776378 1099997067 /nfs/dbraw/zinc/99/70/67/1099997067.db2.gz LOXUZWYMKPPHFU-QGZVFWFLSA-N 2 1 371.525 4.253 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467360076 1100103708 /nfs/dbraw/zinc/10/37/08/1100103708.db2.gz WFCXVVUHIAEVHO-KNQBKSORSA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467360076 1100103721 /nfs/dbraw/zinc/10/37/21/1100103721.db2.gz WFCXVVUHIAEVHO-KNQBKSORSA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000437760387 1100152316 /nfs/dbraw/zinc/15/23/16/1100152316.db2.gz DUCAHKKUHBVXSQ-FCHUYYIVSA-N 2 1 356.554 4.122 20 0 FIADMP CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000536675119 1100164760 /nfs/dbraw/zinc/16/47/60/1100164760.db2.gz OCDDVVSFKOVGFN-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1C ZINC000536675119 1100164774 /nfs/dbraw/zinc/16/47/74/1100164774.db2.gz OCDDVVSFKOVGFN-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C ZINC000536675119 1100164783 /nfs/dbraw/zinc/16/47/83/1100164783.db2.gz OCDDVVSFKOVGFN-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C ZINC000536675119 1100164792 /nfs/dbraw/zinc/16/47/92/1100164792.db2.gz OCDDVVSFKOVGFN-HSZRJFAPSA-N 2 1 366.553 4.008 20 0 FIADMP CCc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000536709745 1100230069 /nfs/dbraw/zinc/23/00/69/1100230069.db2.gz MYPHFHBMPZZZMD-UHFFFAOYSA-N 2 1 355.551 4.194 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379650245 1100260605 /nfs/dbraw/zinc/26/06/05/1100260605.db2.gz RGMJKIXBVXBMPS-LPHOPBHVSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379650245 1100260610 /nfs/dbraw/zinc/26/06/10/1100260610.db2.gz RGMJKIXBVXBMPS-LPHOPBHVSA-N 2 1 360.448 4.431 20 0 FIADMP CCCn1ccnc1CCC[N@@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459552222 1100299186 /nfs/dbraw/zinc/29/91/86/1100299186.db2.gz SRNJUGYZTUUCAX-UHFFFAOYSA-N 2 1 371.554 4.253 20 0 FIADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cc4c(cccc4F)[nH]3)C1)CCCC2 ZINC000437983451 1100348932 /nfs/dbraw/zinc/34/89/32/1100348932.db2.gz XTZWGHGUSSARNG-MRXNPFEDSA-N 2 1 352.457 4.138 20 0 FIADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc4c(cccc4F)[nH]3)C1)CCCC2 ZINC000437983451 1100348939 /nfs/dbraw/zinc/34/89/39/1100348939.db2.gz XTZWGHGUSSARNG-MRXNPFEDSA-N 2 1 352.457 4.138 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2csc3ccccc23)[C@@H](C)C1 ZINC000536849941 1100363032 /nfs/dbraw/zinc/36/30/32/1100363032.db2.gz DRGOABVKVLOKPN-PXNSSMCTSA-N 2 1 360.567 4.170 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000536861961 1100379965 /nfs/dbraw/zinc/37/99/65/1100379965.db2.gz IKPHQBXLUAJAPT-RVKKMQEKSA-N 2 1 368.974 4.356 20 0 FIADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414921722 1100414898 /nfs/dbraw/zinc/41/48/98/1100414898.db2.gz FSJXSVRUUDUTNE-UONOGXRCSA-N 2 1 355.429 4.188 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000425951567 1100446636 /nfs/dbraw/zinc/44/66/36/1100446636.db2.gz QCXJNKYFOYGXPS-HKBOAZHASA-N 2 1 355.913 4.235 20 0 FIADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755149 1100639297 /nfs/dbraw/zinc/63/92/97/1100639297.db2.gz OQBFYLVBMYYJGM-RDTXWAMCSA-N 2 1 351.416 4.455 20 0 FIADMP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755149 1100639299 /nfs/dbraw/zinc/63/92/99/1100639299.db2.gz OQBFYLVBMYYJGM-RDTXWAMCSA-N 2 1 351.416 4.455 20 0 FIADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000506220306 1100642954 /nfs/dbraw/zinc/64/29/54/1100642954.db2.gz VYKHBUJPTSYUJQ-UHFFFAOYSA-N 2 1 373.491 4.127 20 0 FIADMP CCC(CC)(C[NH2+]C1CCC(C(=O)OC)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000426018730 1100672469 /nfs/dbraw/zinc/67/24/69/1100672469.db2.gz CNVNGCXPSXASIE-QHGAOEGBSA-N 2 1 360.542 4.217 20 0 FIADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438581049 1100768319 /nfs/dbraw/zinc/76/83/19/1100768319.db2.gz PQFKGKHQQRDKQC-NRFANRHFSA-N 2 1 355.526 4.018 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414949763 1100906594 /nfs/dbraw/zinc/90/65/94/1100906594.db2.gz FOGHQZHONFDHSO-DOMZBBRYSA-N 2 1 357.361 4.037 20 0 FIADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000439006845 1101076100 /nfs/dbraw/zinc/07/61/00/1101076100.db2.gz TYXGAGUFAATRSV-INIZCTEOSA-N 2 1 373.541 4.101 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000426300073 1101219523 /nfs/dbraw/zinc/21/95/23/1101219523.db2.gz BTXCSWDFIRUYMC-LPHOPBHVSA-N 2 1 364.468 4.249 20 0 FIADMP CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000426335051 1101288528 /nfs/dbraw/zinc/28/85/28/1101288528.db2.gz NKPOUSQBKFKIPI-BQFCYCMXSA-N 2 1 363.343 4.289 20 0 FIADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001167964324 1101349210 /nfs/dbraw/zinc/34/92/10/1101349210.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964324 1101349226 /nfs/dbraw/zinc/34/92/26/1101349226.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001167964324 1101349242 /nfs/dbraw/zinc/34/92/42/1101349242.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964324 1101349256 /nfs/dbraw/zinc/34/92/56/1101349256.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 2 1 367.581 4.035 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1Cc1ccccc1 ZINC001167964324 1101349271 /nfs/dbraw/zinc/34/92/71/1101349271.db2.gz OXLPUZDLYCQICJ-FNFMLGTDSA-N 2 1 367.581 4.035 20 0 FIADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000459733361 1101350512 /nfs/dbraw/zinc/35/05/12/1101350512.db2.gz NKEHUBOTYQRAQL-LJQANCHMSA-N 2 1 368.521 4.096 20 0 FIADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000459736656 1101366119 /nfs/dbraw/zinc/36/61/19/1101366119.db2.gz QGSDUIMIZSMAIZ-IBGZPJMESA-N 2 1 368.521 4.096 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)cc1 ZINC000537160770 1101505967 /nfs/dbraw/zinc/50/59/67/1101505967.db2.gz HTRJFJWTVGQSEY-AWEZNQCLSA-N 2 1 368.868 4.123 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC000426418774 1101538606 /nfs/dbraw/zinc/53/86/06/1101538606.db2.gz YDDFLRUJNQKNFL-OTWHNJEPSA-N 2 1 362.558 4.070 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001168177398 1101993878 /nfs/dbraw/zinc/99/38/78/1101993878.db2.gz PPZZKZSXZWZCHC-WMQCIHAUSA-N 2 1 369.940 4.120 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000519222206 1102019813 /nfs/dbraw/zinc/01/98/13/1102019813.db2.gz SFFBTFOBBXAMNJ-WOJBJXKFSA-N 2 1 373.585 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000120598023 1102238203 /nfs/dbraw/zinc/23/82/03/1102238203.db2.gz BOZVSYSTOPQQCK-IBGZPJMESA-N 2 1 365.481 4.249 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000120598023 1102238210 /nfs/dbraw/zinc/23/82/10/1102238210.db2.gz BOZVSYSTOPQQCK-IBGZPJMESA-N 2 1 365.481 4.249 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000061070267 1102257245 /nfs/dbraw/zinc/25/72/45/1102257245.db2.gz HZVCMUDXZRFTKB-UHFFFAOYSA-N 2 1 373.544 4.267 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120825433 1102272613 /nfs/dbraw/zinc/27/26/13/1102272613.db2.gz DXSMFOMOSYZXFC-FQEVSTJZSA-N 2 1 367.537 4.118 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000120825433 1102272624 /nfs/dbraw/zinc/27/26/24/1102272624.db2.gz DXSMFOMOSYZXFC-FQEVSTJZSA-N 2 1 367.537 4.118 20 0 FIADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1c(Cl)cccc1Cl ZINC001167967527 1102287085 /nfs/dbraw/zinc/28/70/85/1102287085.db2.gz GQAZYGCBTHGMDH-MUSFGAPCSA-N 2 1 369.336 4.022 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797545 1102329262 /nfs/dbraw/zinc/32/92/62/1102329262.db2.gz RXVRJZKYRODOAK-POZUXBRTSA-N 2 1 374.326 4.330 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550796834 1102329368 /nfs/dbraw/zinc/32/93/68/1102329368.db2.gz CXTJJYSDAPWWDG-BJESRGMDSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000550796834 1102329382 /nfs/dbraw/zinc/32/93/82/1102329382.db2.gz CXTJJYSDAPWWDG-BJESRGMDSA-N 2 1 350.506 4.189 20 0 FIADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000532442569 1102332229 /nfs/dbraw/zinc/33/22/29/1102332229.db2.gz JZTWBOVUZLCYBM-RBUKOAKNSA-N 2 1 352.522 4.441 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000532451791 1102344864 /nfs/dbraw/zinc/34/48/64/1102344864.db2.gz DPFZSZWLOCPYRP-GOSISDBHSA-N 2 1 369.322 4.286 20 0 FIADMP COc1cc(C)ccc1[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485520 1102426056 /nfs/dbraw/zinc/42/60/56/1102426056.db2.gz SQTLPMXQBGSCJD-FPOVZHCZSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485520 1102426064 /nfs/dbraw/zinc/42/60/64/1102426064.db2.gz SQTLPMXQBGSCJD-FPOVZHCZSA-N 2 1 352.522 4.219 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485520 1102426069 /nfs/dbraw/zinc/42/60/69/1102426069.db2.gz SQTLPMXQBGSCJD-FPOVZHCZSA-N 2 1 352.522 4.219 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488674 1102430507 /nfs/dbraw/zinc/43/05/07/1102430507.db2.gz XOWCKHHFOQVKMX-CPUCHLNUSA-N 2 1 353.348 4.045 20 0 FIADMP COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000532529779 1102446321 /nfs/dbraw/zinc/44/63/21/1102446321.db2.gz NUVBBKPRJOFKEF-DLBZAZTESA-N 2 1 365.477 4.307 20 0 FIADMP CCO[C@@H](C)c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000121767741 1102455412 /nfs/dbraw/zinc/45/54/12/1102455412.db2.gz CLEBCWZZTSGVOW-KRWDZBQOSA-N 2 1 365.587 4.329 20 0 FIADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000509664147 1102516766 /nfs/dbraw/zinc/51/67/66/1102516766.db2.gz GOWWYKXTKRKGGT-SILNSSARSA-N 2 1 364.533 4.491 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000060366856 1102538572 /nfs/dbraw/zinc/53/85/72/1102538572.db2.gz WJUXIUPAOXTACM-ZDUSSCGKSA-N 2 1 355.309 4.091 20 0 FIADMP CC(C)(C[NH3+])c1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167974263 1102546895 /nfs/dbraw/zinc/54/68/95/1102546895.db2.gz SUEXQLMGRAOZRK-DFNIBXOVSA-N 2 1 351.538 4.456 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303780533 1102563877 /nfs/dbraw/zinc/56/38/77/1102563877.db2.gz SJKKGLBIQOYKQA-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303780533 1102563889 /nfs/dbraw/zinc/56/38/89/1102563889.db2.gz SJKKGLBIQOYKQA-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780533 1102563896 /nfs/dbraw/zinc/56/38/96/1102563896.db2.gz SJKKGLBIQOYKQA-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780533 1102563903 /nfs/dbraw/zinc/56/39/03/1102563903.db2.gz SJKKGLBIQOYKQA-GBXCKJPGSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000550857587 1102564099 /nfs/dbraw/zinc/56/40/99/1102564099.db2.gz BVEUQSZZOOUEKT-MRXNPFEDSA-N 2 1 356.489 4.069 20 0 FIADMP COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122431327 1102576493 /nfs/dbraw/zinc/57/64/93/1102576493.db2.gz QLKPDZVCBKRDDO-JKSUJKDBSA-N 2 1 360.473 4.187 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000152279932 1102585984 /nfs/dbraw/zinc/58/59/84/1102585984.db2.gz XYQNYFXMEJJMBV-DYESRHJHSA-N 2 1 364.493 4.261 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000152279823 1102586825 /nfs/dbraw/zinc/58/68/25/1102586825.db2.gz XYQNYFXMEJJMBV-UWJYYQICSA-N 2 1 364.493 4.261 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000550159397 1102619753 /nfs/dbraw/zinc/61/97/53/1102619753.db2.gz XGRINPCFIULLFF-UHFFFAOYSA-N 2 1 370.497 4.432 20 0 FIADMP COCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000550861101 1102645000 /nfs/dbraw/zinc/64/50/00/1102645000.db2.gz WETNHCIGGUAJLC-FDFHNCONSA-N 2 1 356.554 4.084 20 0 FIADMP CC1(C)C[N@@H+](CCc2cncs2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836554 1102675864 /nfs/dbraw/zinc/67/58/64/1102675864.db2.gz LDXPYTVEWPUWLL-OAQYLSRUSA-N 2 1 369.578 4.308 20 0 FIADMP Cc1noc([C@@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835917 1102690272 /nfs/dbraw/zinc/69/02/72/1102690272.db2.gz HSCPYPWLQFYUCG-OXQOHEQNSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1noc([C@@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835917 1102690278 /nfs/dbraw/zinc/69/02/78/1102690278.db2.gz HSCPYPWLQFYUCG-OXQOHEQNSA-N 2 1 368.525 4.062 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000550939706 1102701485 /nfs/dbraw/zinc/70/14/85/1102701485.db2.gz DNCHZZGSTKPTQT-UHFFFAOYSA-N 2 1 374.532 4.405 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000550977392 1102739220 /nfs/dbraw/zinc/73/92/20/1102739220.db2.gz SZRQCIVKSMDKPC-HBMCJLEFSA-N 2 1 369.578 4.310 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123025178 1102739336 /nfs/dbraw/zinc/73/93/36/1102739336.db2.gz ODTVUNKWPKLNJE-RDJZCZTQSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123025178 1102739350 /nfs/dbraw/zinc/73/93/50/1102739350.db2.gz ODTVUNKWPKLNJE-RDJZCZTQSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123025178 1102739358 /nfs/dbraw/zinc/73/93/58/1102739358.db2.gz ODTVUNKWPKLNJE-RDJZCZTQSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123025178 1102739369 /nfs/dbraw/zinc/73/93/69/1102739369.db2.gz ODTVUNKWPKLNJE-RDJZCZTQSA-N 2 1 358.448 4.279 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000551029911 1102806484 /nfs/dbraw/zinc/80/64/84/1102806484.db2.gz SQKFEXBDULLVKZ-TZMCWYRMSA-N 2 1 357.361 4.208 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000551029911 1102806499 /nfs/dbraw/zinc/80/64/99/1102806499.db2.gz SQKFEXBDULLVKZ-TZMCWYRMSA-N 2 1 357.361 4.208 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000551029908 1102806660 /nfs/dbraw/zinc/80/66/60/1102806660.db2.gz SQKFEXBDULLVKZ-GXTWGEPZSA-N 2 1 357.361 4.208 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000551029908 1102806680 /nfs/dbraw/zinc/80/66/80/1102806680.db2.gz SQKFEXBDULLVKZ-GXTWGEPZSA-N 2 1 357.361 4.208 20 0 FIADMP CN(C)c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032631 1102836958 /nfs/dbraw/zinc/83/69/58/1102836958.db2.gz WTBWVORRJVEVOC-REWPJTCUSA-N 2 1 374.532 4.226 20 0 FIADMP CN(C)c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032631 1102836979 /nfs/dbraw/zinc/83/69/79/1102836979.db2.gz WTBWVORRJVEVOC-REWPJTCUSA-N 2 1 374.532 4.226 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551051578 1102863350 /nfs/dbraw/zinc/86/33/50/1102863350.db2.gz RFQSEFCPURWJIC-VXNXHJTFSA-N 2 1 363.549 4.076 20 0 FIADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551051578 1102863370 /nfs/dbraw/zinc/86/33/70/1102863370.db2.gz RFQSEFCPURWJIC-VXNXHJTFSA-N 2 1 363.549 4.076 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)cc1OC ZINC000551051126 1102863628 /nfs/dbraw/zinc/86/36/28/1102863628.db2.gz NSDBUMCRBQJDGP-KNBMTAEXSA-N 2 1 372.484 4.329 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000551176112 1102948926 /nfs/dbraw/zinc/94/89/26/1102948926.db2.gz UOJALELOZIIAHO-JBJBFBLISA-N 2 1 351.538 4.103 20 0 FIADMP Clc1ccc(-c2ncc(C[NH2+]C3CC[NH+](CC4CC4)CC3)s2)cc1 ZINC000551225713 1102992121 /nfs/dbraw/zinc/99/21/21/1102992121.db2.gz XSXAGGDKXFWXSO-UHFFFAOYSA-N 2 1 361.942 4.428 20 0 FIADMP CCC[N@H+](Cc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532708718 1103014648 /nfs/dbraw/zinc/01/46/48/1103014648.db2.gz XPBGGIMIZVNHCY-UHFFFAOYSA-N 2 1 352.526 4.283 20 0 FIADMP CCC[N@@H+](Cc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532708718 1103014665 /nfs/dbraw/zinc/01/46/65/1103014665.db2.gz XPBGGIMIZVNHCY-UHFFFAOYSA-N 2 1 352.526 4.283 20 0 FIADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000532721058 1103113047 /nfs/dbraw/zinc/11/30/47/1103113047.db2.gz RXBFLGLBPBNDIN-CTNGQTDRSA-N 2 1 374.488 4.278 20 0 FIADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000532721058 1103113055 /nfs/dbraw/zinc/11/30/55/1103113055.db2.gz RXBFLGLBPBNDIN-CTNGQTDRSA-N 2 1 374.488 4.278 20 0 FIADMP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984748 1103220157 /nfs/dbraw/zinc/22/01/57/1103220157.db2.gz QOWUXKBSHRARAS-JIMIUWDKSA-N 2 1 356.554 4.354 20 0 FIADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984748 1103220166 /nfs/dbraw/zinc/22/01/66/1103220166.db2.gz QOWUXKBSHRARAS-JIMIUWDKSA-N 2 1 356.554 4.354 20 0 FIADMP CC[NH+]([C@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984748 1103220173 /nfs/dbraw/zinc/22/01/73/1103220173.db2.gz QOWUXKBSHRARAS-JIMIUWDKSA-N 2 1 356.554 4.354 20 0 FIADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001203214041 1103250958 /nfs/dbraw/zinc/25/09/58/1103250958.db2.gz BBZBVTZYTLUCDO-IAGOWNOFSA-N 2 1 353.348 4.233 20 0 FIADMP CC(C)(C)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cn1 ZINC000551547041 1103343550 /nfs/dbraw/zinc/34/35/50/1103343550.db2.gz GAIMGEXBJDLCRZ-UHFFFAOYSA-N 2 1 366.553 4.440 20 0 FIADMP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999459 1103411885 /nfs/dbraw/zinc/41/18/85/1103411885.db2.gz KBIWLHQPVJCHJL-INIZCTEOSA-N 2 1 367.331 4.002 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000507498117 1103428805 /nfs/dbraw/zinc/42/88/05/1103428805.db2.gz UFTBFUMWRPCOQI-ADHNFCLRSA-N 2 1 368.496 4.013 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000507498117 1103428811 /nfs/dbraw/zinc/42/88/11/1103428811.db2.gz UFTBFUMWRPCOQI-ADHNFCLRSA-N 2 1 368.496 4.013 20 0 FIADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000551801592 1103647029 /nfs/dbraw/zinc/64/70/29/1103647029.db2.gz IRFJRUSYOPMSLH-UHFFFAOYSA-N 2 1 371.569 4.009 20 0 FIADMP c1ccc2c(c1)nc([C@@H]1CCCC[NH2+]1)n2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994457 1104491127 /nfs/dbraw/zinc/49/11/27/1104491127.db2.gz FJJOYKQJEPNNNC-VHRCFOOQSA-N 2 1 364.537 4.429 20 0 FIADMP Fc1cccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167996220 1104615014 /nfs/dbraw/zinc/61/50/14/1104615014.db2.gz ZSQHTRGKEWRSNQ-YOFSQIOKSA-N 2 1 358.501 4.074 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303338 1104638783 /nfs/dbraw/zinc/63/87/83/1104638783.db2.gz YQRHZHKGJXJXBB-DYVFJYSZSA-N 2 1 369.322 4.286 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCC2)cc1 ZINC000427571999 1104727451 /nfs/dbraw/zinc/72/74/51/1104727451.db2.gz FGWSMLIGASZBGD-DEOSSOPVSA-N 2 1 364.533 4.458 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585520 1104904515 /nfs/dbraw/zinc/90/45/15/1104904515.db2.gz CWUFIIJVAGNIOW-PMOQBDJRSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585520 1104904517 /nfs/dbraw/zinc/90/45/17/1104904517.db2.gz CWUFIIJVAGNIOW-PMOQBDJRSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585520 1104904520 /nfs/dbraw/zinc/90/45/20/1104904520.db2.gz CWUFIIJVAGNIOW-PMOQBDJRSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001143585520 1104904522 /nfs/dbraw/zinc/90/45/22/1104904522.db2.gz CWUFIIJVAGNIOW-PMOQBDJRSA-N 2 1 367.512 4.262 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000388829658 1105044578 /nfs/dbraw/zinc/04/45/78/1105044578.db2.gz WZJIUXFKGGPFMS-SQGPQFPESA-N 2 1 356.485 4.396 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375633 1105061935 /nfs/dbraw/zinc/06/19/35/1105061935.db2.gz PYOHKYIQFNZOEA-KGLIPLIRSA-N 2 1 358.473 4.476 20 0 FIADMP COc1cc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC001168005161 1105071649 /nfs/dbraw/zinc/07/16/49/1105071649.db2.gz HDLGRZKDLOZUIN-QZTJIDSGSA-N 2 1 368.521 4.235 20 0 FIADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406612 1105087855 /nfs/dbraw/zinc/08/78/55/1105087855.db2.gz AIKTVXSDKUICLE-MSOLQXFVSA-N 2 1 350.506 4.497 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000093075590 1105090524 /nfs/dbraw/zinc/09/05/24/1105090524.db2.gz DSKOVTMYTIFTGS-LJQANCHMSA-N 2 1 374.532 4.402 20 0 FIADMP C[C@@H](CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)[NH+]1CCCCC1 ZINC000427870545 1105305413 /nfs/dbraw/zinc/30/54/13/1105305413.db2.gz ZREHRZYSWAASDN-YOEHRIQHSA-N 2 1 355.448 4.332 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508204650 1105358472 /nfs/dbraw/zinc/35/84/72/1105358472.db2.gz IHDBRZNQAMWRHO-MKXGPGLRSA-N 2 1 357.542 4.118 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000390836988 1106750449 /nfs/dbraw/zinc/75/04/49/1106750449.db2.gz AMXDBGNCPCAYKM-LEWJYISDSA-N 2 1 356.554 4.369 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000390836988 1106750460 /nfs/dbraw/zinc/75/04/60/1106750460.db2.gz AMXDBGNCPCAYKM-LEWJYISDSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](COCC3CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064253 1106855910 /nfs/dbraw/zinc/85/59/10/1106855910.db2.gz PLVFFGSHRNMPML-YDLSIGKMSA-N 2 1 356.554 4.177 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](COCC3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064253 1106855925 /nfs/dbraw/zinc/85/59/25/1106855925.db2.gz PLVFFGSHRNMPML-YDLSIGKMSA-N 2 1 356.554 4.177 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](COCC3CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064253 1106855937 /nfs/dbraw/zinc/85/59/37/1106855937.db2.gz PLVFFGSHRNMPML-YDLSIGKMSA-N 2 1 356.554 4.177 20 0 FIADMP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc1F ZINC000301079796 1106926366 /nfs/dbraw/zinc/92/63/66/1106926366.db2.gz MFKNCAYKGXOJAL-UHFFFAOYSA-N 2 1 365.452 4.013 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000530513271 1107107352 /nfs/dbraw/zinc/10/73/52/1107107352.db2.gz YLXFDYGNAZMDMN-HXUWFJFHSA-N 2 1 357.860 4.329 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000530513263 1107107803 /nfs/dbraw/zinc/10/78/03/1107107803.db2.gz YEQFOOCNLUEUKN-QFIPXVFZSA-N 2 1 360.436 4.029 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662498 1107234557 /nfs/dbraw/zinc/23/45/57/1107234557.db2.gz PANMIBQPRIECOQ-AVRDEDQJSA-N 2 1 365.521 4.244 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662498 1107234566 /nfs/dbraw/zinc/23/45/66/1107234566.db2.gz PANMIBQPRIECOQ-AVRDEDQJSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662498 1107234578 /nfs/dbraw/zinc/23/45/78/1107234578.db2.gz PANMIBQPRIECOQ-AVRDEDQJSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C ZINC000530662498 1107234585 /nfs/dbraw/zinc/23/45/85/1107234585.db2.gz PANMIBQPRIECOQ-AVRDEDQJSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000530714386 1107262345 /nfs/dbraw/zinc/26/23/45/1107262345.db2.gz OSTYKWSJHFHDGW-LEWJYISDSA-N 2 1 352.526 4.134 20 0 FIADMP Cc1[nH+]c2ccccc2c(N2CCC[N@H+](Cc3cscn3)CC2)c1C ZINC000302064034 1107283723 /nfs/dbraw/zinc/28/37/23/1107283723.db2.gz DHBILDOSRUFQRC-UHFFFAOYSA-N 2 1 352.507 4.020 20 0 FIADMP Cc1[nH+]c2ccccc2c(N2CCC[N@@H+](Cc3cscn3)CC2)c1C ZINC000302064034 1107283732 /nfs/dbraw/zinc/28/37/32/1107283732.db2.gz DHBILDOSRUFQRC-UHFFFAOYSA-N 2 1 352.507 4.020 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3SCCc4ccccc43)CC2)cc1 ZINC000530913380 1107407651 /nfs/dbraw/zinc/40/76/51/1107407651.db2.gz RGMPWCYPCVIQJB-QFIPXVFZSA-N 2 1 352.547 4.271 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000530914431 1107408378 /nfs/dbraw/zinc/40/83/78/1107408378.db2.gz DOXMNDXFDOPWFH-OALUTQOASA-N 2 1 374.960 4.164 20 0 FIADMP Cc1ccc2[nH+]ccc(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)c2c1 ZINC000302906190 1107485155 /nfs/dbraw/zinc/48/51/55/1107485155.db2.gz WOFBIGYJBBYFLC-HXUWFJFHSA-N 2 1 361.489 4.112 20 0 FIADMP COc1ccccc1[C@H](CC(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655718458 1107607331 /nfs/dbraw/zinc/60/73/31/1107607331.db2.gz JYHAXSFNKVQYCD-CTNGQTDRSA-N 2 1 360.542 4.015 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000531240638 1107687119 /nfs/dbraw/zinc/68/71/19/1107687119.db2.gz OXTPIMCSRPBBLS-WMZOPIPTSA-N 2 1 358.555 4.195 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@@H](c4cccc(F)c4)C3)sc2C1 ZINC000475555702 1107725566 /nfs/dbraw/zinc/72/55/66/1107725566.db2.gz NCYYTPABGNJFPX-SJLPKXTDSA-N 2 1 373.541 4.475 20 0 FIADMP Cc1nc2c(s1)[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000163256879 1107896164 /nfs/dbraw/zinc/89/61/64/1107896164.db2.gz FMBVZSDKGANKRW-XFQXTVEOSA-N 2 1 355.551 4.472 20 0 FIADMP Cc1nc2c(s1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000163256879 1107896186 /nfs/dbraw/zinc/89/61/86/1107896186.db2.gz FMBVZSDKGANKRW-XFQXTVEOSA-N 2 1 355.551 4.472 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000163256879 1107896207 /nfs/dbraw/zinc/89/62/07/1107896207.db2.gz FMBVZSDKGANKRW-XFQXTVEOSA-N 2 1 355.551 4.472 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000163256879 1107896225 /nfs/dbraw/zinc/89/62/25/1107896225.db2.gz FMBVZSDKGANKRW-XFQXTVEOSA-N 2 1 355.551 4.472 20 0 FIADMP COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000531703800 1108083445 /nfs/dbraw/zinc/08/34/45/1108083445.db2.gz KAIAJMUFGMBEHE-OAHLLOKOSA-N 2 1 353.441 4.222 20 0 FIADMP C[C@H](CC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)[N@@H+](C)Cc1ccccc1 ZINC000531725755 1108098511 /nfs/dbraw/zinc/09/85/11/1108098511.db2.gz BVGTZUNCEDYKDZ-MSOLQXFVSA-N 2 1 365.521 4.133 20 0 FIADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000453097613 1108144530 /nfs/dbraw/zinc/14/45/30/1108144530.db2.gz XBHPBHZVEGGXTI-AZUAARDMSA-N 2 1 357.567 4.356 20 0 FIADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000453097613 1108144533 /nfs/dbraw/zinc/14/45/33/1108144533.db2.gz XBHPBHZVEGGXTI-AZUAARDMSA-N 2 1 357.567 4.356 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)c3ccncc3)CC2)cs1 ZINC000453110705 1108179671 /nfs/dbraw/zinc/17/96/71/1108179671.db2.gz OABBAURBFNMUNC-IBGZPJMESA-N 2 1 358.555 4.053 20 0 FIADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127596 1108206260 /nfs/dbraw/zinc/20/62/60/1108206260.db2.gz PPGBOQLOEPGLFB-ZLNRFVROSA-N 2 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127596 1108206267 /nfs/dbraw/zinc/20/62/67/1108206267.db2.gz PPGBOQLOEPGLFB-ZLNRFVROSA-N 3 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127596 1108206277 /nfs/dbraw/zinc/20/62/77/1108206277.db2.gz PPGBOQLOEPGLFB-ZLNRFVROSA-N 3 1 366.553 4.005 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCOC4(CCC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453331660 1108388662 /nfs/dbraw/zinc/38/86/62/1108388662.db2.gz ZQCFLUHLEUHZHB-WZYRSQIMSA-N 2 1 368.565 4.369 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000531932637 1108403779 /nfs/dbraw/zinc/40/37/79/1108403779.db2.gz BLLKPISQOJOZQE-AOMKIAJQSA-N 2 1 366.484 4.273 20 0 FIADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H](C)c3cc(C)c(C)o3)CC2)cc1 ZINC000453324997 1108418768 /nfs/dbraw/zinc/41/87/68/1108418768.db2.gz LWODFPSWSITCAN-MRXNPFEDSA-N 2 1 369.509 4.170 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000531979276 1108495214 /nfs/dbraw/zinc/49/52/14/1108495214.db2.gz MLFUCBSPSFUIKM-HFAKWTLXSA-N 2 1 365.732 4.344 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247901 1108726699 /nfs/dbraw/zinc/72/66/99/1108726699.db2.gz SRQAOQBITSWWSP-MZLICYQSSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000532247901 1108726708 /nfs/dbraw/zinc/72/67/08/1108726708.db2.gz SRQAOQBITSWWSP-MZLICYQSSA-N 2 1 374.532 4.434 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000532301012 1108756438 /nfs/dbraw/zinc/75/64/38/1108756438.db2.gz SZZUIIZJUCTDQW-UHFFFAOYSA-N 2 1 373.585 4.044 20 0 FIADMP Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000445598931 1108910911 /nfs/dbraw/zinc/91/09/11/1108910911.db2.gz FLMKFRATHFKXOW-UHFFFAOYSA-N 2 1 361.436 4.209 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000508540330 1108949153 /nfs/dbraw/zinc/94/91/53/1108949153.db2.gz CPSKDUADWFUDBP-MRXNPFEDSA-N 2 1 368.949 4.301 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000508540330 1108949156 /nfs/dbraw/zinc/94/91/56/1108949156.db2.gz CPSKDUADWFUDBP-MRXNPFEDSA-N 2 1 368.949 4.301 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000508540330 1108949159 /nfs/dbraw/zinc/94/91/59/1108949159.db2.gz CPSKDUADWFUDBP-MRXNPFEDSA-N 2 1 368.949 4.301 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000508540330 1108949161 /nfs/dbraw/zinc/94/91/61/1108949161.db2.gz CPSKDUADWFUDBP-MRXNPFEDSA-N 2 1 368.949 4.301 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000508540328 1108949433 /nfs/dbraw/zinc/94/94/33/1108949433.db2.gz CPSKDUADWFUDBP-INIZCTEOSA-N 2 1 368.949 4.301 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000508540328 1108949437 /nfs/dbraw/zinc/94/94/37/1108949437.db2.gz CPSKDUADWFUDBP-INIZCTEOSA-N 2 1 368.949 4.301 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000508540328 1108949440 /nfs/dbraw/zinc/94/94/40/1108949440.db2.gz CPSKDUADWFUDBP-INIZCTEOSA-N 2 1 368.949 4.301 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000508540328 1108949442 /nfs/dbraw/zinc/94/94/42/1108949442.db2.gz CPSKDUADWFUDBP-INIZCTEOSA-N 2 1 368.949 4.301 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000524750885 1109137727 /nfs/dbraw/zinc/13/77/27/1109137727.db2.gz DVTPMUZUUMXOTN-KNQAVFIVSA-N 2 1 357.586 4.145 20 0 FIADMP CC1CC[NH+](Cc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)CC1 ZINC000447092409 1109433807 /nfs/dbraw/zinc/43/38/07/1109433807.db2.gz ZNHPDHDFHSUMIY-UHFFFAOYSA-N 2 1 371.550 4.294 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697386 1109481732 /nfs/dbraw/zinc/48/17/32/1109481732.db2.gz RPVFLROBUOATGO-RXVVDRJESA-N 2 1 354.519 4.197 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697386 1109481736 /nfs/dbraw/zinc/48/17/36/1109481736.db2.gz RPVFLROBUOATGO-RXVVDRJESA-N 2 1 354.519 4.197 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000525709059 1109488003 /nfs/dbraw/zinc/48/80/03/1109488003.db2.gz IXZBSGZXAIPMRD-RXVVDRJESA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000525709059 1109488005 /nfs/dbraw/zinc/48/80/05/1109488005.db2.gz IXZBSGZXAIPMRD-RXVVDRJESA-N 2 1 368.521 4.237 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C)oc3C)CC2)cs1 ZINC000447534829 1109570208 /nfs/dbraw/zinc/57/02/08/1109570208.db2.gz AILDEOXILGUSJJ-HNNXBMFYSA-N 2 1 361.555 4.478 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000447542628 1109573489 /nfs/dbraw/zinc/57/34/89/1109573489.db2.gz PFQGQVRLSJEJPU-DLBZAZTESA-N 2 1 370.493 4.291 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000447542628 1109573493 /nfs/dbraw/zinc/57/34/93/1109573493.db2.gz PFQGQVRLSJEJPU-DLBZAZTESA-N 2 1 370.493 4.291 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000447587746 1109587607 /nfs/dbraw/zinc/58/76/07/1109587607.db2.gz SBILUAMWVSMREC-OWZKRDHZSA-N 2 1 353.535 4.089 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000447587746 1109587610 /nfs/dbraw/zinc/58/76/10/1109587610.db2.gz SBILUAMWVSMREC-OWZKRDHZSA-N 2 1 353.535 4.089 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000447589943 1109588960 /nfs/dbraw/zinc/58/89/60/1109588960.db2.gz ZGFVPTLNDRZUMY-KOUNCHBCSA-N 2 1 362.517 4.470 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000447589943 1109588961 /nfs/dbraw/zinc/58/89/61/1109588961.db2.gz ZGFVPTLNDRZUMY-KOUNCHBCSA-N 2 1 362.517 4.470 20 0 FIADMP COCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000447593563 1109590254 /nfs/dbraw/zinc/59/02/54/1109590254.db2.gz SYTGBRZSBYQTOV-MXEMCNAFSA-N 2 1 354.494 4.142 20 0 FIADMP COCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000447593563 1109590258 /nfs/dbraw/zinc/59/02/58/1109590258.db2.gz SYTGBRZSBYQTOV-MXEMCNAFSA-N 2 1 354.494 4.142 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000508603030 1109606507 /nfs/dbraw/zinc/60/65/07/1109606507.db2.gz GUFHJMBZWZPYIB-IBGZPJMESA-N 2 1 373.566 4.013 20 0 FIADMP C[C@@H](CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000447725026 1109634824 /nfs/dbraw/zinc/63/48/24/1109634824.db2.gz ABGBOJQVNGVVEB-NRFANRHFSA-N 2 1 371.613 4.308 20 0 FIADMP C[C@@H](CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000447725026 1109634826 /nfs/dbraw/zinc/63/48/26/1109634826.db2.gz ABGBOJQVNGVVEB-NRFANRHFSA-N 3 1 371.613 4.308 20 0 FIADMP C[C@@H](CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000447725026 1109634828 /nfs/dbraw/zinc/63/48/28/1109634828.db2.gz ABGBOJQVNGVVEB-NRFANRHFSA-N 3 1 371.613 4.308 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448021970 1109695707 /nfs/dbraw/zinc/69/57/07/1109695707.db2.gz LUSOIOCQVBCUOF-RYFAJOAYSA-N 2 1 366.553 4.089 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000448021970 1109695710 /nfs/dbraw/zinc/69/57/10/1109695710.db2.gz LUSOIOCQVBCUOF-RYFAJOAYSA-N 2 1 366.553 4.089 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000448024084 1109696508 /nfs/dbraw/zinc/69/65/08/1109696508.db2.gz WKSNLIRPFKXRAT-FFZOFVMBSA-N 2 1 363.509 4.291 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544420490 1109750492 /nfs/dbraw/zinc/75/04/92/1109750492.db2.gz HACKYCJMUAAHLB-HSALFYBXSA-N 2 1 371.569 4.181 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544420490 1109750495 /nfs/dbraw/zinc/75/04/95/1109750495.db2.gz HACKYCJMUAAHLB-HSALFYBXSA-N 2 1 371.569 4.181 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccsc2Br)c1 ZINC000527652973 1109803283 /nfs/dbraw/zinc/80/32/83/1109803283.db2.gz HLXCLKYCWIBUPM-UHFFFAOYSA-N 2 1 353.329 4.252 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccsc2Br)c1 ZINC000527652973 1109803290 /nfs/dbraw/zinc/80/32/90/1109803290.db2.gz HLXCLKYCWIBUPM-UHFFFAOYSA-N 2 1 353.329 4.252 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000527932540 1109870475 /nfs/dbraw/zinc/87/04/75/1109870475.db2.gz NBCABMNWFLWMFT-INIZCTEOSA-N 2 1 374.495 4.255 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449025562 1109958829 /nfs/dbraw/zinc/95/88/29/1109958829.db2.gz HLJWCDWLCCDSJV-UHFFFAOYSA-N 2 1 370.497 4.137 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(CCc3ccccc3)s2)[C@@H](C)C1 ZINC000449028944 1109959573 /nfs/dbraw/zinc/95/95/73/1109959573.db2.gz NHULIUGHTDNGAC-FXAWDEMLSA-N 2 1 357.567 4.090 20 0 FIADMP c1c2cccnc2oc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449034609 1109961255 /nfs/dbraw/zinc/96/12/55/1109961255.db2.gz CYKHMXZUTUBUKF-UHFFFAOYSA-N 2 1 361.489 4.316 20 0 FIADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000449043898 1109966568 /nfs/dbraw/zinc/96/65/68/1109966568.db2.gz AJEDRZVTLKMUHV-FGCOXFRFSA-N 2 1 364.533 4.346 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449081243 1109975037 /nfs/dbraw/zinc/97/50/37/1109975037.db2.gz DAQHGRLKLLLLDK-VXKWHMMOSA-N 3 1 371.613 4.326 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000449081243 1109975041 /nfs/dbraw/zinc/97/50/41/1109975041.db2.gz DAQHGRLKLLLLDK-VXKWHMMOSA-N 2 1 371.613 4.326 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449081243 1109975042 /nfs/dbraw/zinc/97/50/42/1109975042.db2.gz DAQHGRLKLLLLDK-VXKWHMMOSA-N 2 1 371.613 4.326 20 0 FIADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449097535 1109975586 /nfs/dbraw/zinc/97/55/86/1109975586.db2.gz LXNLLCMOGWLOJY-QGZVFWFLSA-N 2 1 367.306 4.182 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449088921 1109978023 /nfs/dbraw/zinc/97/80/23/1109978023.db2.gz JCQPDFOFIYTXET-UHFFFAOYSA-N 2 1 366.278 4.019 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449092102 1109978926 /nfs/dbraw/zinc/97/89/26/1109978926.db2.gz LHGMOZBZCZCZFW-HLIUYOAVSA-N 2 1 369.322 4.156 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c(OC)cccc23)[C@@H](C)C1 ZINC000449137083 1109983977 /nfs/dbraw/zinc/98/39/77/1109983977.db2.gz DJJXNOLKXCRUQB-PGRDOPGGSA-N 2 1 370.537 4.075 20 0 FIADMP COC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143888 1109985060 /nfs/dbraw/zinc/98/50/60/1109985060.db2.gz YANZVHBNWQQUNB-XXBNENTESA-N 2 1 352.522 4.059 20 0 FIADMP C[N@H+](Cc1cccnc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1 ZINC000528415933 1109986376 /nfs/dbraw/zinc/98/63/76/1109986376.db2.gz JGOMGAVCJFOEJA-UHFFFAOYSA-N 2 1 363.427 4.197 20 0 FIADMP C[N@@H+](Cc1cccnc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1 ZINC000528415933 1109986377 /nfs/dbraw/zinc/98/63/77/1109986377.db2.gz JGOMGAVCJFOEJA-UHFFFAOYSA-N 2 1 363.427 4.197 20 0 FIADMP COc1cccc2c(C[NH2+]C3CCN(c4ccc(C)c[nH+]4)CC3)cccc12 ZINC000449165973 1109990745 /nfs/dbraw/zinc/99/07/45/1109990745.db2.gz YPSQKKRFPAFKDD-UHFFFAOYSA-N 2 1 361.489 4.310 20 0 FIADMP CC(C)COc1ccccc1CNC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000449209335 1109995897 /nfs/dbraw/zinc/99/58/97/1109995897.db2.gz PLGOTSCGYWJOQC-LJQANCHMSA-N 2 1 367.537 4.432 20 0 FIADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343040 1110034699 /nfs/dbraw/zinc/03/46/99/1110034699.db2.gz HFXDGLUAUMKDHU-FPOVZHCZSA-N 2 1 358.570 4.330 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342831 1110034812 /nfs/dbraw/zinc/03/48/12/1110034812.db2.gz FPURWCPKRWRPQF-FGZHOGPDSA-N 2 1 356.554 4.084 20 0 FIADMP CC1(C)C[N@@H+](CC2CCOCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413040 1110055238 /nfs/dbraw/zinc/05/52/38/1110055238.db2.gz HGWBWLXVAZHCOQ-QFIPXVFZSA-N 2 1 356.554 4.036 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449402592 1110058523 /nfs/dbraw/zinc/05/85/23/1110058523.db2.gz RUEYPHOOSNMRFA-DOTOQJQBSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449402592 1110058526 /nfs/dbraw/zinc/05/85/26/1110058526.db2.gz RUEYPHOOSNMRFA-DOTOQJQBSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449436840 1110078414 /nfs/dbraw/zinc/07/84/14/1110078414.db2.gz HFDZGWKALGWCRJ-MAUKXSAKSA-N 2 1 363.427 4.243 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449436840 1110078419 /nfs/dbraw/zinc/07/84/19/1110078419.db2.gz HFDZGWKALGWCRJ-MAUKXSAKSA-N 2 1 363.427 4.243 20 0 FIADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000449437463 1110078995 /nfs/dbraw/zinc/07/89/95/1110078995.db2.gz LOTKELWSWHLZPD-YOEHRIQHSA-N 2 1 355.448 4.233 20 0 FIADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccccc2)cc1OC ZINC000449554493 1110108925 /nfs/dbraw/zinc/10/89/25/1110108925.db2.gz BRESVHWLEVVWEQ-IHWFROFDSA-N 2 1 366.505 4.086 20 0 FIADMP CC(C)[N@@H+](C)CC1CCN(Cc2ncc(Cl)cc2Br)CC1 ZINC000529526202 1110283712 /nfs/dbraw/zinc/28/37/12/1110283712.db2.gz IJGFEFJVEOZTHW-UHFFFAOYSA-N 2 1 374.754 4.050 20 0 FIADMP C[C@H](c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1)C(F)(F)F ZINC000450599895 1110318376 /nfs/dbraw/zinc/31/83/76/1110318376.db2.gz LXSCPGWJCAMUJQ-DQEVTTJGSA-N 2 1 370.459 4.036 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCCC1(F)F ZINC000450644134 1110322211 /nfs/dbraw/zinc/32/22/11/1110322211.db2.gz BBCWLUFYNXBTPK-GOSISDBHSA-N 2 1 351.485 4.445 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC000538523863 1111171423 /nfs/dbraw/zinc/17/14/23/1111171423.db2.gz QYZADHQXONOHJG-NQIIRXRSSA-N 2 1 350.506 4.327 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC000538523863 1111171426 /nfs/dbraw/zinc/17/14/26/1111171426.db2.gz QYZADHQXONOHJG-NQIIRXRSSA-N 2 1 350.506 4.327 20 0 FIADMP Clc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000538721684 1111262227 /nfs/dbraw/zinc/26/22/27/1111262227.db2.gz YCEYBDNMIQVUQN-UHFFFAOYSA-N 2 1 357.325 4.070 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796538 1111293898 /nfs/dbraw/zinc/29/38/98/1111293898.db2.gz KMWCLUPCKLAABL-WTIAFYNJSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796538 1111293902 /nfs/dbraw/zinc/29/39/02/1111293902.db2.gz KMWCLUPCKLAABL-WTIAFYNJSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796535 1111294019 /nfs/dbraw/zinc/29/40/19/1111294019.db2.gz KMWCLUPCKLAABL-OIBXWCBGSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796535 1111294020 /nfs/dbraw/zinc/29/40/20/1111294020.db2.gz KMWCLUPCKLAABL-OIBXWCBGSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799088 1111295457 /nfs/dbraw/zinc/29/54/57/1111295457.db2.gz MMWQXXMXTUHTMH-AHRSYUTCSA-N 2 1 374.525 4.238 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799088 1111295459 /nfs/dbraw/zinc/29/54/59/1111295459.db2.gz MMWQXXMXTUHTMH-AHRSYUTCSA-N 2 1 374.525 4.238 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000461794487 1111358933 /nfs/dbraw/zinc/35/89/33/1111358933.db2.gz GXSCATROTUREIH-GUDVDZBRSA-N 2 1 365.359 4.377 20 0 FIADMP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000539065734 1111415596 /nfs/dbraw/zinc/41/55/96/1111415596.db2.gz KMMLLDWPWJKXOZ-HTAPYJJXSA-N 2 1 356.485 4.156 20 0 FIADMP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000539090046 1111426833 /nfs/dbraw/zinc/42/68/33/1111426833.db2.gz YGHGQWVMJZZNRJ-QVKFZJNVSA-N 2 1 353.441 4.358 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000552062591 1111562959 /nfs/dbraw/zinc/56/29/59/1111562959.db2.gz AGTKBNUBJBPMJL-BJESRGMDSA-N 2 1 368.565 4.369 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000552062590 1111563010 /nfs/dbraw/zinc/56/30/10/1111563010.db2.gz AGTKBNUBJBPMJL-AFXVXQJMSA-N 2 1 368.565 4.369 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000552067386 1111565587 /nfs/dbraw/zinc/56/55/87/1111565587.db2.gz IGUTUHUGTUSKFG-HDJSHQJTSA-N 2 1 356.554 4.224 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552110670 1111580652 /nfs/dbraw/zinc/58/06/52/1111580652.db2.gz ZAPFDWHKJMQKNQ-ZRNYNZGJSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552110670 1111580653 /nfs/dbraw/zinc/58/06/53/1111580653.db2.gz ZAPFDWHKJMQKNQ-ZRNYNZGJSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552110670 1111580656 /nfs/dbraw/zinc/58/06/56/1111580656.db2.gz ZAPFDWHKJMQKNQ-ZRNYNZGJSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552110670 1111580658 /nfs/dbraw/zinc/58/06/58/1111580658.db2.gz ZAPFDWHKJMQKNQ-ZRNYNZGJSA-N 2 1 350.453 4.109 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477869549 1111591068 /nfs/dbraw/zinc/59/10/68/1111591068.db2.gz XUSZAONIWSWPDE-XHBSWPGZSA-N 2 1 354.325 4.336 20 0 FIADMP COCCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000552325641 1111670416 /nfs/dbraw/zinc/67/04/16/1111670416.db2.gz XVSMJLLTFXMPCQ-YNVMFWSZSA-N 2 1 352.950 4.169 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000552318320 1111676500 /nfs/dbraw/zinc/67/65/00/1111676500.db2.gz WZDUZUWSZCHQGS-UIAACRFSSA-N 2 1 350.934 4.128 20 0 FIADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2ccc(C(=O)OC)o2)CC1)CC(C)C ZINC000552858814 1111833740 /nfs/dbraw/zinc/83/37/40/1111833740.db2.gz MOIJPEWRVZXCEG-KRWDZBQOSA-N 2 1 364.530 4.207 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000479055248 1111937884 /nfs/dbraw/zinc/93/78/84/1111937884.db2.gz GXTOKFXUXLOGOY-YRNRMSPPSA-N 2 1 354.485 4.141 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479198904 1111964395 /nfs/dbraw/zinc/96/43/95/1111964395.db2.gz YFQVGURSOYKOPY-KSFYIVLOSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479198904 1111964397 /nfs/dbraw/zinc/96/43/97/1111964397.db2.gz YFQVGURSOYKOPY-KSFYIVLOSA-N 2 1 370.924 4.338 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479294758 1111987162 /nfs/dbraw/zinc/98/71/62/1111987162.db2.gz JSNVSSQSSNRZHI-HXUWFJFHSA-N 2 1 371.322 4.390 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358114 1111998069 /nfs/dbraw/zinc/99/80/69/1111998069.db2.gz ITJOBOOUQXSMCA-DYVFJYSZSA-N 2 1 351.332 4.103 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000479335856 1111999041 /nfs/dbraw/zinc/99/90/41/1111999041.db2.gz MWSWXZBFGCJHSM-DAYGRLMNSA-N 2 1 363.343 4.388 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000479396243 1112012053 /nfs/dbraw/zinc/01/20/53/1112012053.db2.gz VBGADQANYJCDLY-ACRUOGEOSA-N 2 1 366.496 4.019 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449107 1112026954 /nfs/dbraw/zinc/02/69/54/1112026954.db2.gz UGCLSARJYOXCSM-NQIIRXRSSA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449107 1112026957 /nfs/dbraw/zinc/02/69/57/1112026957.db2.gz UGCLSARJYOXCSM-NQIIRXRSSA-N 2 1 358.913 4.139 20 0 FIADMP C[C@@H](CC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)[NH+]1CCCCC1 ZINC000479452152 1112028240 /nfs/dbraw/zinc/02/82/40/1112028240.db2.gz IBXLXNHERALPHB-GHTZIAJQSA-N 2 1 352.526 4.104 20 0 FIADMP C[C@@H](CC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)[NH+]1CCCCC1 ZINC000479452156 1112028339 /nfs/dbraw/zinc/02/83/39/1112028339.db2.gz IBXLXNHERALPHB-RXVVDRJESA-N 2 1 352.526 4.104 20 0 FIADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000479601688 1112083052 /nfs/dbraw/zinc/08/30/52/1112083052.db2.gz HMNVUVFRDMIJGH-UHFFFAOYSA-N 2 1 358.555 4.339 20 0 FIADMP c1cc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667530776 1112094684 /nfs/dbraw/zinc/09/46/84/1112094684.db2.gz KWWNYOWSARLVHT-GOSISDBHSA-N 2 1 357.461 4.128 20 0 FIADMP c1cc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667530776 1112094689 /nfs/dbraw/zinc/09/46/89/1112094689.db2.gz KWWNYOWSARLVHT-GOSISDBHSA-N 2 1 357.461 4.128 20 0 FIADMP CCc1ccc([C@H](CC)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000479875407 1112173880 /nfs/dbraw/zinc/17/38/80/1112173880.db2.gz QLRNLECEDZTKPS-QHCPKHFHSA-N 2 1 352.522 4.322 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1N(C)C ZINC000479867574 1112180707 /nfs/dbraw/zinc/18/07/07/1112180707.db2.gz VRIWPWGDKMDJCJ-KRWDZBQOSA-N 2 1 355.501 4.207 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907151 1112192973 /nfs/dbraw/zinc/19/29/73/1112192973.db2.gz AYGYFLSRBSIGDE-IRXDYDNUSA-N 2 1 358.505 4.235 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907151 1112192985 /nfs/dbraw/zinc/19/29/85/1112192985.db2.gz AYGYFLSRBSIGDE-IRXDYDNUSA-N 2 1 358.505 4.235 20 0 FIADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480022873 1112235577 /nfs/dbraw/zinc/23/55/77/1112235577.db2.gz VZMOFSKHZKPDOL-HSALFYBXSA-N 2 1 352.522 4.455 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000480167123 1112313176 /nfs/dbraw/zinc/31/31/76/1112313176.db2.gz HPTYLTGRGXKURK-OAHLLOKOSA-N 2 1 360.933 4.359 20 0 FIADMP COc1cc(F)c([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000480253445 1112351373 /nfs/dbraw/zinc/35/13/73/1112351373.db2.gz GVLZVYFTOOBDOM-OAHLLOKOSA-N 2 1 352.494 4.148 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H]1C ZINC000667664286 1112395070 /nfs/dbraw/zinc/39/50/70/1112395070.db2.gz HPQJNSKXAXOQOY-APWZRJJASA-N 2 1 357.473 4.318 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000480552496 1112472521 /nfs/dbraw/zinc/47/25/21/1112472521.db2.gz OEAQIMMEIADHFZ-HNNXBMFYSA-N 2 1 356.913 4.363 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554840978 1112517564 /nfs/dbraw/zinc/51/75/64/1112517564.db2.gz KXLLJDDTJVOIFN-HXUWFJFHSA-N 2 1 374.569 4.389 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554840978 1112517571 /nfs/dbraw/zinc/51/75/71/1112517571.db2.gz KXLLJDDTJVOIFN-HXUWFJFHSA-N 2 1 374.569 4.389 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645941 1112519733 /nfs/dbraw/zinc/51/97/33/1112519733.db2.gz YFCKGCXDUKPTJN-HYVLGVRCSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645941 1112519736 /nfs/dbraw/zinc/51/97/36/1112519736.db2.gz YFCKGCXDUKPTJN-HYVLGVRCSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645941 1112519740 /nfs/dbraw/zinc/51/97/40/1112519740.db2.gz YFCKGCXDUKPTJN-HYVLGVRCSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645941 1112519742 /nfs/dbraw/zinc/51/97/42/1112519742.db2.gz YFCKGCXDUKPTJN-HYVLGVRCSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480645941 1112519744 /nfs/dbraw/zinc/51/97/44/1112519744.db2.gz YFCKGCXDUKPTJN-HYVLGVRCSA-N 3 1 371.613 4.245 20 0 FIADMP Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000554858678 1112533223 /nfs/dbraw/zinc/53/32/23/1112533223.db2.gz UDBLIZNJJBUCAE-BJKOFHAPSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000554858678 1112533227 /nfs/dbraw/zinc/53/32/27/1112533227.db2.gz UDBLIZNJJBUCAE-BJKOFHAPSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554858678 1112533231 /nfs/dbraw/zinc/53/32/31/1112533231.db2.gz UDBLIZNJJBUCAE-BJKOFHAPSA-N 2 1 363.549 4.309 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc(F)cc1 ZINC000480698271 1112560142 /nfs/dbraw/zinc/56/01/42/1112560142.db2.gz NHRXTROGMVNPET-HSZRJFAPSA-N 2 1 369.528 4.204 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc(F)cc1 ZINC000480698272 1112560347 /nfs/dbraw/zinc/56/03/47/1112560347.db2.gz NHRXTROGMVNPET-QHCPKHFHSA-N 2 1 369.528 4.204 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)CC[N@@H+]1C ZINC000480711088 1112564928 /nfs/dbraw/zinc/56/49/28/1112564928.db2.gz PKRFRLMBJPQQHO-ZMYBRWDISA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)CC[N@H+]1C ZINC000480711088 1112564933 /nfs/dbraw/zinc/56/49/33/1112564933.db2.gz PKRFRLMBJPQQHO-ZMYBRWDISA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480744285 1112583313 /nfs/dbraw/zinc/58/33/13/1112583313.db2.gz YFLYOXDUVBMKPJ-XNISGKROSA-N 2 1 357.325 4.366 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000480755254 1112588473 /nfs/dbraw/zinc/58/84/73/1112588473.db2.gz GNGLXXYPOSAXAS-MELADBBJSA-N 2 1 357.325 4.223 20 0 FIADMP CCCc1csc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000554980407 1112596744 /nfs/dbraw/zinc/59/67/44/1112596744.db2.gz AIXXKMJHHOHMTL-LJQANCHMSA-N 2 1 357.567 4.488 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308036 1112881310 /nfs/dbraw/zinc/88/13/10/1112881310.db2.gz AFOPMMRLTRKIRB-AVRDEDQJSA-N 2 1 356.485 4.050 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000481331035 1112903571 /nfs/dbraw/zinc/90/35/71/1112903571.db2.gz HJEZLVSIZZPSOD-QGZVFWFLSA-N 2 1 356.485 4.458 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC3CCCC3)cc2)CC1 ZINC000481410440 1112931928 /nfs/dbraw/zinc/93/19/28/1112931928.db2.gz CBSQDYMDKFNBTL-KRWDZBQOSA-N 2 1 362.583 4.483 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000481418476 1112936644 /nfs/dbraw/zinc/93/66/44/1112936644.db2.gz LDSPMBVWEXLIOA-ATZDWAIDSA-N 2 1 371.491 4.018 20 0 FIADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cnn1-c1cc(C)ccc1C ZINC000481442000 1112943969 /nfs/dbraw/zinc/94/39/69/1112943969.db2.gz HPZPMTVWUXLDMP-SFHVURJKSA-N 2 1 366.553 4.465 20 0 FIADMP Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618215 1112950190 /nfs/dbraw/zinc/95/01/90/1112950190.db2.gz FBHRDQKHMIOMFA-QHCPKHFHSA-N 2 1 364.533 4.013 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000481553218 1112975757 /nfs/dbraw/zinc/97/57/57/1112975757.db2.gz RPTNXQZUTJNEJV-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)c1 ZINC000481553218 1112975758 /nfs/dbraw/zinc/97/57/58/1112975758.db2.gz RPTNXQZUTJNEJV-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481586610 1112986883 /nfs/dbraw/zinc/98/68/83/1112986883.db2.gz YJYBRJYGXZXNPJ-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000481586610 1112986885 /nfs/dbraw/zinc/98/68/85/1112986885.db2.gz YJYBRJYGXZXNPJ-WOJBJXKFSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000481724804 1113055061 /nfs/dbraw/zinc/05/50/61/1113055061.db2.gz HYDOTSXJEQLXQG-AWEZNQCLSA-N 2 1 350.865 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000481724322 1113055927 /nfs/dbraw/zinc/05/59/27/1113055927.db2.gz HCDHCLYXIZTPKB-AUSIDOKSSA-N 2 1 359.517 4.278 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H](c4ccccc4F)C3)sc2C1 ZINC000481807350 1113084510 /nfs/dbraw/zinc/08/45/10/1113084510.db2.gz BYNFQGVYOREEFH-JKSUJKDBSA-N 2 1 373.541 4.475 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC[C@H](c4ccccc4F)C3)sc2C1 ZINC000481807350 1113084511 /nfs/dbraw/zinc/08/45/11/1113084511.db2.gz BYNFQGVYOREEFH-JKSUJKDBSA-N 2 1 373.541 4.475 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556050755 1113126879 /nfs/dbraw/zinc/12/68/79/1113126879.db2.gz KKPTVVSFSHBPND-KNXBSLHKSA-N 2 1 351.494 4.131 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556050755 1113126882 /nfs/dbraw/zinc/12/68/82/1113126882.db2.gz KKPTVVSFSHBPND-KNXBSLHKSA-N 2 1 351.494 4.131 20 0 FIADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000481947676 1113142295 /nfs/dbraw/zinc/14/22/95/1113142295.db2.gz NFGVAJLGMKAEGI-QDSKXPNFSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000481947677 1113142426 /nfs/dbraw/zinc/14/24/26/1113142426.db2.gz NFGVAJLGMKAEGI-ZTCOLXNVSA-N 2 1 365.565 4.098 20 0 FIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000481947674 1113142507 /nfs/dbraw/zinc/14/25/07/1113142507.db2.gz NFGVAJLGMKAEGI-HUVFLSCGSA-N 2 1 365.565 4.098 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000482076173 1113171984 /nfs/dbraw/zinc/17/19/84/1113171984.db2.gz CTWAVPBLZWTTGH-OXQOHEQNSA-N 2 1 357.567 4.057 20 0 FIADMP CCc1cccc(CC)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482120135 1113181016 /nfs/dbraw/zinc/18/10/16/1113181016.db2.gz AHMDKGGKLWEMRN-RTWAWAEBSA-N 2 1 373.585 4.240 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000482339591 1113229495 /nfs/dbraw/zinc/22/94/95/1113229495.db2.gz VRUXCEIQJXEZJM-HYBUGGRVSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000482339591 1113229496 /nfs/dbraw/zinc/22/94/96/1113229496.db2.gz VRUXCEIQJXEZJM-HYBUGGRVSA-N 3 1 365.565 4.139 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000482339591 1113229497 /nfs/dbraw/zinc/22/94/97/1113229497.db2.gz VRUXCEIQJXEZJM-HYBUGGRVSA-N 3 1 365.565 4.139 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000482339591 1113229498 /nfs/dbraw/zinc/22/94/98/1113229498.db2.gz VRUXCEIQJXEZJM-HYBUGGRVSA-N 2 1 365.565 4.139 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000482339591 1113229499 /nfs/dbraw/zinc/22/94/99/1113229499.db2.gz VRUXCEIQJXEZJM-HYBUGGRVSA-N 2 1 365.565 4.139 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000482345929 1113230789 /nfs/dbraw/zinc/23/07/89/1113230789.db2.gz SURIJBXDBAMLFI-SCLBCKFNSA-N 2 1 369.322 4.286 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441434 1113257398 /nfs/dbraw/zinc/25/73/98/1113257398.db2.gz VBGJVNANOBGTBG-IFMALSPDSA-N 2 1 374.532 4.088 20 0 FIADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482445204 1113259062 /nfs/dbraw/zinc/25/90/62/1113259062.db2.gz AQDWNMJARJFAAJ-CTNGQTDRSA-N 2 1 352.522 4.301 20 0 FIADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453643 1113264321 /nfs/dbraw/zinc/26/43/21/1113264321.db2.gz CGCAISJRRAVAOE-XZOQPEGZSA-N 2 1 352.522 4.282 20 0 FIADMP COCCN(C)CC[C@H]([NH2+][C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453643 1113264325 /nfs/dbraw/zinc/26/43/25/1113264325.db2.gz CGCAISJRRAVAOE-XZOQPEGZSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453643 1113264329 /nfs/dbraw/zinc/26/43/29/1113264329.db2.gz CGCAISJRRAVAOE-XZOQPEGZSA-N 2 1 352.522 4.282 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCc2c1cccc2C)c1ccccc1 ZINC000482453643 1113264335 /nfs/dbraw/zinc/26/43/35/1113264335.db2.gz CGCAISJRRAVAOE-XZOQPEGZSA-N 2 1 352.522 4.282 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000482462127 1113268569 /nfs/dbraw/zinc/26/85/69/1113268569.db2.gz UVTZSSFLJFSYGV-YADARESESA-N 2 1 374.532 4.028 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)c2ccccc12 ZINC000482555394 1113298423 /nfs/dbraw/zinc/29/84/23/1113298423.db2.gz LSUMKHDUCDHDNH-GOSISDBHSA-N 2 1 368.521 4.144 20 0 FIADMP CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000668084840 1113305318 /nfs/dbraw/zinc/30/53/18/1113305318.db2.gz YEVDLMFDHMZYSV-UHFFFAOYSA-N 2 1 353.510 4.306 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cc2c1 ZINC000482758665 1113354163 /nfs/dbraw/zinc/35/41/63/1113354163.db2.gz GWCKJLXTTMUTJI-LJQANCHMSA-N 2 1 364.489 4.096 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cc2c1 ZINC000482758665 1113354167 /nfs/dbraw/zinc/35/41/67/1113354167.db2.gz GWCKJLXTTMUTJI-LJQANCHMSA-N 2 1 364.489 4.096 20 0 FIADMP Cc1sc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1C(C)C ZINC000482874158 1113385246 /nfs/dbraw/zinc/38/52/46/1113385246.db2.gz XXMMCEXJRXMSTB-HNNXBMFYSA-N 2 1 361.555 4.366 20 0 FIADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000482873125 1113385462 /nfs/dbraw/zinc/38/54/62/1113385462.db2.gz KELPWFXHHMLAIO-LEWJYISDSA-N 2 1 372.578 4.167 20 0 FIADMP Cc1sc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)nc1C(C)C ZINC000482874159 1113385625 /nfs/dbraw/zinc/38/56/25/1113385625.db2.gz XXMMCEXJRXMSTB-OAHLLOKOSA-N 2 1 361.555 4.366 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2cccs2)cc1 ZINC000482898713 1113394878 /nfs/dbraw/zinc/39/48/78/1113394878.db2.gz ZLAPUQWUVSUCBJ-XLIONFOSSA-N 2 1 358.551 4.303 20 0 FIADMP Cc1ccncc1C[NH+](C)Cc1cccc(C[N@H+](C)Cc2cnccc2C)c1 ZINC000483014980 1113425201 /nfs/dbraw/zinc/42/52/01/1113425201.db2.gz HENHPYLHSQETIJ-UHFFFAOYSA-N 2 1 374.532 4.357 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)[C@H](C)C1 ZINC000483151711 1113455946 /nfs/dbraw/zinc/45/59/46/1113455946.db2.gz HHCVUOXTHHWUBR-HBFSDRIKSA-N 2 1 350.522 4.230 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183423 1113459159 /nfs/dbraw/zinc/45/91/59/1113459159.db2.gz ZWIUJYVUDKOKBV-KVSKMBFKSA-N 2 1 372.475 4.493 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183423 1113459161 /nfs/dbraw/zinc/45/91/61/1113459161.db2.gz ZWIUJYVUDKOKBV-KVSKMBFKSA-N 2 1 372.475 4.493 20 0 FIADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299408 1113482965 /nfs/dbraw/zinc/48/29/65/1113482965.db2.gz XPMCLNUPLSXPQN-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299408 1113482968 /nfs/dbraw/zinc/48/29/68/1113482968.db2.gz XPMCLNUPLSXPQN-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299408 1113482970 /nfs/dbraw/zinc/48/29/70/1113482970.db2.gz XPMCLNUPLSXPQN-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299408 1113482972 /nfs/dbraw/zinc/48/29/72/1113482972.db2.gz XPMCLNUPLSXPQN-INIZCTEOSA-N 2 1 360.448 4.389 20 0 FIADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489711 1113577553 /nfs/dbraw/zinc/57/75/53/1113577553.db2.gz OTAFVMHKPXCQQQ-APWZRJJASA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489711 1113577557 /nfs/dbraw/zinc/57/75/57/1113577557.db2.gz OTAFVMHKPXCQQQ-APWZRJJASA-N 2 1 358.913 4.349 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486511424 1113585041 /nfs/dbraw/zinc/58/50/41/1113585041.db2.gz ZBNHCLCLSJMNNH-WIYYLYMNSA-N 2 1 360.505 4.077 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486511424 1113585042 /nfs/dbraw/zinc/58/50/42/1113585042.db2.gz ZBNHCLCLSJMNNH-WIYYLYMNSA-N 2 1 360.505 4.077 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713662 1113680594 /nfs/dbraw/zinc/68/05/94/1113680594.db2.gz XAIXGMZKMHSPEF-SIKLNZKXSA-N 2 1 364.533 4.215 20 0 FIADMP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000486960900 1113687646 /nfs/dbraw/zinc/68/76/46/1113687646.db2.gz AKLIUNBOELADIL-UHFFFAOYSA-N 2 1 356.485 4.287 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279749 1114014984 /nfs/dbraw/zinc/01/49/84/1114014984.db2.gz XPSJLPYMENQRRT-RTWAWAEBSA-N 2 1 362.517 4.340 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCOc4ccccc43)CC23CC3)cc1 ZINC000570279749 1114014989 /nfs/dbraw/zinc/01/49/89/1114014989.db2.gz XPSJLPYMENQRRT-RTWAWAEBSA-N 2 1 362.517 4.340 20 0 FIADMP C[C@@H]1[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489912910 1114191833 /nfs/dbraw/zinc/19/18/33/1114191833.db2.gz XLDZSBFDLPZACK-XXBNENTESA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000489912910 1114191835 /nfs/dbraw/zinc/19/18/35/1114191835.db2.gz XLDZSBFDLPZACK-XXBNENTESA-N 2 1 355.570 4.036 20 0 FIADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3c(O)cccc3Cl)cc2)CC1 ZINC000151373455 1114355365 /nfs/dbraw/zinc/35/53/65/1114355365.db2.gz ZRWABWGSHUSCER-UHFFFAOYSA-N 2 1 373.928 4.436 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212144672 1114415069 /nfs/dbraw/zinc/41/50/69/1114415069.db2.gz AMQRGQVAXHVMIY-ZDUSSCGKSA-N 2 1 357.285 4.212 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001212144835 1114415103 /nfs/dbraw/zinc/41/51/03/1114415103.db2.gz FNGOBTYVJPEGTO-AWEZNQCLSA-N 2 1 357.285 4.212 20 0 FIADMP COc1ccc2c(cccc2-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145440 1114429075 /nfs/dbraw/zinc/42/90/75/1114429075.db2.gz VALGESMKJRMOKC-IBGZPJMESA-N 2 1 368.481 4.067 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001212145551 1114432124 /nfs/dbraw/zinc/43/21/24/1114432124.db2.gz WNTGPMNBJZCCNR-AWEZNQCLSA-N 2 1 374.382 4.063 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001212145549 1114432268 /nfs/dbraw/zinc/43/22/68/1114432268.db2.gz WJHZNRMWVNBFDH-AWEZNQCLSA-N 2 1 374.382 4.063 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001212145587 1114433662 /nfs/dbraw/zinc/43/36/62/1114433662.db2.gz XUCNUBJOORVMNE-AWEZNQCLSA-N 2 1 357.285 4.212 20 0 FIADMP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC000588178646 1114549700 /nfs/dbraw/zinc/54/97/00/1114549700.db2.gz IGKFTHYTSSGFTI-UHFFFAOYSA-N 2 1 367.320 4.376 20 0 FIADMP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000588178123 1114549783 /nfs/dbraw/zinc/54/97/83/1114549783.db2.gz NXAOYWJWPUEOAL-ACSPXDACSA-N 2 1 350.506 4.100 20 0 FIADMP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000588178123 1114549787 /nfs/dbraw/zinc/54/97/87/1114549787.db2.gz NXAOYWJWPUEOAL-ACSPXDACSA-N 2 1 350.506 4.100 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686300 1114599026 /nfs/dbraw/zinc/59/90/26/1114599026.db2.gz COIXBOWPOLILHN-LEWJYISDSA-N 2 1 360.929 4.120 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686300 1114599028 /nfs/dbraw/zinc/59/90/28/1114599028.db2.gz COIXBOWPOLILHN-LEWJYISDSA-N 2 1 360.929 4.120 20 0 FIADMP CCCc1nc(C)c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000572487640 1114649779 /nfs/dbraw/zinc/64/97/79/1114649779.db2.gz MPPZPXAODJEZJE-KRWDZBQOSA-N 2 1 361.555 4.259 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589641808 1114819937 /nfs/dbraw/zinc/81/99/37/1114819937.db2.gz RVEIIZLGRUVTAL-HDICACEKSA-N 2 1 362.521 4.331 20 0 FIADMP COc1ccc(C)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998752 1114872485 /nfs/dbraw/zinc/87/24/85/1114872485.db2.gz HYBYCVUHRNFZPV-UHFFFAOYSA-N 2 1 352.522 4.348 20 0 FIADMP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)ccc1F ZINC000590786166 1114974244 /nfs/dbraw/zinc/97/42/44/1114974244.db2.gz DSFZRUAFWKAAHE-MRXNPFEDSA-N 2 1 374.504 4.297 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000590786650 1114974432 /nfs/dbraw/zinc/97/44/32/1114974432.db2.gz LFJOUBQACHZEJH-UHFFFAOYSA-N 2 1 359.341 4.424 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000573487635 1115130822 /nfs/dbraw/zinc/13/08/22/1115130822.db2.gz IULAHSZCLWRLLZ-OAQYLSRUSA-N 2 1 356.554 4.370 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000573487635 1115130826 /nfs/dbraw/zinc/13/08/26/1115130826.db2.gz IULAHSZCLWRLLZ-OAQYLSRUSA-N 2 1 356.554 4.370 20 0 FIADMP Fc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168401468 1115175182 /nfs/dbraw/zinc/17/51/82/1115175182.db2.gz WXAHNBUWDKXYGI-AUSIDOKSSA-N 2 1 352.497 4.185 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000191500371 1115220112 /nfs/dbraw/zinc/22/01/12/1115220112.db2.gz NPDOFZBCJJXXLZ-UHFFFAOYSA-N 2 1 367.493 4.081 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000191500371 1115220116 /nfs/dbraw/zinc/22/01/16/1115220116.db2.gz NPDOFZBCJJXXLZ-UHFFFAOYSA-N 2 1 367.493 4.081 20 0 FIADMP CCC[N@H+](Cc1c(C)nsc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000573980059 1115227654 /nfs/dbraw/zinc/22/76/54/1115227654.db2.gz XOSCYPKBGOUSSZ-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP CCC[N@@H+](Cc1c(C)nsc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000573980059 1115227655 /nfs/dbraw/zinc/22/76/55/1115227655.db2.gz XOSCYPKBGOUSSZ-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498412254 1115231754 /nfs/dbraw/zinc/23/17/54/1115231754.db2.gz HDPRQIMRKUYTOW-AOMKIAJQSA-N 2 1 360.461 4.348 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000574045143 1115286697 /nfs/dbraw/zinc/28/66/97/1115286697.db2.gz OQHUKFPVVAXVFY-UHFFFAOYSA-N 2 1 360.571 4.134 20 0 FIADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)C1CCCCC1 ZINC000593720236 1115339955 /nfs/dbraw/zinc/33/99/55/1115339955.db2.gz QMKDFMVHJIEUKS-MZNJEOGPSA-N 2 1 350.572 4.119 20 0 FIADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)C1CCCCC1 ZINC000593720236 1115339958 /nfs/dbraw/zinc/33/99/58/1115339958.db2.gz QMKDFMVHJIEUKS-MZNJEOGPSA-N 2 1 350.572 4.119 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593689353 1115342400 /nfs/dbraw/zinc/34/24/00/1115342400.db2.gz HVKNVIYGIWOJJL-PMACEKPBSA-N 2 1 358.526 4.019 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982733 1115775251 /nfs/dbraw/zinc/77/52/51/1115775251.db2.gz YRRRQVYFWIHYPG-KFKAGJAMSA-N 2 1 358.526 4.019 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982733 1115775253 /nfs/dbraw/zinc/77/52/53/1115775253.db2.gz YRRRQVYFWIHYPG-KFKAGJAMSA-N 2 1 358.526 4.019 20 0 FIADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000669703971 1115831435 /nfs/dbraw/zinc/83/14/35/1115831435.db2.gz ZUTIUHNIKAXKHO-XZCBWCRCSA-N 2 1 356.554 4.082 20 0 FIADMP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000171604542 1115872698 /nfs/dbraw/zinc/87/26/98/1115872698.db2.gz IXOWMOFADRCWLF-UHFFFAOYSA-N 2 1 367.868 4.121 20 0 FIADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000171604542 1115872701 /nfs/dbraw/zinc/87/27/01/1115872701.db2.gz IXOWMOFADRCWLF-UHFFFAOYSA-N 2 1 367.868 4.121 20 0 FIADMP CC(C)CCn1cccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000606469828 1115948076 /nfs/dbraw/zinc/94/80/76/1115948076.db2.gz PZBFDACXLHNKGN-JOCHJYFZSA-N 2 1 353.554 4.188 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168422691 1116004553 /nfs/dbraw/zinc/00/45/53/1116004553.db2.gz ZUWWLVOCIKQKEL-ZQMYSKGWSA-N 2 1 352.497 4.183 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168422691 1116004556 /nfs/dbraw/zinc/00/45/56/1116004556.db2.gz ZUWWLVOCIKQKEL-ZQMYSKGWSA-N 2 1 352.497 4.183 20 0 FIADMP COc1ccccc1-c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000608065487 1116080304 /nfs/dbraw/zinc/08/03/04/1116080304.db2.gz XFDFCMSWZCKYJB-SEJPIABJSA-N 2 1 350.506 4.467 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000539682150 1116364087 /nfs/dbraw/zinc/36/40/87/1116364087.db2.gz JCHIDOGGFMNFLC-FGZHOGPDSA-N 2 1 362.533 4.016 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539838254 1116386484 /nfs/dbraw/zinc/38/64/84/1116386484.db2.gz MWFBAKPKUZTLLJ-NVXWUHKLSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539838254 1116386485 /nfs/dbraw/zinc/38/64/85/1116386485.db2.gz MWFBAKPKUZTLLJ-NVXWUHKLSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000539838254 1116386486 /nfs/dbraw/zinc/38/64/86/1116386486.db2.gz MWFBAKPKUZTLLJ-NVXWUHKLSA-N 2 1 368.949 4.442 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000539838254 1116386487 /nfs/dbraw/zinc/38/64/87/1116386487.db2.gz MWFBAKPKUZTLLJ-NVXWUHKLSA-N 2 1 368.949 4.442 20 0 FIADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861526 1116391950 /nfs/dbraw/zinc/39/19/50/1116391950.db2.gz CWHQXKCDFYQUHR-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861526 1116391952 /nfs/dbraw/zinc/39/19/52/1116391952.db2.gz CWHQXKCDFYQUHR-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861526 1116391954 /nfs/dbraw/zinc/39/19/54/1116391954.db2.gz CWHQXKCDFYQUHR-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)CC1 ZINC000539861713 1116392028 /nfs/dbraw/zinc/39/20/28/1116392028.db2.gz JAKGFZCPNDCFMA-OAQYLSRUSA-N 2 1 369.578 4.015 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000669851615 1117759266 /nfs/dbraw/zinc/75/92/66/1117759266.db2.gz IRPNGZADKQKLIQ-JTHBVZDNSA-N 2 1 363.549 4.156 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000669851615 1117759274 /nfs/dbraw/zinc/75/92/74/1117759274.db2.gz IRPNGZADKQKLIQ-JTHBVZDNSA-N 2 1 363.549 4.156 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000462798216 1117779229 /nfs/dbraw/zinc/77/92/29/1117779229.db2.gz JYYAMEBOERRSGB-SFHVURJKSA-N 2 1 354.542 4.294 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000462802751 1117785551 /nfs/dbraw/zinc/78/55/51/1117785551.db2.gz ADSQYGJYRYGIMR-MOIQIXESSA-N 2 1 351.332 4.015 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@H]2CCC[C@H]21 ZINC000462820291 1117795824 /nfs/dbraw/zinc/79/58/24/1117795824.db2.gz VCATYQCAXUEJJG-RXABAKJHSA-N 2 1 363.343 4.158 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1)CC1CC1 ZINC000540050047 1117839328 /nfs/dbraw/zinc/83/93/28/1117839328.db2.gz YYQGUJJXPZEIPT-UHFFFAOYSA-N 2 1 359.489 4.301 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(OCC)c(OCC)cc32)C1 ZINC000462943480 1117871913 /nfs/dbraw/zinc/87/19/13/1117871913.db2.gz DAUZFKRDZQWIJF-KRWDZBQOSA-N 2 1 371.525 4.200 20 0 FIADMP COc1cccc(C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)c2ccccc2)c1 ZINC000540166464 1117910434 /nfs/dbraw/zinc/91/04/34/1117910434.db2.gz FKCQYVRWKOQPMD-FDDCHVKYSA-N 2 1 363.505 4.410 20 0 FIADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000540174095 1117914254 /nfs/dbraw/zinc/91/42/54/1117914254.db2.gz JANLAGWJRHRHCT-NRFANRHFSA-N 2 1 362.533 4.018 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077612 1117959834 /nfs/dbraw/zinc/95/98/34/1117959834.db2.gz KCLHMNLQZFDYND-URXFXBBRSA-N 2 1 366.549 4.279 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCOCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077612 1117959836 /nfs/dbraw/zinc/95/98/36/1117959836.db2.gz KCLHMNLQZFDYND-URXFXBBRSA-N 2 1 366.549 4.279 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259521 1117961757 /nfs/dbraw/zinc/96/17/57/1117961757.db2.gz WIRZALDCGGUYHY-JKSUJKDBSA-N 2 1 362.949 4.389 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112714 1117970284 /nfs/dbraw/zinc/97/02/84/1117970284.db2.gz VVCJLCHTYWBIPV-GBXCKJPGSA-N 2 1 365.565 4.281 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112714 1117970286 /nfs/dbraw/zinc/97/02/86/1117970286.db2.gz VVCJLCHTYWBIPV-GBXCKJPGSA-N 3 1 365.565 4.281 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112714 1117970287 /nfs/dbraw/zinc/97/02/87/1117970287.db2.gz VVCJLCHTYWBIPV-GBXCKJPGSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112714 1117970289 /nfs/dbraw/zinc/97/02/89/1117970289.db2.gz VVCJLCHTYWBIPV-GBXCKJPGSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112714 1117970292 /nfs/dbraw/zinc/97/02/92/1117970292.db2.gz VVCJLCHTYWBIPV-GBXCKJPGSA-N 3 1 365.565 4.281 20 0 FIADMP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000463126800 1117974799 /nfs/dbraw/zinc/97/47/99/1117974799.db2.gz LLEHPKRRFGSTHR-INIZCTEOSA-N 2 1 360.542 4.423 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302134 1117975882 /nfs/dbraw/zinc/97/58/82/1117975882.db2.gz QTJWOPHLVKRZIL-SBUREZEXSA-N 2 1 368.496 4.287 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302134 1117975886 /nfs/dbraw/zinc/97/58/86/1117975886.db2.gz QTJWOPHLVKRZIL-SBUREZEXSA-N 2 1 368.496 4.287 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCCC[C@H]1C ZINC000463142191 1117980417 /nfs/dbraw/zinc/98/04/17/1117980417.db2.gz DWHFFMAMVBQIOO-MSOLQXFVSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCCC[C@H]1C ZINC000463142191 1117980419 /nfs/dbraw/zinc/98/04/19/1117980419.db2.gz DWHFFMAMVBQIOO-MSOLQXFVSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463132612 1117983649 /nfs/dbraw/zinc/98/36/49/1117983649.db2.gz SLZFKAAHHDAHAM-GGAORHGYSA-N 3 1 357.586 4.285 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463132612 1117983653 /nfs/dbraw/zinc/98/36/53/1117983653.db2.gz SLZFKAAHHDAHAM-GGAORHGYSA-N 3 1 357.586 4.285 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137206 1117985893 /nfs/dbraw/zinc/98/58/93/1117985893.db2.gz JHCMIMMOQCVWNX-WMZHIEFXSA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137206 1117985897 /nfs/dbraw/zinc/98/58/97/1117985897.db2.gz JHCMIMMOQCVWNX-WMZHIEFXSA-N 2 1 352.522 4.366 20 0 FIADMP CCOc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463141456 1117987455 /nfs/dbraw/zinc/98/74/55/1117987455.db2.gz KEOKPGBSGUMZEB-UHFFFAOYSA-N 2 1 356.485 4.021 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463149635 1117992495 /nfs/dbraw/zinc/99/24/95/1117992495.db2.gz VVZGUTRVQWQNGZ-YLJYHZDGSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463149635 1117992497 /nfs/dbraw/zinc/99/24/97/1117992497.db2.gz VVZGUTRVQWQNGZ-YLJYHZDGSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000540354100 1117998159 /nfs/dbraw/zinc/99/81/59/1117998159.db2.gz LETHXBGDORHPLX-WIYYLYMNSA-N 2 1 353.510 4.186 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCCC2 ZINC000463191166 1118008048 /nfs/dbraw/zinc/00/80/48/1118008048.db2.gz MEZSSKNILIWJPZ-FGZHOGPDSA-N 2 1 356.554 4.021 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1F ZINC000463187986 1118017398 /nfs/dbraw/zinc/01/73/98/1118017398.db2.gz AFYRSUUBLPTTCU-QGZVFWFLSA-N 2 1 358.476 4.365 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208937 1118022730 /nfs/dbraw/zinc/02/27/30/1118022730.db2.gz ZSWMGKOWXJBBCI-JLMWRMLUSA-N 2 1 350.506 4.325 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208937 1118022737 /nfs/dbraw/zinc/02/27/37/1118022737.db2.gz ZSWMGKOWXJBBCI-JLMWRMLUSA-N 2 1 350.506 4.325 20 0 FIADMP COc1cccc(C(C)(C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463203574 1118032722 /nfs/dbraw/zinc/03/27/22/1118032722.db2.gz FGGKXRNMKYXYOF-UHFFFAOYSA-N 2 1 366.549 4.270 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)C1 ZINC000540409276 1118037896 /nfs/dbraw/zinc/03/78/96/1118037896.db2.gz UZFOLHSJSAKFIN-XNJGSVPQSA-N 2 1 369.372 4.163 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000540415741 1118043309 /nfs/dbraw/zinc/04/33/09/1118043309.db2.gz FTXQIYCYCKAFAK-BDJLRTHQSA-N 2 1 366.328 4.027 20 0 FIADMP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000463283487 1118069667 /nfs/dbraw/zinc/06/96/67/1118069667.db2.gz TXSCQLNRNKBUIG-SFTDATJTSA-N 2 1 362.533 4.014 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463289926 1118085779 /nfs/dbraw/zinc/08/57/79/1118085779.db2.gz QYJHMNKCKOVGKG-YLJYHZDGSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463289926 1118085783 /nfs/dbraw/zinc/08/57/83/1118085783.db2.gz QYJHMNKCKOVGKG-YLJYHZDGSA-N 2 1 374.475 4.473 20 0 FIADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)cc2)c1 ZINC000540608812 1118148691 /nfs/dbraw/zinc/14/86/91/1118148691.db2.gz UHNUNVFFDYEIOP-LJQANCHMSA-N 2 1 350.506 4.487 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000540988456 1118339230 /nfs/dbraw/zinc/33/92/30/1118339230.db2.gz LLWSMKWGBKXXDS-RBBKRZOGSA-N 2 1 370.924 4.074 20 0 FIADMP CCc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)cc1 ZINC000540988759 1118339537 /nfs/dbraw/zinc/33/95/37/1118339537.db2.gz OKZBKGBZNQCNEC-DNQXCXABSA-N 2 1 366.549 4.303 20 0 FIADMP CCCc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000540990146 1118341603 /nfs/dbraw/zinc/34/16/03/1118341603.db2.gz DOHYCVOUZAJYIY-NTKDMRAZSA-N 2 1 366.549 4.447 20 0 FIADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000464054884 1118426767 /nfs/dbraw/zinc/42/67/67/1118426767.db2.gz HHNGZHUNEOIINE-NHCUHLMSSA-N 2 1 356.554 4.193 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000541281477 1118462412 /nfs/dbraw/zinc/46/24/12/1118462412.db2.gz HUCZHWNKDOUKRQ-YJBOKZPZSA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000541281477 1118462414 /nfs/dbraw/zinc/46/24/14/1118462414.db2.gz HUCZHWNKDOUKRQ-YJBOKZPZSA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000541281477 1118462418 /nfs/dbraw/zinc/46/24/18/1118462418.db2.gz HUCZHWNKDOUKRQ-YJBOKZPZSA-N 2 1 353.348 4.044 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000541565514 1118556613 /nfs/dbraw/zinc/55/66/13/1118556613.db2.gz CGCYKISBFVTLHT-BTYIYWSLSA-N 2 1 352.457 4.049 20 0 FIADMP CS[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)C ZINC000541553708 1118561383 /nfs/dbraw/zinc/56/13/83/1118561383.db2.gz TZLQVWSZYOMTJZ-LJQANCHMSA-N 2 1 352.563 4.200 20 0 FIADMP CC[C@@H]([NH2+]CC(C)C[NH2+][C@H](CC)c1c(C)noc1C)c1c(C)noc1C ZINC000541633651 1118590685 /nfs/dbraw/zinc/59/06/85/1118590685.db2.gz HSASGRHBYHTADK-QZTJIDSGSA-N 2 1 362.518 4.314 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)c1 ZINC000541741260 1118628443 /nfs/dbraw/zinc/62/84/43/1118628443.db2.gz KYJKLQXQCYGGDA-QHCPKHFHSA-N 2 1 360.505 4.196 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)c1 ZINC000541741260 1118628446 /nfs/dbraw/zinc/62/84/46/1118628446.db2.gz KYJKLQXQCYGGDA-QHCPKHFHSA-N 2 1 360.505 4.196 20 0 FIADMP C[NH+]1CCN(CCCC[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000541849108 1118669984 /nfs/dbraw/zinc/66/99/84/1118669984.db2.gz QPTQKLNCWGCLPY-NRFANRHFSA-N 2 1 357.542 4.137 20 0 FIADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312429941 1118676636 /nfs/dbraw/zinc/67/66/36/1118676636.db2.gz IBQRLTRSVLGVAN-JPYJTQIMSA-N 2 1 365.521 4.208 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000541955274 1118721493 /nfs/dbraw/zinc/72/14/93/1118721493.db2.gz IMRJNPLESLBCAY-DLBZAZTESA-N 2 1 362.477 4.167 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)CC1 ZINC000303036465 1118775974 /nfs/dbraw/zinc/77/59/74/1118775974.db2.gz RCHUUKQMPDXZRB-HSZRJFAPSA-N 2 1 358.570 4.080 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852975 1118987347 /nfs/dbraw/zinc/98/73/47/1118987347.db2.gz PBFWUKMFNAOXBG-ZZTDLJEGSA-N 2 1 352.522 4.405 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852975 1118987349 /nfs/dbraw/zinc/98/73/49/1118987349.db2.gz PBFWUKMFNAOXBG-ZZTDLJEGSA-N 2 1 352.522 4.405 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492044277 1119006845 /nfs/dbraw/zinc/00/68/45/1119006845.db2.gz KIOVEDSHXWDICX-GIVPXCGWSA-N 2 1 367.512 4.047 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000492044277 1119006849 /nfs/dbraw/zinc/00/68/49/1119006849.db2.gz KIOVEDSHXWDICX-GIVPXCGWSA-N 2 1 367.512 4.047 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000173350234 1119035077 /nfs/dbraw/zinc/03/50/77/1119035077.db2.gz AXIZPLLVOSFBPW-MSOLQXFVSA-N 2 1 370.562 4.480 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000173350234 1119035080 /nfs/dbraw/zinc/03/50/80/1119035080.db2.gz AXIZPLLVOSFBPW-MSOLQXFVSA-N 2 1 370.562 4.480 20 0 FIADMP Cc1ccc(C)c([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000492223659 1119050835 /nfs/dbraw/zinc/05/08/35/1119050835.db2.gz LTZJIRORCGNOPG-LADGPHEKSA-N 2 1 366.549 4.219 20 0 FIADMP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000177200085 1119316416 /nfs/dbraw/zinc/31/64/16/1119316416.db2.gz SRBNBPRDFAMYGZ-OTWHNJEPSA-N 2 1 368.521 4.155 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311066296 1119356125 /nfs/dbraw/zinc/35/61/25/1119356125.db2.gz JKVJXSWGIMAYNZ-SJLPKXTDSA-N 2 1 357.567 4.441 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311066296 1119356129 /nfs/dbraw/zinc/35/61/29/1119356129.db2.gz JKVJXSWGIMAYNZ-SJLPKXTDSA-N 2 1 357.567 4.441 20 0 FIADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000311072873 1119357152 /nfs/dbraw/zinc/35/71/52/1119357152.db2.gz KLIAHLOXIYVSHG-VQIMIIECSA-N 2 1 358.913 4.349 20 0 FIADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000177933298 1119361283 /nfs/dbraw/zinc/36/12/83/1119361283.db2.gz VQZAOOHMAGOAKW-UHFFFAOYSA-N 2 1 373.585 4.045 20 0 FIADMP COc1cccc(F)c1[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517773 1119377878 /nfs/dbraw/zinc/37/78/78/1119377878.db2.gz IQJVGQZRURYLHE-JENIJYKNSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311590936 1119380488 /nfs/dbraw/zinc/38/04/88/1119380488.db2.gz AKZSJXYWOBYVSF-KNKQGSTJSA-N 2 1 352.522 4.214 20 0 FIADMP CCCOc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000178322694 1119384148 /nfs/dbraw/zinc/38/41/48/1119384148.db2.gz YEYITWURVBVMIE-KRWDZBQOSA-N 2 1 368.525 4.202 20 0 FIADMP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000178376333 1119386898 /nfs/dbraw/zinc/38/68/98/1119386898.db2.gz RLOSALYMSYSCRD-LJQANCHMSA-N 2 1 368.521 4.158 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311863743 1119393016 /nfs/dbraw/zinc/39/30/16/1119393016.db2.gz VOPDMBSJSLOOHB-NNWRFLSQSA-N 2 1 356.554 4.369 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000178786327 1119409333 /nfs/dbraw/zinc/40/93/33/1119409333.db2.gz JRKZCENGJZWIML-LBPRGKRZSA-N 2 1 354.267 4.224 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000152538452 1119544258 /nfs/dbraw/zinc/54/42/58/1119544258.db2.gz BPKZFAHCSVLGDD-AZUAARDMSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccnn1-c1ccccc1 ZINC000467338778 1119638956 /nfs/dbraw/zinc/63/89/56/1119638956.db2.gz NCUYBRSMVXHJPX-SFHVURJKSA-N 2 1 352.526 4.320 20 0 FIADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186569678 1119737067 /nfs/dbraw/zinc/73/70/67/1119737067.db2.gz PFKQSOBCAHENAI-GOSISDBHSA-N 2 1 371.491 4.161 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187036198 1119763011 /nfs/dbraw/zinc/76/30/11/1119763011.db2.gz XQAKRVKMPHLJAA-LJQANCHMSA-N 2 1 365.521 4.065 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187036198 1119763016 /nfs/dbraw/zinc/76/30/16/1119763016.db2.gz XQAKRVKMPHLJAA-LJQANCHMSA-N 2 1 365.521 4.065 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194025864 1120232933 /nfs/dbraw/zinc/23/29/33/1120232933.db2.gz FQCBONVAYYCZEY-IMUUDWKMSA-N 2 1 362.315 4.126 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530233 1120408838 /nfs/dbraw/zinc/40/88/38/1120408838.db2.gz CPTICDNVQGKBEB-UKRRQHHQSA-N 2 1 369.322 4.331 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530233 1120408845 /nfs/dbraw/zinc/40/88/45/1120408845.db2.gz CPTICDNVQGKBEB-UKRRQHHQSA-N 2 1 369.322 4.331 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530235 1120409016 /nfs/dbraw/zinc/40/90/16/1120409016.db2.gz CPTICDNVQGKBEB-ZFWWWQNUSA-N 2 1 369.322 4.331 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530235 1120409017 /nfs/dbraw/zinc/40/90/17/1120409017.db2.gz CPTICDNVQGKBEB-ZFWWWQNUSA-N 2 1 369.322 4.331 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000494989442 1120414414 /nfs/dbraw/zinc/41/44/14/1120414414.db2.gz SSUSNMGBXGCANO-FQEVSTJZSA-N 2 1 358.432 4.229 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000495261131 1120595321 /nfs/dbraw/zinc/59/53/21/1120595321.db2.gz UTUTXEBEDHZOEY-UTKZUKDTSA-N 2 1 355.913 4.093 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381316 1120768126 /nfs/dbraw/zinc/76/81/26/1120768126.db2.gz XZPRNXDFNDNJOK-NBCNXNJRSA-N 2 1 374.475 4.153 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381316 1120768132 /nfs/dbraw/zinc/76/81/32/1120768132.db2.gz XZPRNXDFNDNJOK-NBCNXNJRSA-N 2 1 374.475 4.153 20 0 FIADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]CCC[NH+]3CCCCC3)cc2c1 ZINC000236652856 1120968390 /nfs/dbraw/zinc/96/83/90/1120968390.db2.gz JVYZKFYTODFYAK-UHFFFAOYSA-N 2 1 366.553 4.191 20 0 FIADMP Clc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000762926541 1120998260 /nfs/dbraw/zinc/99/82/60/1120998260.db2.gz KSBWZXLQDYQLRU-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP Clc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000762926541 1120998263 /nfs/dbraw/zinc/99/82/63/1120998263.db2.gz KSBWZXLQDYQLRU-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000762926873 1120999133 /nfs/dbraw/zinc/99/91/33/1120999133.db2.gz WXOSPOFQBFJAMH-QHCPKHFHSA-N 2 1 363.505 4.126 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000762926873 1120999134 /nfs/dbraw/zinc/99/91/34/1120999134.db2.gz WXOSPOFQBFJAMH-QHCPKHFHSA-N 2 1 363.505 4.126 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000915682824 1121020448 /nfs/dbraw/zinc/02/04/48/1121020448.db2.gz RUXLGPHBIWCSBU-PMACEKPBSA-N 2 1 360.542 4.371 20 0 FIADMP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000915682824 1121020458 /nfs/dbraw/zinc/02/04/58/1121020458.db2.gz RUXLGPHBIWCSBU-PMACEKPBSA-N 2 1 360.542 4.371 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255605 1121452600 /nfs/dbraw/zinc/45/26/00/1121452600.db2.gz PHMAQJBTOWQZSJ-JTHBVZDNSA-N 3 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255605 1121452605 /nfs/dbraw/zinc/45/26/05/1121452605.db2.gz PHMAQJBTOWQZSJ-JTHBVZDNSA-N 2 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255605 1121452610 /nfs/dbraw/zinc/45/26/10/1121452610.db2.gz PHMAQJBTOWQZSJ-JTHBVZDNSA-N 2 1 355.570 4.168 20 0 FIADMP C[N@H+](Cc1ccccc1CN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255605 1121452614 /nfs/dbraw/zinc/45/26/14/1121452614.db2.gz PHMAQJBTOWQZSJ-JTHBVZDNSA-N 2 1 355.570 4.168 20 0 FIADMP C[N@@H+](Cc1ccccc1CN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255605 1121452619 /nfs/dbraw/zinc/45/26/19/1121452619.db2.gz PHMAQJBTOWQZSJ-JTHBVZDNSA-N 2 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255605 1121452624 /nfs/dbraw/zinc/45/26/24/1121452624.db2.gz PHMAQJBTOWQZSJ-JTHBVZDNSA-N 2 1 355.570 4.168 20 0 FIADMP C[NH+](Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166255605 1121452631 /nfs/dbraw/zinc/45/26/31/1121452631.db2.gz PHMAQJBTOWQZSJ-JTHBVZDNSA-N 2 1 355.570 4.168 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123391799 1121479513 /nfs/dbraw/zinc/47/95/13/1121479513.db2.gz QEGOWROTCDUETR-JKSUJKDBSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCCOc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123391799 1121479524 /nfs/dbraw/zinc/47/95/24/1121479524.db2.gz QEGOWROTCDUETR-JKSUJKDBSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123391799 1121479537 /nfs/dbraw/zinc/47/95/37/1121479537.db2.gz QEGOWROTCDUETR-JKSUJKDBSA-N 2 1 358.448 4.279 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCCCOc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123391799 1121479550 /nfs/dbraw/zinc/47/95/50/1121479550.db2.gz QEGOWROTCDUETR-JKSUJKDBSA-N 2 1 358.448 4.279 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000671740217 1121642712 /nfs/dbraw/zinc/64/27/12/1121642712.db2.gz TXSPYKUIHGZFPZ-VRPMWHRCSA-N 2 1 372.397 4.358 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000123934010 1121646477 /nfs/dbraw/zinc/64/64/77/1121646477.db2.gz FGBGARIWPOEPBS-QGZVFWFLSA-N 2 1 354.494 4.150 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124518060 1121701537 /nfs/dbraw/zinc/70/15/37/1121701537.db2.gz SCQAMUOWASOBIL-SNVBAGLBSA-N 2 1 354.338 4.469 20 0 FIADMP Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000671754079 1121753973 /nfs/dbraw/zinc/75/39/73/1121753973.db2.gz QLGLYCARKRWYNY-KMDXXIMOSA-N 2 1 363.549 4.213 20 0 FIADMP CCCC[N@@H+](C)CC1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000066960579 1121762083 /nfs/dbraw/zinc/76/20/83/1121762083.db2.gz YZCHPXJBEMXDSY-HNNXBMFYSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000066960579 1121762093 /nfs/dbraw/zinc/76/20/93/1121762093.db2.gz YZCHPXJBEMXDSY-HNNXBMFYSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000066960579 1121762102 /nfs/dbraw/zinc/76/21/02/1121762102.db2.gz YZCHPXJBEMXDSY-HNNXBMFYSA-N 2 1 362.543 4.303 20 0 FIADMP Brc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)s1 ZINC000671764913 1121814622 /nfs/dbraw/zinc/81/46/22/1121814622.db2.gz UYKYVFXNUGVICK-UONOGXRCSA-N 2 1 369.372 4.149 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000126189968 1121932249 /nfs/dbraw/zinc/93/22/49/1121932249.db2.gz ZVORFNLYKGSPBQ-UHFFFAOYSA-N 2 1 362.315 4.403 20 0 FIADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000126864387 1122019718 /nfs/dbraw/zinc/01/97/18/1122019718.db2.gz WVFQAOHPJAGXRY-WBVHZDCISA-N 2 1 361.580 4.392 20 0 FIADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000126864387 1122019724 /nfs/dbraw/zinc/01/97/24/1122019724.db2.gz WVFQAOHPJAGXRY-WBVHZDCISA-N 2 1 361.580 4.392 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccccc3OC(F)F)CC2)[nH+]1 ZINC000128134770 1122196359 /nfs/dbraw/zinc/19/63/59/1122196359.db2.gz AWFSMORGMYNBQI-OAHLLOKOSA-N 2 1 361.436 4.311 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262667283 1122409846 /nfs/dbraw/zinc/40/98/46/1122409846.db2.gz KUKFMOXPYXAXCX-SPEDKVCISA-N 2 1 365.521 4.336 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000556059633 1122629063 /nfs/dbraw/zinc/62/90/63/1122629063.db2.gz UMBYBLSCYIMBPV-IRMYBRCSSA-N 2 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059633 1122629066 /nfs/dbraw/zinc/62/90/66/1122629066.db2.gz UMBYBLSCYIMBPV-IRMYBRCSSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059633 1122629070 /nfs/dbraw/zinc/62/90/70/1122629070.db2.gz UMBYBLSCYIMBPV-IRMYBRCSSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059633 1122629073 /nfs/dbraw/zinc/62/90/73/1122629073.db2.gz UMBYBLSCYIMBPV-IRMYBRCSSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000556059633 1122629075 /nfs/dbraw/zinc/62/90/75/1122629075.db2.gz UMBYBLSCYIMBPV-IRMYBRCSSA-N 3 1 357.586 4.170 20 0 FIADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000069669763 1122649146 /nfs/dbraw/zinc/64/91/46/1122649146.db2.gz UHDJICJPNXPZKQ-QFIPXVFZSA-N 2 1 350.462 4.099 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000556119074 1122670096 /nfs/dbraw/zinc/67/00/96/1122670096.db2.gz OEPXDYHGEJNADG-JTHBVZDNSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000556119074 1122670099 /nfs/dbraw/zinc/67/00/99/1122670099.db2.gz OEPXDYHGEJNADG-JTHBVZDNSA-N 2 1 360.505 4.012 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1F ZINC000556238549 1122755119 /nfs/dbraw/zinc/75/51/19/1122755119.db2.gz VPNJVZPXYBIVKS-FQEVSTJZSA-N 2 1 351.425 4.193 20 0 FIADMP C[C@H](CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000556261216 1122770540 /nfs/dbraw/zinc/77/05/40/1122770540.db2.gz JRDSTMNVEXUANG-RDABAPPSSA-N 3 1 357.586 4.284 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@H]2CCCC[C@@H]2O)CC1 ZINC000556263523 1122773276 /nfs/dbraw/zinc/77/32/76/1122773276.db2.gz ZMPNRNZFPOYXLP-PLYUQDFWSA-N 2 1 358.570 4.351 20 0 FIADMP Fc1ccc(C2=CC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000498778603 1123006255 /nfs/dbraw/zinc/00/62/55/1123006255.db2.gz ALTYJKCPKZYXGR-JOCHJYFZSA-N 2 1 372.528 4.386 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000556884300 1123160999 /nfs/dbraw/zinc/16/09/99/1123160999.db2.gz BEVFGOHELKVMON-NJDAHSKKSA-N 2 1 352.526 4.340 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000556884300 1123161002 /nfs/dbraw/zinc/16/10/02/1123161002.db2.gz BEVFGOHELKVMON-NJDAHSKKSA-N 2 1 352.526 4.340 20 0 FIADMP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000556881334 1123168587 /nfs/dbraw/zinc/16/85/87/1123168587.db2.gz NQHGOYUSLCOLET-KGLIPLIRSA-N 2 1 369.490 4.441 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000515075764 1123207688 /nfs/dbraw/zinc/20/76/88/1123207688.db2.gz JVYBVUGBJKIVKF-UYAOXDASSA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000515075764 1123207694 /nfs/dbraw/zinc/20/76/94/1123207694.db2.gz JVYBVUGBJKIVKF-UYAOXDASSA-N 2 1 360.448 4.256 20 0 FIADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)c1ccccc1 ZINC000499141002 1123283379 /nfs/dbraw/zinc/28/33/79/1123283379.db2.gz IYKOJDCQSDIOSP-SJROBZAFSA-N 2 1 363.549 4.297 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499144743 1123287058 /nfs/dbraw/zinc/28/70/58/1123287058.db2.gz XXLDIIADNBBAQY-NLTKNRQVSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499144743 1123287064 /nfs/dbraw/zinc/28/70/64/1123287064.db2.gz XXLDIIADNBBAQY-NLTKNRQVSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144743 1123287069 /nfs/dbraw/zinc/28/70/69/1123287069.db2.gz XXLDIIADNBBAQY-NLTKNRQVSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499144743 1123287074 /nfs/dbraw/zinc/28/70/74/1123287074.db2.gz XXLDIIADNBBAQY-NLTKNRQVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000499144743 1123287079 /nfs/dbraw/zinc/28/70/79/1123287079.db2.gz XXLDIIADNBBAQY-NLTKNRQVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000499144743 1123287083 /nfs/dbraw/zinc/28/70/83/1123287083.db2.gz XXLDIIADNBBAQY-NLTKNRQVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499144743 1123287087 /nfs/dbraw/zinc/28/70/87/1123287087.db2.gz XXLDIIADNBBAQY-NLTKNRQVSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235277 1123342687 /nfs/dbraw/zinc/34/26/87/1123342687.db2.gz PYZPTCJQGFDWIY-WJMWBRGCSA-N 2 1 368.496 4.378 20 0 FIADMP Fc1ccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000499249034 1123357838 /nfs/dbraw/zinc/35/78/38/1123357838.db2.gz ZUCSQRHCKHQAGB-OWZKRDHZSA-N 2 1 372.459 4.129 20 0 FIADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(C)nn(C)c1C ZINC000499245966 1123363670 /nfs/dbraw/zinc/36/36/70/1123363670.db2.gz BQVRPDHXXTYRTJ-CIAFKFPVSA-N 2 1 366.553 4.273 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132882208 1123376183 /nfs/dbraw/zinc/37/61/83/1123376183.db2.gz UMZPIJBVVYCSNL-RHSMWYFYSA-N 2 1 355.448 4.188 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132882208 1123376188 /nfs/dbraw/zinc/37/61/88/1123376188.db2.gz UMZPIJBVVYCSNL-RHSMWYFYSA-N 2 1 355.448 4.188 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132882208 1123376192 /nfs/dbraw/zinc/37/61/92/1123376192.db2.gz UMZPIJBVVYCSNL-RHSMWYFYSA-N 2 1 355.448 4.188 20 0 FIADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000152640404 1123449837 /nfs/dbraw/zinc/44/98/37/1123449837.db2.gz FKHXPLGPUBIXLD-PGRDOPGGSA-N 2 1 350.506 4.165 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133403111 1123484831 /nfs/dbraw/zinc/48/48/31/1123484831.db2.gz DESMLMRUPYGOMJ-KHCICDEESA-N 3 1 365.565 4.234 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133403111 1123484834 /nfs/dbraw/zinc/48/48/34/1123484834.db2.gz DESMLMRUPYGOMJ-KHCICDEESA-N 2 1 365.565 4.234 20 0 FIADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000133761035 1123529006 /nfs/dbraw/zinc/52/90/06/1123529006.db2.gz NSAXRXZEQADPPW-VBKZILBWSA-N 2 1 351.498 4.333 20 0 FIADMP CC(C)N(C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(C)C ZINC000615316368 1123989104 /nfs/dbraw/zinc/98/91/04/1123989104.db2.gz RQGABZBZJNXPRF-UXHICEINSA-N 2 1 373.585 4.185 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245609726 1124139864 /nfs/dbraw/zinc/13/98/64/1124139864.db2.gz NWZZFRKILRLBRS-NTLWEQJWSA-N 2 1 368.525 4.307 20 0 FIADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522122 1124157758 /nfs/dbraw/zinc/15/77/58/1124157758.db2.gz DFIPZXSJHLYMND-CQSZACIVSA-N 2 1 350.457 4.156 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCOc4ccccc42)C3)cc1 ZINC000245652511 1124167721 /nfs/dbraw/zinc/16/77/21/1124167721.db2.gz CUUINBMNHBWJSY-YUMYIRISSA-N 2 1 362.517 4.338 20 0 FIADMP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245675521 1124185776 /nfs/dbraw/zinc/18/57/76/1124185776.db2.gz HYEBLASBQQEYNW-VILGAWFOSA-N 2 1 372.516 4.158 20 0 FIADMP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245675521 1124185781 /nfs/dbraw/zinc/18/57/81/1124185781.db2.gz HYEBLASBQQEYNW-VILGAWFOSA-N 2 1 372.516 4.158 20 0 FIADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000245676168 1124187322 /nfs/dbraw/zinc/18/73/22/1124187322.db2.gz ICOQGBIDZGCHQU-RZXSNQJFSA-N 2 1 364.489 4.262 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sc1C ZINC000245752890 1124240187 /nfs/dbraw/zinc/24/01/87/1124240187.db2.gz UINMQDREPVZTRT-OWZKRDHZSA-N 2 1 355.551 4.088 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cn1 ZINC000180177168 1124255987 /nfs/dbraw/zinc/25/59/87/1124255987.db2.gz QIYXRPAHYADVCO-SFHVURJKSA-N 2 1 371.488 4.013 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000765881160 1124326395 /nfs/dbraw/zinc/32/63/95/1124326395.db2.gz NMYMKODQZMAEFV-UKDVSSAZSA-N 2 1 374.528 4.373 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474791911 1124344686 /nfs/dbraw/zinc/34/46/86/1124344686.db2.gz KLZVFVBDSJFSTH-KLAILNCOSA-N 2 1 364.496 4.223 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000542836855 1124429511 /nfs/dbraw/zinc/42/95/11/1124429511.db2.gz XJCCTWQTJNXEQZ-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000542836855 1124429529 /nfs/dbraw/zinc/42/95/29/1124429529.db2.gz XJCCTWQTJNXEQZ-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2c(s1)CCCC2 ZINC000542845581 1124445987 /nfs/dbraw/zinc/44/59/87/1124445987.db2.gz DAVXVJDWKWCNOP-JXFKEZNVSA-N 2 1 370.562 4.044 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-c2ccccc2)o1 ZINC000246405562 1124488160 /nfs/dbraw/zinc/48/81/60/1124488160.db2.gz MAUNSHVWGWNWHQ-IOMROCGXSA-N 2 1 368.521 4.365 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000246844054 1124566513 /nfs/dbraw/zinc/56/65/13/1124566513.db2.gz CGWVNQMMIFGUCT-FCEWJHQRSA-N 2 1 370.484 4.076 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000247236988 1124601319 /nfs/dbraw/zinc/60/13/19/1124601319.db2.gz YSEWEITXQISBED-QZTJIDSGSA-N 2 1 372.557 4.133 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168099 1124747788 /nfs/dbraw/zinc/74/77/88/1124747788.db2.gz UEIYTYBLMQVZPX-LUQKVYGDSA-N 2 1 372.534 4.253 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168099 1124747791 /nfs/dbraw/zinc/74/77/91/1124747791.db2.gz UEIYTYBLMQVZPX-LUQKVYGDSA-N 2 1 372.534 4.253 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000248454143 1124772971 /nfs/dbraw/zinc/77/29/71/1124772971.db2.gz QYFMMWWUCQWJLZ-FDDCHVKYSA-N 2 1 366.549 4.402 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000248831902 1124817575 /nfs/dbraw/zinc/81/75/75/1124817575.db2.gz HRSPXRNOZAJDIV-WKCHPHFGSA-N 2 1 368.496 4.162 20 0 FIADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001168686006 1124824179 /nfs/dbraw/zinc/82/41/79/1124824179.db2.gz VLHCVJMGQBIHAN-QUCCMNQESA-N 2 1 354.925 4.309 20 0 FIADMP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000089694776 1124927251 /nfs/dbraw/zinc/92/72/51/1124927251.db2.gz PCMDKNOIDAEEHH-QGZVFWFLSA-N 2 1 369.734 4.306 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000089701443 1124929617 /nfs/dbraw/zinc/92/96/17/1124929617.db2.gz IEEFNQIUNRTAIK-MEDUHNTESA-N 2 1 366.278 4.006 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000089701444 1124929719 /nfs/dbraw/zinc/92/97/19/1124929719.db2.gz IEEFNQIUNRTAIK-BDJLRTHQSA-N 2 1 366.278 4.006 20 0 FIADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(C)C)cc1 ZINC000091265821 1125059589 /nfs/dbraw/zinc/05/95/89/1125059589.db2.gz CMKQRMOSUVPRRJ-HSZRJFAPSA-N 2 1 368.521 4.014 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000672619386 1125204150 /nfs/dbraw/zinc/20/41/50/1125204150.db2.gz MJJFCCUEQRUQHS-NQSCKRDGSA-N 2 1 372.940 4.059 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000672619386 1125204155 /nfs/dbraw/zinc/20/41/55/1125204155.db2.gz MJJFCCUEQRUQHS-NQSCKRDGSA-N 2 1 372.940 4.059 20 0 FIADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336805 1125305284 /nfs/dbraw/zinc/30/52/84/1125305284.db2.gz HVGKQJZOGWFGRO-HXUWFJFHSA-N 2 1 360.505 4.031 20 0 FIADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336805 1125305288 /nfs/dbraw/zinc/30/52/88/1125305288.db2.gz HVGKQJZOGWFGRO-HXUWFJFHSA-N 2 1 360.505 4.031 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336805 1125305292 /nfs/dbraw/zinc/30/52/92/1125305292.db2.gz HVGKQJZOGWFGRO-HXUWFJFHSA-N 2 1 360.505 4.031 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336805 1125305295 /nfs/dbraw/zinc/30/52/95/1125305295.db2.gz HVGKQJZOGWFGRO-HXUWFJFHSA-N 2 1 360.505 4.031 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564074 1125439527 /nfs/dbraw/zinc/43/95/27/1125439527.db2.gz CNXIQSATOWEGNR-FQEVSTJZSA-N 2 1 370.516 4.079 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564074 1125439531 /nfs/dbraw/zinc/43/95/31/1125439531.db2.gz CNXIQSATOWEGNR-FQEVSTJZSA-N 2 1 370.516 4.079 20 0 FIADMP Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1Oc1ccncc1 ZINC000604307415 568247699 /nfs/dbraw/zinc/24/76/99/568247699.db2.gz FYSIHPXZZLRPTK-SFHVURJKSA-N 2 1 367.493 4.177 20 0 FIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1 ZINC001164419809 718893406 /nfs/dbraw/zinc/89/34/06/718893406.db2.gz RDBISPNAAPOEHH-FGZHOGPDSA-N 2 1 370.585 4.377 20 0 FIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCC23CC[NH2+]CC3)nc1 ZINC001164420527 718912301 /nfs/dbraw/zinc/91/23/01/718912301.db2.gz KIURIBUXVCKFDU-FQEVSTJZSA-N 2 1 356.558 4.131 20 0 FIADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c12 ZINC001165049697 721971587 /nfs/dbraw/zinc/97/15/87/721971587.db2.gz VBZSNHQLFHRQBY-IBGZPJMESA-N 2 1 367.541 4.391 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683699 1125490848 /nfs/dbraw/zinc/49/08/48/1125490848.db2.gz XXFXGDWUDVVSOW-INIZCTEOSA-N 2 1 358.917 4.038 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683699 1125490852 /nfs/dbraw/zinc/49/08/52/1125490852.db2.gz XXFXGDWUDVVSOW-INIZCTEOSA-N 2 1 358.917 4.038 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000765972606 1125517695 /nfs/dbraw/zinc/51/76/95/1125517695.db2.gz BJFSQSNEBIWUAN-SCLBCKFNSA-N 2 1 357.325 4.287 20 0 FIADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000261728806 1125649503 /nfs/dbraw/zinc/64/95/03/1125649503.db2.gz RKQKLAPBULCOQC-SNVBAGLBSA-N 2 1 354.338 4.283 20 0 FIADMP CC[N@@H+](C)C[C@H]1CCN(CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827461 1080138972 /nfs/dbraw/zinc/13/89/72/1080138972.db2.gz JZTQTQHXCUQOAC-OAHLLOKOSA-N 2 1 363.958 4.254 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827461 1080138978 /nfs/dbraw/zinc/13/89/78/1080138978.db2.gz JZTQTQHXCUQOAC-OAHLLOKOSA-N 2 1 363.958 4.254 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827461 1080138981 /nfs/dbraw/zinc/13/89/81/1080138981.db2.gz JZTQTQHXCUQOAC-OAHLLOKOSA-N 2 1 363.958 4.254 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827461 1080138984 /nfs/dbraw/zinc/13/89/84/1080138984.db2.gz JZTQTQHXCUQOAC-OAHLLOKOSA-N 2 1 363.958 4.254 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182827461 1080139000 /nfs/dbraw/zinc/13/90/00/1080139000.db2.gz JZTQTQHXCUQOAC-OAHLLOKOSA-N 2 1 363.958 4.254 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274808425 1080161882 /nfs/dbraw/zinc/16/18/82/1080161882.db2.gz XGECVZSNQFFGFO-GDKQOWJMSA-N 2 1 364.533 4.407 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430281437 1080360580 /nfs/dbraw/zinc/36/05/80/1080360580.db2.gz ZYFPJOLOMOBVNG-UHFFFAOYSA-N 2 1 371.916 4.061 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430281437 1080360586 /nfs/dbraw/zinc/36/05/86/1080360586.db2.gz ZYFPJOLOMOBVNG-UHFFFAOYSA-N 2 1 371.916 4.061 20 0 FIADMP Cc1nn(C)c(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1Cl ZINC001648792055 1080502487 /nfs/dbraw/zinc/50/24/87/1080502487.db2.gz GTXQBIXSEQYIII-OAHLLOKOSA-N 2 1 360.933 4.046 20 0 FIADMP Cc1nn(C)c(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1Cl ZINC001648792054 1080502929 /nfs/dbraw/zinc/50/29/29/1080502929.db2.gz GTXQBIXSEQYIII-HNNXBMFYSA-N 2 1 360.933 4.046 20 0 FIADMP C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683347307 1080701013 /nfs/dbraw/zinc/70/10/13/1080701013.db2.gz OBRMVIJNJREULN-PMJAUZGISA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC001648795413 1080793871 /nfs/dbraw/zinc/79/38/71/1080793871.db2.gz OGUORQJEHUUYKZ-RLLPEYFOSA-N 2 1 356.554 4.356 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cccnc1Cl ZINC000160289512 1080960591 /nfs/dbraw/zinc/96/05/91/1080960591.db2.gz DMDRAMHRLOYRQW-INIZCTEOSA-N 2 1 361.917 4.306 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237574547 1080975580 /nfs/dbraw/zinc/97/55/80/1080975580.db2.gz JCGOLNRAIJXZIA-APWZRJJASA-N 2 1 360.448 4.431 20 0 FIADMP CCOc1cncc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC001648808659 1081114151 /nfs/dbraw/zinc/11/41/51/1081114151.db2.gz YYKMENCLEGULEY-KDURUIRLSA-N 2 1 367.537 4.248 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001648817128 1081239495 /nfs/dbraw/zinc/23/94/95/1081239495.db2.gz VZHJSUNVZLHZLI-SFHVURJKSA-N 2 1 360.542 4.386 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000655850002 1081259115 /nfs/dbraw/zinc/25/91/15/1081259115.db2.gz AYPLYTVRUJWKQM-FFZOFVMBSA-N 2 1 358.526 4.152 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289669 1081393167 /nfs/dbraw/zinc/39/31/67/1081393167.db2.gz SBDICILBKVBWMH-APHBMKBZSA-N 2 1 363.299 4.473 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289669 1081393173 /nfs/dbraw/zinc/39/31/73/1081393173.db2.gz SBDICILBKVBWMH-APHBMKBZSA-N 2 1 363.299 4.473 20 0 FIADMP Cc1cccc(C)c1OCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000580106844 1081598351 /nfs/dbraw/zinc/59/83/51/1081598351.db2.gz XMTRUFRABHWVMS-UHFFFAOYSA-N 2 1 352.522 4.327 20 0 FIADMP COC1CCC([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001167398534 1081943483 /nfs/dbraw/zinc/94/34/83/1081943483.db2.gz SHTPWFXSSOJTBG-UHFFFAOYSA-N 2 1 358.570 4.221 20 0 FIADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000047968568 1082040680 /nfs/dbraw/zinc/04/06/80/1082040680.db2.gz PSXNTCLQZRFSEE-UHFFFAOYSA-N 2 1 368.525 4.168 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312930598 1082047964 /nfs/dbraw/zinc/04/79/64/1082047964.db2.gz DYEVDFIELPYJCI-BJLQDIEVSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312930598 1082047975 /nfs/dbraw/zinc/04/79/75/1082047975.db2.gz DYEVDFIELPYJCI-BJLQDIEVSA-N 2 1 368.521 4.265 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312974719 1082109405 /nfs/dbraw/zinc/10/94/05/1082109405.db2.gz KSVRTPXZODJCHA-NJNPRVFISA-N 2 1 365.521 4.206 20 0 FIADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548154098 1082296780 /nfs/dbraw/zinc/29/67/80/1082296780.db2.gz ZOCUBVIVUISAQG-KQKOIIKASA-N 2 1 370.512 4.402 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000581206931 1082370378 /nfs/dbraw/zinc/37/03/78/1082370378.db2.gz NRPIUBKEEIRBCV-YMPZKCBVSA-N 2 1 366.553 4.244 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000581206931 1082370382 /nfs/dbraw/zinc/37/03/82/1082370382.db2.gz NRPIUBKEEIRBCV-YMPZKCBVSA-N 2 1 366.553 4.244 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1scnc1C1CC1 ZINC000581429538 1082572594 /nfs/dbraw/zinc/57/25/94/1082572594.db2.gz PQYOHUZEVONNKQ-RTBURBONSA-N 2 1 355.551 4.193 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000581549010 1082655873 /nfs/dbraw/zinc/65/58/73/1082655873.db2.gz KSUNHFSDCBWSID-RDJZCZTQSA-N 2 1 365.477 4.063 20 0 FIADMP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000581549010 1082655875 /nfs/dbraw/zinc/65/58/75/1082655875.db2.gz KSUNHFSDCBWSID-RDJZCZTQSA-N 2 1 365.477 4.063 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784796 1082768402 /nfs/dbraw/zinc/76/84/02/1082768402.db2.gz HKVXFFYLXNBHAW-FQEVSTJZSA-N 2 1 353.485 4.099 20 0 FIADMP COc1cc2cc[nH+]c(NCc3ccc(CC[NH+](C)C)cc3)c2cc1F ZINC000581905699 1083007082 /nfs/dbraw/zinc/00/70/82/1083007082.db2.gz RXHQHCQRBGKSMK-UHFFFAOYSA-N 2 1 353.441 4.099 20 0 FIADMP Cc1cccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cccc(F)c2)c1 ZINC000510716023 1083259202 /nfs/dbraw/zinc/25/92/02/1083259202.db2.gz OFPIXZMNUYPZSK-GOTSBHOMSA-N 2 1 370.512 4.050 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H]3CCCF)CC2)cs1 ZINC000510720795 1083260835 /nfs/dbraw/zinc/26/08/35/1083260835.db2.gz LWQVRFZPSNLQRK-HKUYNNGSSA-N 2 1 367.578 4.426 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000548427662 1083297843 /nfs/dbraw/zinc/29/78/43/1083297843.db2.gz XGNFURTYHORUTP-AAVRWANBSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000548427663 1083298078 /nfs/dbraw/zinc/29/80/78/1083298078.db2.gz XGNFURTYHORUTP-KPWCQOOUSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCC[NH+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000548427663 1083298082 /nfs/dbraw/zinc/29/80/82/1083298082.db2.gz XGNFURTYHORUTP-KPWCQOOUSA-N 2 1 360.386 4.312 20 0 FIADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCCC[NH+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000548427663 1083298083 /nfs/dbraw/zinc/29/80/83/1083298083.db2.gz XGNFURTYHORUTP-KPWCQOOUSA-N 2 1 360.386 4.312 20 0 FIADMP COc1ccc(F)c(F)c1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001143412628 1083330357 /nfs/dbraw/zinc/33/03/57/1083330357.db2.gz CLFNWISHLTZSSQ-UHFFFAOYSA-N 2 1 374.475 4.317 20 0 FIADMP COc1ccc(F)c(F)c1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001143412628 1083330360 /nfs/dbraw/zinc/33/03/60/1083330360.db2.gz CLFNWISHLTZSSQ-UHFFFAOYSA-N 2 1 374.475 4.317 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510830989 1083334405 /nfs/dbraw/zinc/33/44/05/1083334405.db2.gz BYNQOGQXJYCBFJ-LJQANCHMSA-N 2 1 371.569 4.055 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510830989 1083334406 /nfs/dbraw/zinc/33/44/06/1083334406.db2.gz BYNQOGQXJYCBFJ-LJQANCHMSA-N 2 1 371.569 4.055 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510830989 1083334408 /nfs/dbraw/zinc/33/44/08/1083334408.db2.gz BYNQOGQXJYCBFJ-LJQANCHMSA-N 2 1 371.569 4.055 20 0 FIADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1cccs1 ZINC000092253785 1083367432 /nfs/dbraw/zinc/36/74/32/1083367432.db2.gz JDURCDZYHDYLJR-SFHVURJKSA-N 2 1 374.550 4.109 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1cccs1 ZINC000092253785 1083367442 /nfs/dbraw/zinc/36/74/42/1083367442.db2.gz JDURCDZYHDYLJR-SFHVURJKSA-N 2 1 374.550 4.109 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1cccs1 ZINC000092253785 1083367450 /nfs/dbraw/zinc/36/74/50/1083367450.db2.gz JDURCDZYHDYLJR-SFHVURJKSA-N 2 1 374.550 4.109 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCc1cccs1 ZINC000092253785 1083367460 /nfs/dbraw/zinc/36/74/60/1083367460.db2.gz JDURCDZYHDYLJR-SFHVURJKSA-N 2 1 374.550 4.109 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C3(CCC3)C2)cc1 ZINC000658316653 1083404464 /nfs/dbraw/zinc/40/44/64/1083404464.db2.gz GNDXCMDVRKYPMO-FCHUYYIVSA-N 2 1 368.565 4.228 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]2CCCO[C@@H]21 ZINC000658320205 1083405751 /nfs/dbraw/zinc/40/57/51/1083405751.db2.gz RDLCAJRDBZVETR-YSFYHYPLSA-N 2 1 368.565 4.082 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)C[C@H]2C1 ZINC000658318865 1083406291 /nfs/dbraw/zinc/40/62/91/1083406291.db2.gz TVRUZLWZWVEGDR-KCSJKLDESA-N 2 1 368.565 4.082 20 0 FIADMP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320169 1083406550 /nfs/dbraw/zinc/40/65/50/1083406550.db2.gz PHEBTDGCLWULMO-DENIHFKCSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@H]([NH2+]CCc1nsc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658318611 1083406893 /nfs/dbraw/zinc/40/68/93/1083406893.db2.gz QQQXTHFNBGCCGN-PKOBYXMFSA-N 2 1 365.546 4.339 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320351 1083408595 /nfs/dbraw/zinc/40/85/95/1083408595.db2.gz SPAGBBHRCUASOG-WMZHIEFXSA-N 2 1 364.533 4.132 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561391 1083438582 /nfs/dbraw/zinc/43/85/82/1083438582.db2.gz BZRYKOGFUJCBJK-VIQWUECVSA-N 2 1 352.563 4.131 20 0 FIADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093612374 1083483866 /nfs/dbraw/zinc/48/38/66/1083483866.db2.gz KNSVONRCWHBCMF-MRXNPFEDSA-N 2 1 361.555 4.147 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000510958064 1083536889 /nfs/dbraw/zinc/53/68/89/1083536889.db2.gz KKJOOYWTWJZAPG-JHVJFLLYSA-N 2 1 360.517 4.454 20 0 FIADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000510979650 1083555645 /nfs/dbraw/zinc/55/56/45/1083555645.db2.gz PEUOTLKYSBOINO-MRXNPFEDSA-N 2 1 354.267 4.224 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccccn2)C(C)C)CC1 ZINC000535812510 1083683399 /nfs/dbraw/zinc/68/33/99/1083683399.db2.gz PCYXAFPVOQYRBO-UHFFFAOYSA-N 2 1 366.553 4.024 20 0 FIADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000535808494 1083694327 /nfs/dbraw/zinc/69/43/27/1083694327.db2.gz IKYBXVNTYPRJTK-IFMALSPDSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535808494 1083694331 /nfs/dbraw/zinc/69/43/31/1083694331.db2.gz IKYBXVNTYPRJTK-IFMALSPDSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000535808494 1083694336 /nfs/dbraw/zinc/69/43/36/1083694336.db2.gz IKYBXVNTYPRJTK-IFMALSPDSA-N 2 1 360.505 4.049 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2F)s1 ZINC000535809888 1083698515 /nfs/dbraw/zinc/69/85/15/1083698515.db2.gz OCLLZWBGWZWIFE-XPGWFJOJSA-N 2 1 374.525 4.238 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)cc1 ZINC000684614360 1083780730 /nfs/dbraw/zinc/78/07/30/1083780730.db2.gz VSGPYDSSUPZJDS-QFIPXVFZSA-N 2 1 364.533 4.056 20 0 FIADMP Fc1cccc(OCc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000647230520 1083991145 /nfs/dbraw/zinc/99/11/45/1083991145.db2.gz VOQRMCQUEAJNFI-SFTDATJTSA-N 2 1 354.469 4.121 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000236828843 1083992776 /nfs/dbraw/zinc/99/27/76/1083992776.db2.gz ROZOQRRKWYCYRH-QGZVFWFLSA-N 2 1 368.525 4.019 20 0 FIADMP C[N@@H+](CCC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000647497004 1084241391 /nfs/dbraw/zinc/24/13/91/1084241391.db2.gz NPQMCMGYDRZEOV-UHFFFAOYSA-N 2 1 366.292 4.026 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000685837924 1084306420 /nfs/dbraw/zinc/30/64/20/1084306420.db2.gz FGUXDVJAZMKGEE-NWNNTGRJSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000685837924 1084306430 /nfs/dbraw/zinc/30/64/30/1084306430.db2.gz FGUXDVJAZMKGEE-NWNNTGRJSA-N 2 1 350.453 4.109 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000511044586 1084337673 /nfs/dbraw/zinc/33/76/73/1084337673.db2.gz CJWNDSAMABPOIQ-QGZVFWFLSA-N 2 1 351.498 4.043 20 0 FIADMP c1ccc(OCc2ccncc2)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000531142019 1084352671 /nfs/dbraw/zinc/35/26/71/1084352671.db2.gz FIUHVPLZTIFSLP-UHFFFAOYSA-N 2 1 365.521 4.157 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000511054495 1084438247 /nfs/dbraw/zinc/43/82/47/1084438247.db2.gz NCJQBMADIKNXLC-HXUWFJFHSA-N 2 1 354.885 4.204 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414079124 1084467077 /nfs/dbraw/zinc/46/70/77/1084467077.db2.gz RLXUOPRVPPSSHU-SFHVURJKSA-N 2 1 352.526 4.056 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(OC)cc1C ZINC000582089360 1084602812 /nfs/dbraw/zinc/60/28/12/1084602812.db2.gz BOQYIVOBROCMGI-UHFFFAOYSA-N 2 1 356.510 4.096 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414115705 1084605557 /nfs/dbraw/zinc/60/55/57/1084605557.db2.gz NIYRILOJGHRSSO-PKOBYXMFSA-N 2 1 350.934 4.067 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000657332985 1084610343 /nfs/dbraw/zinc/61/03/43/1084610343.db2.gz WOOABSNTURKZLH-UHFFFAOYSA-N 2 1 356.485 4.497 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000582281758 1084832664 /nfs/dbraw/zinc/83/26/64/1084832664.db2.gz FUARZKLMNRNTPS-AQKFKSFVSA-N 2 1 362.477 4.147 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c(C3CCC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415904 1084952947 /nfs/dbraw/zinc/95/29/47/1084952947.db2.gz OVQYVYXLJVCZOL-AZUAARDMSA-N 2 1 366.553 4.078 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC001167571938 1084967251 /nfs/dbraw/zinc/96/72/51/1084967251.db2.gz DYDLMIHZTVAETL-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC001167571938 1084967254 /nfs/dbraw/zinc/96/72/54/1084967254.db2.gz DYDLMIHZTVAETL-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571938 1084967256 /nfs/dbraw/zinc/96/72/56/1084967256.db2.gz DYDLMIHZTVAETL-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571938 1084967257 /nfs/dbraw/zinc/96/72/57/1084967257.db2.gz DYDLMIHZTVAETL-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC000657431178 1085011008 /nfs/dbraw/zinc/01/10/08/1085011008.db2.gz YAJJEAYNPUURIE-DEOSSOPVSA-N 2 1 364.533 4.201 20 0 FIADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000582448217 1085017676 /nfs/dbraw/zinc/01/76/76/1085017676.db2.gz WJMMMBZKEMVOBD-UHFFFAOYSA-N 2 1 372.557 4.087 20 0 FIADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000582448217 1085017682 /nfs/dbraw/zinc/01/76/82/1085017682.db2.gz WJMMMBZKEMVOBD-UHFFFAOYSA-N 2 1 372.557 4.087 20 0 FIADMP CCc1ccc([C@H]2CCCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000472584595 1085047253 /nfs/dbraw/zinc/04/72/53/1085047253.db2.gz VLJUMWKWDZFUDS-OAQYLSRUSA-N 2 1 361.574 4.175 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657462088 1085123435 /nfs/dbraw/zinc/12/34/35/1085123435.db2.gz CKHFXPKFQKGDLR-LDSNPUHRSA-N 2 1 362.945 4.411 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000048750364 1085197227 /nfs/dbraw/zinc/19/72/27/1085197227.db2.gz ZYDATFQAWSZWLO-UHFFFAOYSA-N 2 1 371.488 4.224 20 0 FIADMP C[C@@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237345186 1085403696 /nfs/dbraw/zinc/40/36/96/1085403696.db2.gz KASOZLHTUOAVST-RBUKOAKNSA-N 2 1 371.569 4.415 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237351117 1085404399 /nfs/dbraw/zinc/40/43/99/1085404399.db2.gz XJBCYXNBYOJVKQ-DYESRHJHSA-N 2 1 351.494 4.090 20 0 FIADMP C[C@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237534860 1085717734 /nfs/dbraw/zinc/71/77/34/1085717734.db2.gz KASOZLHTUOAVST-RTBURBONSA-N 2 1 371.569 4.415 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000162150155 1085996216 /nfs/dbraw/zinc/99/62/16/1085996216.db2.gz QICLGOLIHFXVIH-QYBDOPJKSA-N 2 1 370.562 4.048 20 0 FIADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162240246 1086014610 /nfs/dbraw/zinc/01/46/10/1086014610.db2.gz ZEWJBIUYACNWDY-AWEZNQCLSA-N 2 1 373.570 4.301 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc(CO)c1 ZINC000121948123 1086017678 /nfs/dbraw/zinc/01/76/78/1086017678.db2.gz FDYWTUXDEPCYAL-SFHVURJKSA-N 2 1 364.489 4.255 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCC4(CC4(F)F)CC3)CC2)cc1 ZINC000657716937 1086034793 /nfs/dbraw/zinc/03/47/93/1086034793.db2.gz MGHGRQPHOZCNGT-UHFFFAOYSA-N 2 1 366.471 4.390 20 0 FIADMP COc1cccc(Cl)c1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188465141 1086356559 /nfs/dbraw/zinc/35/65/59/1086356559.db2.gz CFGOQYUKMANYSB-OAHLLOKOSA-N 2 1 362.901 4.140 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662260327 1086380523 /nfs/dbraw/zinc/38/05/23/1086380523.db2.gz LJGCUBNWNJTZRW-QFIPXVFZSA-N 2 1 360.505 4.039 20 0 FIADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328742 1086419216 /nfs/dbraw/zinc/41/92/16/1086419216.db2.gz UOSZROVCEAWXRP-AWEZNQCLSA-N 2 1 374.479 4.096 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](CC(C)C)c3ccccn3)CC2)oc1C ZINC000162725076 1086448893 /nfs/dbraw/zinc/44/88/93/1086448893.db2.gz WLVWIRZBDMLRLX-OAQYLSRUSA-N 2 1 370.541 4.275 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CCN1C ZINC000165551045 1086537171 /nfs/dbraw/zinc/53/71/71/1086537171.db2.gz LYBXJEPTPYGUER-XXBNENTESA-N 3 1 374.532 4.171 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Br)cs1 ZINC000663465835 1086564764 /nfs/dbraw/zinc/56/47/64/1086564764.db2.gz LRVLCSPCXWZJRZ-TZMCWYRMSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663469692 1086576702 /nfs/dbraw/zinc/57/67/02/1086576702.db2.gz GVWYIUSVSQSQDH-RDJZCZTQSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663469692 1086576712 /nfs/dbraw/zinc/57/67/12/1086576712.db2.gz GVWYIUSVSQSQDH-RDJZCZTQSA-N 2 1 363.427 4.101 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000155848787 1086593142 /nfs/dbraw/zinc/59/31/42/1086593142.db2.gz CEJRGSADFXQQGB-UHFFFAOYSA-N 2 1 357.542 4.169 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511993389 1086599738 /nfs/dbraw/zinc/59/97/38/1086599738.db2.gz XIMQYFAOZPKLHL-IRYQMKRQSA-N 2 1 356.460 4.478 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000512025342 1086662145 /nfs/dbraw/zinc/66/21/45/1086662145.db2.gz PVDKNWLKTKMYLN-HXUWFJFHSA-N 2 1 365.546 4.321 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167833458 1086665901 /nfs/dbraw/zinc/66/59/01/1086665901.db2.gz BHTZUCORNZFWOM-JTHBVZDNSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167833458 1086665904 /nfs/dbraw/zinc/66/59/04/1086665904.db2.gz BHTZUCORNZFWOM-JTHBVZDNSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167833458 1086665906 /nfs/dbraw/zinc/66/59/06/1086665906.db2.gz BHTZUCORNZFWOM-JTHBVZDNSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833458 1086665909 /nfs/dbraw/zinc/66/59/09/1086665909.db2.gz BHTZUCORNZFWOM-JTHBVZDNSA-N 2 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833458 1086665911 /nfs/dbraw/zinc/66/59/11/1086665911.db2.gz BHTZUCORNZFWOM-JTHBVZDNSA-N 2 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167834822 1086690154 /nfs/dbraw/zinc/69/01/54/1086690154.db2.gz NAYQAPAUOKBXST-MOPGFXCFSA-N 2 1 369.594 4.217 20 0 FIADMP COc1cccc(OC)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044828 1086699784 /nfs/dbraw/zinc/69/97/84/1086699784.db2.gz ICOXYVGPPOBXJR-UYAOXDASSA-N 2 1 368.521 4.094 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001167837519 1086710888 /nfs/dbraw/zinc/71/08/88/1086710888.db2.gz MBEOKWYYPPCVEM-KURKYZTESA-N 2 1 352.526 4.027 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414938 1086738448 /nfs/dbraw/zinc/73/84/48/1086738448.db2.gz AXBWZQZXJIJBFM-LPHOPBHVSA-N 2 1 358.551 4.369 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)CCCO1 ZINC000432414938 1086738455 /nfs/dbraw/zinc/73/84/55/1086738455.db2.gz AXBWZQZXJIJBFM-LPHOPBHVSA-N 2 1 358.551 4.369 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422389 1086747785 /nfs/dbraw/zinc/74/77/85/1086747785.db2.gz SXRYRPBMZNVWMJ-PZJWPPBQSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422389 1086747790 /nfs/dbraw/zinc/74/77/90/1086747790.db2.gz SXRYRPBMZNVWMJ-PZJWPPBQSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425026 1086750013 /nfs/dbraw/zinc/75/00/13/1086750013.db2.gz SPUDTVTZEZPAMZ-UZLBHIALSA-N 2 1 350.934 4.272 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001167842415 1086751232 /nfs/dbraw/zinc/75/12/32/1086751232.db2.gz WYQZOYYRKSAQKT-RXVVDRJESA-N 2 1 374.569 4.266 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001167842415 1086751235 /nfs/dbraw/zinc/75/12/35/1086751235.db2.gz WYQZOYYRKSAQKT-RXVVDRJESA-N 2 1 374.569 4.266 20 0 FIADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)sc1Br ZINC000512116976 1086785505 /nfs/dbraw/zinc/78/55/05/1086785505.db2.gz QSKAIGMFAIKSSK-LBPRGKRZSA-N 2 1 357.361 4.344 20 0 FIADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717503 1086796278 /nfs/dbraw/zinc/79/62/78/1086796278.db2.gz CODLCVMSLDFCLN-UHFFFAOYSA-N 2 1 366.484 4.057 20 0 FIADMP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000512135414 1086813168 /nfs/dbraw/zinc/81/31/68/1086813168.db2.gz JYGATWGJJDFPOJ-FDIFFNORSA-N 2 1 356.460 4.132 20 0 FIADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772122 1086814096 /nfs/dbraw/zinc/81/40/96/1086814096.db2.gz ROXDOIQNXJVBMX-HXUWFJFHSA-N 2 1 366.553 4.099 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000650722570 1086819253 /nfs/dbraw/zinc/81/92/53/1086819253.db2.gz WRNDGROPTKXVQS-LMNJBCLMSA-N 2 1 374.912 4.461 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000512142911 1086824535 /nfs/dbraw/zinc/82/45/35/1086824535.db2.gz BNIUDNSMJIGLSH-UHFFFAOYSA-N 2 1 369.456 4.045 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3F)s2)C1 ZINC000650721988 1086825500 /nfs/dbraw/zinc/82/55/00/1086825500.db2.gz HYNFJGFYTZHEQN-CDHQVMDDSA-N 2 1 374.525 4.415 20 0 FIADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774403 1086849804 /nfs/dbraw/zinc/84/98/04/1086849804.db2.gz YPWFMWURUSJDSO-HXUWFJFHSA-N 2 1 361.489 4.220 20 0 FIADMP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000583663668 1086907094 /nfs/dbraw/zinc/90/70/94/1086907094.db2.gz QEXOWUIFHAMUMQ-IFMALSPDSA-N 2 1 368.569 4.287 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(Br)cc1F ZINC000650754656 1086962478 /nfs/dbraw/zinc/96/24/78/1086962478.db2.gz NVPWSUOXWZVFJJ-JTQLQIEISA-N 2 1 355.226 4.037 20 0 FIADMP C[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000583839337 1086987514 /nfs/dbraw/zinc/98/75/14/1086987514.db2.gz DDBFHEUBCKVBBB-SJPCQFCGSA-N 2 1 367.320 4.326 20 0 FIADMP C[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000583839337 1086987518 /nfs/dbraw/zinc/98/75/18/1086987518.db2.gz DDBFHEUBCKVBBB-SJPCQFCGSA-N 2 1 367.320 4.326 20 0 FIADMP C[NH+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583839337 1086987523 /nfs/dbraw/zinc/98/75/23/1086987523.db2.gz DDBFHEUBCKVBBB-SJPCQFCGSA-N 2 1 367.320 4.326 20 0 FIADMP C[NH+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583839337 1086987526 /nfs/dbraw/zinc/98/75/26/1086987526.db2.gz DDBFHEUBCKVBBB-SJPCQFCGSA-N 2 1 367.320 4.326 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530299 1087003994 /nfs/dbraw/zinc/00/39/94/1087003994.db2.gz YXTPBOMLLLCARD-TXQCQQFXSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530299 1087003998 /nfs/dbraw/zinc/00/39/98/1087003998.db2.gz YXTPBOMLLLCARD-TXQCQQFXSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530299 1087004004 /nfs/dbraw/zinc/00/40/04/1087004004.db2.gz YXTPBOMLLLCARD-TXQCQQFXSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530299 1087004009 /nfs/dbraw/zinc/00/40/09/1087004009.db2.gz YXTPBOMLLLCARD-TXQCQQFXSA-N 2 1 352.469 4.355 20 0 FIADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]1 ZINC000092813253 1087086485 /nfs/dbraw/zinc/08/64/85/1087086485.db2.gz FSXFIWWBFVDNSB-FQEVSTJZSA-N 2 1 358.489 4.386 20 0 FIADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]1 ZINC000092813253 1087086491 /nfs/dbraw/zinc/08/64/91/1087086491.db2.gz FSXFIWWBFVDNSB-FQEVSTJZSA-N 2 1 358.489 4.386 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000657836566 1087226457 /nfs/dbraw/zinc/22/64/57/1087226457.db2.gz WIGNQCNXYSZIDF-NEPJUHHUSA-N 2 1 357.723 4.237 20 0 FIADMP COc1cc2ccc([C@H](C)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2cc1OC ZINC000657837235 1087243892 /nfs/dbraw/zinc/24/38/92/1087243892.db2.gz FMHDZDIMDAYRCM-YSSFQJQWSA-N 2 1 354.494 4.134 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2cc1OC ZINC000657837235 1087243898 /nfs/dbraw/zinc/24/38/98/1087243898.db2.gz FMHDZDIMDAYRCM-YSSFQJQWSA-N 2 1 354.494 4.134 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cc2cc1OC ZINC000657837235 1087243901 /nfs/dbraw/zinc/24/39/01/1087243901.db2.gz FMHDZDIMDAYRCM-YSSFQJQWSA-N 2 1 354.494 4.134 20 0 FIADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470345 1087577499 /nfs/dbraw/zinc/57/74/99/1087577499.db2.gz HIVURJHGMAQTIL-WMZHIEFXSA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470345 1087577500 /nfs/dbraw/zinc/57/75/00/1087577500.db2.gz HIVURJHGMAQTIL-WMZHIEFXSA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470345 1087577502 /nfs/dbraw/zinc/57/75/02/1087577502.db2.gz HIVURJHGMAQTIL-WMZHIEFXSA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470345 1087577503 /nfs/dbraw/zinc/57/75/03/1087577503.db2.gz HIVURJHGMAQTIL-WMZHIEFXSA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470345 1087577505 /nfs/dbraw/zinc/57/75/05/1087577505.db2.gz HIVURJHGMAQTIL-WMZHIEFXSA-N 2 1 361.533 4.462 20 0 FIADMP Brc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062426692 1087598846 /nfs/dbraw/zinc/59/88/46/1087598846.db2.gz SBIDJOAKUZFYII-LJQANCHMSA-N 2 1 373.338 4.451 20 0 FIADMP CC[NH+](C/C=C\C[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000685589918 1087634441 /nfs/dbraw/zinc/63/44/41/1087634441.db2.gz AEFZJLHSTRAIRH-CUYMVUPESA-N 2 1 366.590 4.102 20 0 FIADMP CC[NH+](C/C=C\C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000685589918 1087634444 /nfs/dbraw/zinc/63/44/44/1087634444.db2.gz AEFZJLHSTRAIRH-CUYMVUPESA-N 2 1 366.590 4.102 20 0 FIADMP CC[NH+](C/C=C\C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000685589918 1087634448 /nfs/dbraw/zinc/63/44/48/1087634448.db2.gz AEFZJLHSTRAIRH-CUYMVUPESA-N 2 1 366.590 4.102 20 0 FIADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000685644941 1087655015 /nfs/dbraw/zinc/65/50/15/1087655015.db2.gz LUGMTANXFGPNBK-GIWBLDEGSA-N 2 1 350.506 4.195 20 0 FIADMP CCOC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000657970522 1087683092 /nfs/dbraw/zinc/68/30/92/1087683092.db2.gz FNEOXJNFXCLEER-VXGVFTFCSA-N 2 1 356.554 4.224 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C3CC3)cc2cc1OC ZINC000658030525 1087699699 /nfs/dbraw/zinc/69/96/99/1087699699.db2.gz DJLSDIWLTCMALL-INIZCTEOSA-N 2 1 356.510 4.382 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658134552 1087727943 /nfs/dbraw/zinc/72/79/43/1087727943.db2.gz BGCZWMRGJAFLNG-SIKLNZKXSA-N 2 1 374.475 4.018 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C(c3ccccc3)c3ccccc3)cc2)C1 ZINC000658137492 1087742241 /nfs/dbraw/zinc/74/22/41/1087742241.db2.gz HHCKDYHZJLMLMJ-DEOSSOPVSA-N 2 1 372.512 4.132 20 0 FIADMP FC(F)[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163736 1087758424 /nfs/dbraw/zinc/75/84/24/1087758424.db2.gz AKDOYRSLTUYYBG-NRFANRHFSA-N 2 1 373.491 4.150 20 0 FIADMP CC[C@H]1C[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@H]1[NH3+] ZINC000647934497 1087789752 /nfs/dbraw/zinc/78/97/52/1087789752.db2.gz HEFORBIVQXWKOL-HNAYVOBHSA-N 2 1 365.477 4.063 20 0 FIADMP CC[C@H]1C[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@H]1[NH3+] ZINC000647934497 1087789769 /nfs/dbraw/zinc/78/97/69/1087789769.db2.gz HEFORBIVQXWKOL-HNAYVOBHSA-N 2 1 365.477 4.063 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424260727 1087880190 /nfs/dbraw/zinc/88/01/90/1087880190.db2.gz DLEQASDLDJUYKF-GBCNUAAFSA-N 2 1 356.554 4.354 20 0 FIADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccccc3Cl)cs1)CC[NH2+]CC2 ZINC000424289660 1087899870 /nfs/dbraw/zinc/89/98/70/1087899870.db2.gz MGIFNTTVDXABLZ-AWEZNQCLSA-N 2 1 361.942 4.428 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c(Cl)c1 ZINC000424311092 1087912078 /nfs/dbraw/zinc/91/20/78/1087912078.db2.gz KNEIAZRQPQCTLZ-OAHLLOKOSA-N 2 1 359.901 4.372 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424308346 1087931520 /nfs/dbraw/zinc/93/15/20/1087931520.db2.gz ZVDPDQFIMIUHSP-JBTVTMNCSA-N 2 1 356.554 4.080 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424308348 1087931646 /nfs/dbraw/zinc/93/16/46/1087931646.db2.gz ZVDPDQFIMIUHSP-VSCRBORPSA-N 2 1 356.554 4.080 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nccs1 ZINC000186727199 1087972962 /nfs/dbraw/zinc/97/29/62/1087972962.db2.gz XBKCRDIMYFWTBY-BTHPGYMESA-N 2 1 355.551 4.137 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)ccc1F ZINC000504929641 1087996170 /nfs/dbraw/zinc/99/61/70/1087996170.db2.gz KJTSFHYXHQFVIO-QGZVFWFLSA-N 2 1 356.485 4.458 20 0 FIADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647542687 1088012330 /nfs/dbraw/zinc/01/23/30/1088012330.db2.gz ABBYVYMHAKRSCF-IRXDYDNUSA-N 2 1 359.514 4.161 20 0 FIADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414809790 1088174258 /nfs/dbraw/zinc/17/42/58/1088174258.db2.gz UMWKRKVITBISRO-WFASDCNBSA-N 2 1 355.429 4.046 20 0 FIADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414809788 1088174555 /nfs/dbraw/zinc/17/45/55/1088174555.db2.gz UMWKRKVITBISRO-SWLSCSKDSA-N 2 1 355.429 4.046 20 0 FIADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414812721 1088227389 /nfs/dbraw/zinc/22/73/89/1088227389.db2.gz ROCBMECIFKXEQD-UHFFFAOYSA-N 2 1 359.901 4.199 20 0 FIADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC000414818980 1088285312 /nfs/dbraw/zinc/28/53/12/1088285312.db2.gz XKBQXYCKSWFXSY-SNVBAGLBSA-N 2 1 355.226 4.037 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000311427431 1088376741 /nfs/dbraw/zinc/37/67/41/1088376741.db2.gz GFMNDPZIAUVGNT-MJGOQNOKSA-N 2 1 356.485 4.397 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000589836695 1088765052 /nfs/dbraw/zinc/76/50/52/1088765052.db2.gz QQEJKSMRVNZOOJ-MRXNPFEDSA-N 2 1 368.949 4.492 20 0 FIADMP CSc1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434676467 1088941972 /nfs/dbraw/zinc/94/19/72/1088941972.db2.gz REXMYMJKTXGOFF-UHFFFAOYSA-N 2 1 371.550 4.200 20 0 FIADMP Clc1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686902 1088946008 /nfs/dbraw/zinc/94/60/08/1088946008.db2.gz XWNTYZUEUBGJSL-UHFFFAOYSA-N 2 1 359.901 4.131 20 0 FIADMP c1[nH+]c(C2CC[NH+](CCCCOc3ccccc3)CC2)n2c1CCCC2 ZINC000434692665 1088948297 /nfs/dbraw/zinc/94/82/97/1088948297.db2.gz ZDRRAFDPWXOKCN-UHFFFAOYSA-N 2 1 353.510 4.258 20 0 FIADMP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644417 1089037697 /nfs/dbraw/zinc/03/76/97/1089037697.db2.gz IIKUXZXOAMBCGS-SFHVURJKSA-N 2 1 368.525 4.386 20 0 FIADMP [NH3+]CCC[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)c1ccccc1 ZINC000415060017 1089095007 /nfs/dbraw/zinc/09/50/07/1089095007.db2.gz VVOHDULUGWWOFH-FQEVSTJZSA-N 2 1 367.518 4.292 20 0 FIADMP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000425230878 1089102397 /nfs/dbraw/zinc/10/23/97/1089102397.db2.gz DINVTDYRZKYCLI-HNNXBMFYSA-N 2 1 366.896 4.343 20 0 FIADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414857465 1089123446 /nfs/dbraw/zinc/12/34/46/1089123446.db2.gz DNRJSYVYRJOFEA-UHFFFAOYSA-N 2 1 357.807 4.023 20 0 FIADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000415081492 1089136992 /nfs/dbraw/zinc/13/69/92/1089136992.db2.gz CFQJWWCZZDYTBB-XUVXKRRUSA-N 2 1 358.526 4.027 20 0 FIADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415090491 1089143828 /nfs/dbraw/zinc/14/38/28/1089143828.db2.gz OZTYXCHRWYLRJZ-RTBURBONSA-N 2 1 359.311 4.340 20 0 FIADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415093547 1089157874 /nfs/dbraw/zinc/15/78/74/1089157874.db2.gz VQZAIBHIQZDOMP-KQLYMOGASA-N 2 1 358.913 4.499 20 0 FIADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415110383 1089171445 /nfs/dbraw/zinc/17/14/45/1089171445.db2.gz SQDNKQIMKPUDBS-VSKRKVRLSA-N 2 1 366.505 4.152 20 0 FIADMP C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000415131975 1089198236 /nfs/dbraw/zinc/19/82/36/1089198236.db2.gz SWKHJKMNNAETOO-DOTOQJQBSA-N 2 1 371.912 4.009 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000435041540 1089219670 /nfs/dbraw/zinc/21/96/70/1089219670.db2.gz JOQKLURLHLTZOX-YHYVQYDKSA-N 2 1 365.521 4.004 20 0 FIADMP COc1ccc([C@H](C)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000435062145 1089251173 /nfs/dbraw/zinc/25/11/73/1089251173.db2.gz XHLBPULCUIPUCY-QGZVFWFLSA-N 2 1 353.510 4.211 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CNCc2[nH+]c(C(C)C)n3ccccc23)c1 ZINC000514609667 1089264907 /nfs/dbraw/zinc/26/49/07/1089264907.db2.gz TUGUXXFTPQNUQX-UHFFFAOYSA-N 2 1 350.510 4.199 20 0 FIADMP Cc1ccc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000505605583 1089293604 /nfs/dbraw/zinc/29/36/04/1089293604.db2.gz DHUCHLDGCFFERX-UHFFFAOYSA-N 2 1 351.538 4.157 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000472766043 1089359879 /nfs/dbraw/zinc/35/98/79/1089359879.db2.gz FISQKEPWNAXMQC-INIZCTEOSA-N 2 1 372.384 4.402 20 0 FIADMP COc1ccc2[nH]cc(C3CC[NH+](CC[C@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000472855355 1089778321 /nfs/dbraw/zinc/77/83/21/1089778321.db2.gz HDQOLDPIYLQSOJ-GOSISDBHSA-N 2 1 355.526 4.230 20 0 FIADMP c1csc(C[N@H+](Cc2cccc3ccccc32)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435686385 1089847540 /nfs/dbraw/zinc/84/75/40/1089847540.db2.gz UKKPXNUTEWOOFP-FQEVSTJZSA-N 2 1 363.530 4.441 20 0 FIADMP c1csc(C[N@@H+](Cc2cccc3ccccc32)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435686385 1089847555 /nfs/dbraw/zinc/84/75/55/1089847555.db2.gz UKKPXNUTEWOOFP-FQEVSTJZSA-N 2 1 363.530 4.441 20 0 FIADMP c1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000435745648 1089921537 /nfs/dbraw/zinc/92/15/37/1089921537.db2.gz OVPBNYGBQIVAIM-HSZRJFAPSA-N 2 1 355.570 4.038 20 0 FIADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000435793289 1089938646 /nfs/dbraw/zinc/93/86/46/1089938646.db2.gz ZGJVEQGBDNANJW-UHFFFAOYSA-N 2 1 352.526 4.248 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000549402835 1090232844 /nfs/dbraw/zinc/23/28/44/1090232844.db2.gz COLRLKWSRNQALL-UHFFFAOYSA-N 2 1 368.569 4.339 20 0 FIADMP CC(C)c1ccc(C2(O)CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000181925730 1090316737 /nfs/dbraw/zinc/31/67/37/1090316737.db2.gz GNAATXMOXBMQLI-UHFFFAOYSA-N 2 1 356.554 4.157 20 0 FIADMP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376717 1090349008 /nfs/dbraw/zinc/34/90/08/1090349008.db2.gz QSEHEKCIXZMVOZ-ACJLOTCBSA-N 2 1 352.494 4.453 20 0 FIADMP Cc1cc2oc(=O)cc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185752761 1090572452 /nfs/dbraw/zinc/57/24/52/1090572452.db2.gz GTPAKUZUSRZCSJ-QZTJIDSGSA-N 2 1 368.521 4.152 20 0 FIADMP Cc1cc2oc(=O)cc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000185752761 1090572458 /nfs/dbraw/zinc/57/24/58/1090572458.db2.gz GTPAKUZUSRZCSJ-QZTJIDSGSA-N 2 1 368.521 4.152 20 0 FIADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc4ccccc4n2)CC3)cc1 ZINC000660149243 1090649128 /nfs/dbraw/zinc/64/91/28/1090649128.db2.gz HFJVAEXADDMBGT-UHFFFAOYSA-N 2 1 372.516 4.118 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312429944 1090719106 /nfs/dbraw/zinc/71/91/06/1090719106.db2.gz IBQRLTRSVLGVAN-MBSDFSHPSA-N 2 1 365.521 4.208 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@@H]3C[C@H]3c3cccs3)CCCC2)CC1 ZINC000417311452 1090804682 /nfs/dbraw/zinc/80/46/82/1090804682.db2.gz LWDLYYIKVZQHCW-YTQUADARSA-N 2 1 362.583 4.253 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000584794819 1090896747 /nfs/dbraw/zinc/89/67/47/1090896747.db2.gz QEPLIQCEDQZXFX-PWRODBHTSA-N 2 1 358.913 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000584794819 1090896753 /nfs/dbraw/zinc/89/67/53/1090896753.db2.gz QEPLIQCEDQZXFX-PWRODBHTSA-N 2 1 358.913 4.189 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257719 1090953299 /nfs/dbraw/zinc/95/32/99/1090953299.db2.gz WDWNKXSKIYNCRS-UONOGXRCSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257719 1090953300 /nfs/dbraw/zinc/95/33/00/1090953300.db2.gz WDWNKXSKIYNCRS-UONOGXRCSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@@H](c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1)C(F)(F)F ZINC000660474366 1091592887 /nfs/dbraw/zinc/59/28/87/1091592887.db2.gz IDDUSTUFLFTNHK-LPHOPBHVSA-N 2 1 370.459 4.039 20 0 FIADMP COCc1ccccc1/C=C(\C)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512345378 1092092290 /nfs/dbraw/zinc/09/22/90/1092092290.db2.gz GJPRSEWLEJCQHF-KSHLTGEWSA-N 2 1 356.554 4.479 20 0 FIADMP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2cc(OC(F)F)ccc2[nH+]1 ZINC000428166780 1092220477 /nfs/dbraw/zinc/22/04/77/1092220477.db2.gz STHQMSRRQKCQLQ-KBXCAEBGSA-N 2 1 361.436 4.065 20 0 FIADMP Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428227630 1092260563 /nfs/dbraw/zinc/26/05/63/1092260563.db2.gz SNNVQCYBTUAVDE-BAGYTPMASA-N 2 1 353.510 4.072 20 0 FIADMP CCC[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428233213 1092272851 /nfs/dbraw/zinc/27/28/51/1092272851.db2.gz XUCPJZLBVDKYIN-YFNKSVMNSA-N 2 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428233213 1092272858 /nfs/dbraw/zinc/27/28/58/1092272858.db2.gz XUCPJZLBVDKYIN-YFNKSVMNSA-N 3 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000428233213 1092272873 /nfs/dbraw/zinc/27/28/73/1092272873.db2.gz XUCPJZLBVDKYIN-YFNKSVMNSA-N 3 1 369.597 4.141 20 0 FIADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000520899110 1092354342 /nfs/dbraw/zinc/35/43/42/1092354342.db2.gz QOSXCDKJUYACLQ-GOSISDBHSA-N 2 1 355.551 4.412 20 0 FIADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000520899110 1092354352 /nfs/dbraw/zinc/35/43/52/1092354352.db2.gz QOSXCDKJUYACLQ-GOSISDBHSA-N 2 1 355.551 4.412 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(COC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012825 1092377330 /nfs/dbraw/zinc/37/73/30/1092377330.db2.gz FOWGVZDJIPYLLS-HATOLVCRSA-N 2 1 356.554 4.224 20 0 FIADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000428248514 1092573668 /nfs/dbraw/zinc/57/36/68/1092573668.db2.gz LXAAIIDQNFNGDM-HMXCVIKNSA-N 2 1 355.551 4.232 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442712379 1092735684 /nfs/dbraw/zinc/73/56/84/1092735684.db2.gz UURRIDMJAZMVRO-FQEVSTJZSA-N 2 1 359.517 4.198 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143543267 1092754712 /nfs/dbraw/zinc/75/47/12/1092754712.db2.gz PNZNYLDGTLZAIY-UHFFFAOYSA-N 2 1 362.411 4.277 20 0 FIADMP c1cc2cc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc2[nH]1 ZINC000442806912 1092765654 /nfs/dbraw/zinc/76/56/54/1092765654.db2.gz CVZYTKQKBWXWRO-WBDAEOGXSA-N 2 1 359.517 4.496 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442790292 1092769168 /nfs/dbraw/zinc/76/91/68/1092769168.db2.gz LMGBPVAOOUVQFK-QFBILLFUSA-N 2 1 370.459 4.042 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C(C)C ZINC000110172754 1092787192 /nfs/dbraw/zinc/78/71/92/1092787192.db2.gz QKVAPYSWDDQCAU-PMACEKPBSA-N 2 1 373.585 4.015 20 0 FIADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000442896172 1092847765 /nfs/dbraw/zinc/84/77/65/1092847765.db2.gz BMPZFQGIBXLIJC-MRXNPFEDSA-N 2 1 371.912 4.153 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063956 1092924872 /nfs/dbraw/zinc/92/48/72/1092924872.db2.gz XNRHJLNQETVDAP-ROUUACIJSA-N 2 1 351.494 4.061 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)cc1F ZINC000521816801 1092935897 /nfs/dbraw/zinc/93/58/97/1092935897.db2.gz ITIXRTDTMNNSKY-AWEZNQCLSA-N 2 1 357.311 4.332 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000443099749 1092950008 /nfs/dbraw/zinc/95/00/08/1092950008.db2.gz UZWKNXUJISYUOL-CXAGYDPISA-N 2 1 358.423 4.196 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000443099751 1092950306 /nfs/dbraw/zinc/95/03/06/1092950306.db2.gz UZWKNXUJISYUOL-DYVFJYSZSA-N 2 1 358.423 4.196 20 0 FIADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512573690 1092952490 /nfs/dbraw/zinc/95/24/90/1092952490.db2.gz NSOGKGOVAYLHKP-AIZNXBIQSA-N 2 1 364.533 4.350 20 0 FIADMP C[NH+](CCOC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512573690 1092952495 /nfs/dbraw/zinc/95/24/95/1092952495.db2.gz NSOGKGOVAYLHKP-AIZNXBIQSA-N 2 1 364.533 4.350 20 0 FIADMP C[NH+](CCOC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512573690 1092952497 /nfs/dbraw/zinc/95/24/97/1092952497.db2.gz NSOGKGOVAYLHKP-AIZNXBIQSA-N 2 1 364.533 4.350 20 0 FIADMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000512614121 1092992768 /nfs/dbraw/zinc/99/27/68/1092992768.db2.gz UXGIGPGNHMPXGI-PCCBWWKXSA-N 2 1 369.578 4.193 20 0 FIADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015282 1092997268 /nfs/dbraw/zinc/99/72/68/1092997268.db2.gz QMDRBHSAFFVSEB-CUDBPUKSSA-N 2 1 357.586 4.282 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015282 1092997270 /nfs/dbraw/zinc/99/72/70/1092997270.db2.gz QMDRBHSAFFVSEB-CUDBPUKSSA-N 2 1 357.586 4.282 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015282 1092997274 /nfs/dbraw/zinc/99/72/74/1092997274.db2.gz QMDRBHSAFFVSEB-CUDBPUKSSA-N 2 1 357.586 4.282 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512630988 1093036742 /nfs/dbraw/zinc/03/67/42/1093036742.db2.gz OZIITJAICSWKRU-DZFGPLHGSA-N 2 1 355.913 4.125 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512630988 1093036753 /nfs/dbraw/zinc/03/67/53/1093036753.db2.gz OZIITJAICSWKRU-DZFGPLHGSA-N 2 1 355.913 4.125 20 0 FIADMP C[C@H](CC[N@H+]1CCC[C@]2(CCSC2)C1)[NH+]1CCC[C@]2(CCSC2)C1 ZINC000451963975 1093160560 /nfs/dbraw/zinc/16/05/60/1093160560.db2.gz IJUJKIBKINCSLS-AABGKKOBSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@]2(CCSC2)C1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963975 1093160563 /nfs/dbraw/zinc/16/05/63/1093160563.db2.gz IJUJKIBKINCSLS-AABGKKOBSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@]2(CCSC2)C1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963975 1093160569 /nfs/dbraw/zinc/16/05/69/1093160569.db2.gz IJUJKIBKINCSLS-AABGKKOBSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[N@H+]1CCC[C@@]2(CCSC2)C1)[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000451963985 1093162002 /nfs/dbraw/zinc/16/20/02/1093162002.db2.gz IJUJKIBKINCSLS-VAMGGRTRSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@@]2(CCSC2)C1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963985 1093162004 /nfs/dbraw/zinc/16/20/04/1093162004.db2.gz IJUJKIBKINCSLS-VAMGGRTRSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@@]2(CCSC2)C1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963985 1093162009 /nfs/dbraw/zinc/16/20/09/1093162009.db2.gz IJUJKIBKINCSLS-VAMGGRTRSA-N 2 1 368.656 4.203 20 0 FIADMP COc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC001168018170 1093164364 /nfs/dbraw/zinc/16/43/64/1093164364.db2.gz YUWUWFGINJATQU-IAGOWNOFSA-N 2 1 356.485 4.366 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)c1 ZINC000474076661 1093189730 /nfs/dbraw/zinc/18/97/30/1093189730.db2.gz YSCNBLYBAYVAQR-VURPSTOHSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)c1 ZINC000474076661 1093189732 /nfs/dbraw/zinc/18/97/32/1093189732.db2.gz YSCNBLYBAYVAQR-VURPSTOHSA-N 2 1 362.583 4.145 20 0 FIADMP C[C@@H]1CC([NH2+]CCCCC[NH+]2CCCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168020382 1093212110 /nfs/dbraw/zinc/21/21/10/1093212110.db2.gz MUAFSTKDJYBUGY-NHCUHLMSSA-N 2 1 357.586 4.284 20 0 FIADMP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1 ZINC000411480192 1093333836 /nfs/dbraw/zinc/33/38/36/1093333836.db2.gz XEROHEFBQWCYOZ-QFIPXVFZSA-N 2 1 356.485 4.289 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623547 1093344457 /nfs/dbraw/zinc/34/44/57/1093344457.db2.gz PURMMEJMIAMNBI-OXJNMPFZSA-N 2 1 372.944 4.410 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024243 1093383024 /nfs/dbraw/zinc/38/30/24/1093383024.db2.gz CTCIOWWHGDTTIW-VWNVYAMZSA-N 2 1 352.522 4.354 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2COCc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025871 1093442332 /nfs/dbraw/zinc/44/23/32/1093442332.db2.gz KDZWUWICMYUGNL-OXHIVJRSSA-N 2 1 350.506 4.289 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000389141372 1093454165 /nfs/dbraw/zinc/45/41/65/1093454165.db2.gz VHIMAEBOXPJVON-QKLQHJQFSA-N 2 1 356.485 4.396 20 0 FIADMP C[C@H]1CC(N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032291 1093652655 /nfs/dbraw/zinc/65/26/55/1093652655.db2.gz HHHDHVJVLRNGLS-ZJOUEHCJSA-N 2 1 357.586 4.138 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2cnn3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031839 1093655822 /nfs/dbraw/zinc/65/58/22/1093655822.db2.gz CPOCSKFDUXWLLJ-RMFSNUHRSA-N 2 1 362.521 4.105 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000237315214 1093656220 /nfs/dbraw/zinc/65/62/20/1093656220.db2.gz AJRYKSDLRNMWIH-SFHVURJKSA-N 2 1 368.521 4.062 20 0 FIADMP C[C@@H]1CC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168032536 1093660137 /nfs/dbraw/zinc/66/01/37/1093660137.db2.gz HWAXIILUEVWSIO-DAVBRLECSA-N 2 1 369.597 4.410 20 0 FIADMP C[C@@H]1CC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032536 1093660141 /nfs/dbraw/zinc/66/01/41/1093660141.db2.gz HWAXIILUEVWSIO-DAVBRLECSA-N 3 1 369.597 4.410 20 0 FIADMP C[C@@H]1CC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032536 1093660148 /nfs/dbraw/zinc/66/01/48/1093660148.db2.gz HWAXIILUEVWSIO-DAVBRLECSA-N 3 1 369.597 4.410 20 0 FIADMP C[C@H]1CC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168032539 1093661135 /nfs/dbraw/zinc/66/11/35/1093661135.db2.gz HWAXIILUEVWSIO-ZZTDLJEGSA-N 2 1 369.597 4.410 20 0 FIADMP C[C@H]1CC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032539 1093661137 /nfs/dbraw/zinc/66/11/37/1093661137.db2.gz HWAXIILUEVWSIO-ZZTDLJEGSA-N 3 1 369.597 4.410 20 0 FIADMP C[C@H]1CC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032539 1093661140 /nfs/dbraw/zinc/66/11/40/1093661140.db2.gz HWAXIILUEVWSIO-ZZTDLJEGSA-N 3 1 369.597 4.410 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000513065086 1093721484 /nfs/dbraw/zinc/72/14/84/1093721484.db2.gz QEVZVPSGFCNNOK-APWZRJJASA-N 2 1 357.567 4.199 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sc1C ZINC000513065086 1093721493 /nfs/dbraw/zinc/72/14/93/1093721493.db2.gz QEVZVPSGFCNNOK-APWZRJJASA-N 2 1 357.567 4.199 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C1 ZINC000614387523 1093805557 /nfs/dbraw/zinc/80/55/57/1093805557.db2.gz JSIRMWSWZZCBGY-SFHVURJKSA-N 2 1 360.505 4.152 20 0 FIADMP C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513144597 1093902211 /nfs/dbraw/zinc/90/22/11/1093902211.db2.gz MFPRWIKYXOKJLE-SJPCQFCGSA-N 2 1 356.432 4.031 20 0 FIADMP C[NH+](CCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513144597 1093902213 /nfs/dbraw/zinc/90/22/13/1093902213.db2.gz MFPRWIKYXOKJLE-SJPCQFCGSA-N 2 1 356.432 4.031 20 0 FIADMP C[NH+](CCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513144597 1093902217 /nfs/dbraw/zinc/90/22/17/1093902217.db2.gz MFPRWIKYXOKJLE-SJPCQFCGSA-N 2 1 356.432 4.031 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000729321119 1093962401 /nfs/dbraw/zinc/96/24/01/1093962401.db2.gz SIHQYFHZYDNJRN-LJQANCHMSA-N 2 1 357.542 4.266 20 0 FIADMP c1nc2c(n1[C@H]1CC[N@H+](Cc3cccc(-c4ccncc4)c3)C1)CCCC2 ZINC000433758684 1094082372 /nfs/dbraw/zinc/08/23/72/1094082372.db2.gz NRHQZKMWMQKNHU-NRFANRHFSA-N 2 1 358.489 4.271 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513407690 1094105479 /nfs/dbraw/zinc/10/54/79/1094105479.db2.gz HFWFWQWIHNUXPR-HOCLYGCPSA-N 2 1 351.332 4.192 20 0 FIADMP COc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1OC ZINC000513495744 1094163573 /nfs/dbraw/zinc/16/35/73/1094163573.db2.gz UPRKDIZMMIZCBM-AZUAARDMSA-N 2 1 368.521 4.094 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000513647884 1094253132 /nfs/dbraw/zinc/25/31/32/1094253132.db2.gz LJICVCJJFFRUGJ-MRXNPFEDSA-N 2 1 374.960 4.354 20 0 FIADMP CCCCc1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000501027915 1094443424 /nfs/dbraw/zinc/44/34/24/1094443424.db2.gz XMTQOYHMYARDHD-UHFFFAOYSA-N 2 1 358.555 4.229 20 0 FIADMP C[N@H+](Cc1ccc(OC(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053343 1094484693 /nfs/dbraw/zinc/48/46/93/1094484693.db2.gz RDIWNKQIWLWUKD-UHFFFAOYSA-N 2 1 361.436 4.031 20 0 FIADMP COc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000501080165 1094495928 /nfs/dbraw/zinc/49/59/28/1094495928.db2.gz NBJLSWMWBPHHJY-UHFFFAOYSA-N 2 1 359.901 4.092 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000453389302 1094551526 /nfs/dbraw/zinc/55/15/26/1094551526.db2.gz XGPHAAUHMXEYGX-VVSUKSJXSA-N 2 1 350.506 4.366 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000453389302 1094551535 /nfs/dbraw/zinc/55/15/35/1094551535.db2.gz XGPHAAUHMXEYGX-VVSUKSJXSA-N 2 1 350.506 4.366 20 0 FIADMP Fc1ccc(C(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccc(F)cc2)cc1 ZINC000501377257 1094668244 /nfs/dbraw/zinc/66/82/44/1094668244.db2.gz KBTSBMDEWOFMCT-INIZCTEOSA-N 2 1 356.460 4.171 20 0 FIADMP Cc1ccc(CCC[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000474881346 1094844298 /nfs/dbraw/zinc/84/42/98/1094844298.db2.gz VWQQKVARSJIZRM-REWPJTCUSA-N 2 1 351.538 4.213 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420321414 1094881801 /nfs/dbraw/zinc/88/18/01/1094881801.db2.gz RFVRABUNELJADC-OALUTQOASA-N 2 1 354.542 4.186 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000474923470 1094924223 /nfs/dbraw/zinc/92/42/23/1094924223.db2.gz GABBJTKOLCPADY-LXZJYRNTSA-N 2 1 374.569 4.438 20 0 FIADMP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000420939569 1095179083 /nfs/dbraw/zinc/17/90/83/1095179083.db2.gz NMDWEYCKWBFEBD-UHFFFAOYSA-N 2 1 358.913 4.197 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000502277585 1095298149 /nfs/dbraw/zinc/29/81/49/1095298149.db2.gz BIPWEYMVFHKNQH-UGKGYDQZSA-N 2 1 356.554 4.500 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168048298 1095445425 /nfs/dbraw/zinc/44/54/25/1095445425.db2.gz VFTJWXUGZKUTJV-JFDOVZFRSA-N 2 1 374.528 4.340 20 0 FIADMP CCC[C@H](C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000421380458 1095579925 /nfs/dbraw/zinc/57/99/25/1095579925.db2.gz VUZUUEXCPVRAGP-JOCHJYFZSA-N 2 1 357.586 4.062 20 0 FIADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281952745 1095777281 /nfs/dbraw/zinc/77/72/81/1095777281.db2.gz FRFGAJNLIKLSGC-HOTGVXAUSA-N 2 1 356.514 4.446 20 0 FIADMP CC[NH+](CC)C1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051872 1095855746 /nfs/dbraw/zinc/85/57/46/1095855746.db2.gz JRHQNJNFTXNQME-JHDGKUDLSA-N 2 1 357.586 4.234 20 0 FIADMP Cc1csc(C2([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CCC2)n1 ZINC000271931486 1096140888 /nfs/dbraw/zinc/14/08/88/1096140888.db2.gz DPNMKYSOQOJBNF-INIZCTEOSA-N 2 1 359.539 4.122 20 0 FIADMP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422695312 1096454363 /nfs/dbraw/zinc/45/43/63/1096454363.db2.gz PJUZAKDGMYEBLZ-DYESRHJHSA-N 2 1 369.509 4.140 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000422760735 1096476364 /nfs/dbraw/zinc/47/63/64/1096476364.db2.gz LFLUPUXOKWAHJG-ZWKOTPCHSA-N 2 1 366.553 4.163 20 0 FIADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422747205 1096480548 /nfs/dbraw/zinc/48/05/48/1096480548.db2.gz PMCLBCJLKAMUGC-TWHAJKEOSA-N 2 1 355.570 4.112 20 0 FIADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(C(F)(F)F)c1 ZINC000422840881 1096502626 /nfs/dbraw/zinc/50/26/26/1096502626.db2.gz USGANUAKTQHXTK-TZMCWYRMSA-N 2 1 353.388 4.021 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000422903101 1096520124 /nfs/dbraw/zinc/52/01/24/1096520124.db2.gz ODJOVYMGCNHTNT-RZAIGCCYSA-N 2 1 350.384 4.423 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12)c1c[nH+]ccc1N ZINC000422935774 1096529308 /nfs/dbraw/zinc/52/93/08/1096529308.db2.gz DPIPOESGJLJDOA-YBILVVRESA-N 2 1 355.485 4.442 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1Cl ZINC000422917435 1096532275 /nfs/dbraw/zinc/53/22/75/1096532275.db2.gz DWBNGYFQFRXAAP-ZLXGRDSLSA-N 2 1 360.860 4.386 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000509970453 1096537801 /nfs/dbraw/zinc/53/78/01/1096537801.db2.gz JPPSELNXYHYUAI-UHFFFAOYSA-N 2 1 374.282 4.394 20 0 FIADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423020004 1096551012 /nfs/dbraw/zinc/55/10/12/1096551012.db2.gz YFSTUJDAIZHCMN-ANULTFPQSA-N 2 1 356.897 4.253 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043650 1096559552 /nfs/dbraw/zinc/55/95/52/1096559552.db2.gz PKVOJNLYRYQHCA-MBDNFAEBSA-N 2 1 371.475 4.223 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503909252 1096592651 /nfs/dbraw/zinc/59/26/51/1096592651.db2.gz LEIKDJJSYKQBRF-GDAAHCPNSA-N 2 1 352.469 4.037 20 0 FIADMP CCCc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000414721137 1096595795 /nfs/dbraw/zinc/59/57/95/1096595795.db2.gz FUEKAFPQQCZRDH-IBGZPJMESA-N 2 1 355.551 4.240 20 0 FIADMP CCCc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000414721137 1096595803 /nfs/dbraw/zinc/59/58/03/1096595803.db2.gz FUEKAFPQQCZRDH-IBGZPJMESA-N 2 1 355.551 4.240 20 0 FIADMP Brc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423207093 1096607869 /nfs/dbraw/zinc/60/78/69/1096607869.db2.gz GPILHNLNWTZJJR-BEFAXECRSA-N 2 1 359.311 4.128 20 0 FIADMP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)cs2)cs1 ZINC000423189320 1096611242 /nfs/dbraw/zinc/61/12/42/1096611242.db2.gz PDAPEQCNIBNSTG-AWEZNQCLSA-N 2 1 372.563 4.406 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423336269 1096649913 /nfs/dbraw/zinc/64/99/13/1096649913.db2.gz ULYPDGXJQVMRCF-INIZCTEOSA-N 2 1 362.477 4.327 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000423358203 1096656028 /nfs/dbraw/zinc/65/60/28/1096656028.db2.gz BKFLMFSLUBOJFE-AKYGZRSFSA-N 2 1 371.475 4.121 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000423358205 1096656357 /nfs/dbraw/zinc/65/63/57/1096656357.db2.gz BKFLMFSLUBOJFE-KRDZULTMSA-N 2 1 371.475 4.121 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000423385217 1096662763 /nfs/dbraw/zinc/66/27/63/1096662763.db2.gz GOLSOUMQMUFVGX-ZMYBRWDISA-N 2 1 359.311 4.126 20 0 FIADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423445662 1096678004 /nfs/dbraw/zinc/67/80/04/1096678004.db2.gz MYXFZKCTPGCSKH-MXWKQRLJSA-N 2 1 368.344 4.267 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(c2)CCCN4)C3)cc1 ZINC000423437134 1096685953 /nfs/dbraw/zinc/68/59/53/1096685953.db2.gz GCUFCDFCNQMZJQ-NUNAXRQHSA-N 2 1 361.533 4.330 20 0 FIADMP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1c(C)cc(C)cc1C)c1ccccc1 ZINC000504161795 1096696027 /nfs/dbraw/zinc/69/60/27/1096696027.db2.gz GMNMYBREPANWIL-HSZRJFAPSA-N 2 1 354.538 4.411 20 0 FIADMP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1c(C)cc(C)cc1C)c1ccccc1 ZINC000504161795 1096696030 /nfs/dbraw/zinc/69/60/30/1096696030.db2.gz GMNMYBREPANWIL-HSZRJFAPSA-N 2 1 354.538 4.411 20 0 FIADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000423506031 1096701962 /nfs/dbraw/zinc/70/19/62/1096701962.db2.gz IHBASXZADNEFID-RPCJCACASA-N 2 1 369.578 4.282 20 0 FIADMP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423518622 1096712018 /nfs/dbraw/zinc/71/20/18/1096712018.db2.gz PFLOXMMJLDLOSJ-KIHHCIJBSA-N 3 1 363.549 4.252 20 0 FIADMP [NH3+]CCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000423518622 1096712023 /nfs/dbraw/zinc/71/20/23/1096712023.db2.gz PFLOXMMJLDLOSJ-KIHHCIJBSA-N 2 1 363.549 4.252 20 0 FIADMP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525780 1096713309 /nfs/dbraw/zinc/71/33/09/1096713309.db2.gz YQBFUHXFVOKSFD-LBXVMSDZSA-N 2 1 369.578 4.085 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423527859 1096713888 /nfs/dbraw/zinc/71/38/88/1096713888.db2.gz WEGPZMFBHAJIEA-CJNGLKHVSA-N 2 1 350.915 4.098 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434030 1098616682 /nfs/dbraw/zinc/61/66/82/1098616682.db2.gz PDJUTCIDVHSCHX-SIKLNZKXSA-N 2 1 372.516 4.144 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000425434030 1098616687 /nfs/dbraw/zinc/61/66/87/1098616687.db2.gz PDJUTCIDVHSCHX-SIKLNZKXSA-N 2 1 372.516 4.144 20 0 FIADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000533075672 1098742371 /nfs/dbraw/zinc/74/23/71/1098742371.db2.gz WZNJINPVDNNXRH-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000533075672 1098742384 /nfs/dbraw/zinc/74/23/84/1098742384.db2.gz WZNJINPVDNNXRH-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000533075672 1098742391 /nfs/dbraw/zinc/74/23/91/1098742391.db2.gz WZNJINPVDNNXRH-LPHOPBHVSA-N 2 1 368.443 4.076 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650116 1098805164 /nfs/dbraw/zinc/80/51/64/1098805164.db2.gz JFMUTVYOWHAATP-SFTDATJTSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650116 1098805172 /nfs/dbraw/zinc/80/51/72/1098805172.db2.gz JFMUTVYOWHAATP-SFTDATJTSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]([N@@H+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650116 1098805182 /nfs/dbraw/zinc/80/51/82/1098805182.db2.gz JFMUTVYOWHAATP-SFTDATJTSA-N 2 1 356.579 4.403 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]([N@H+]3CCC[C@]4(CCSC4)C3)CC23CC3)cc1 ZINC000515650116 1098805186 /nfs/dbraw/zinc/80/51/86/1098805186.db2.gz JFMUTVYOWHAATP-SFTDATJTSA-N 2 1 356.579 4.403 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c1 ZINC000436228287 1098836121 /nfs/dbraw/zinc/83/61/21/1098836121.db2.gz AHWXWDYJQDARCA-UHFFFAOYSA-N 2 1 354.523 4.268 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296606 1098910259 /nfs/dbraw/zinc/91/02/59/1098910259.db2.gz VFUZGRDKELLIDE-PXNSSMCTSA-N 2 1 360.542 4.022 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000436305671 1098918383 /nfs/dbraw/zinc/91/83/83/1098918383.db2.gz IYJKHWCDSNGXNL-JOCHJYFZSA-N 2 1 357.586 4.098 20 0 FIADMP CCC[N@H+](Cc1sc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533383654 1098999770 /nfs/dbraw/zinc/99/97/70/1098999770.db2.gz WIIHFKLDHTVOEQ-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP CCC[N@@H+](Cc1sc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533383654 1098999775 /nfs/dbraw/zinc/99/97/75/1098999775.db2.gz WIIHFKLDHTVOEQ-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534663 1099162239 /nfs/dbraw/zinc/16/22/39/1099162239.db2.gz ARTBFBLRCDTAGY-FOIQADDNSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000533534663 1099162246 /nfs/dbraw/zinc/16/22/46/1099162246.db2.gz ARTBFBLRCDTAGY-FOIQADDNSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000533534663 1099162253 /nfs/dbraw/zinc/16/22/53/1099162253.db2.gz ARTBFBLRCDTAGY-FOIQADDNSA-N 2 1 355.913 4.337 20 0 FIADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000533534663 1099162258 /nfs/dbraw/zinc/16/22/58/1099162258.db2.gz ARTBFBLRCDTAGY-FOIQADDNSA-N 2 1 355.913 4.337 20 0 FIADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2csc(Cl)c2Cl)c1 ZINC000432237398 1099269522 /nfs/dbraw/zinc/26/95/22/1099269522.db2.gz GGGGGXNAVTXCPV-UHFFFAOYSA-N 2 1 359.322 4.285 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505925545 1099505989 /nfs/dbraw/zinc/50/59/89/1099505989.db2.gz USIZCAVTWHOTKN-LEWJYISDSA-N 2 1 365.606 4.002 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OC(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000162289203 1099678493 /nfs/dbraw/zinc/67/84/93/1099678493.db2.gz MEVMJEWOTMZPNY-QGZVFWFLSA-N 2 1 368.525 4.200 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694339 1099827006 /nfs/dbraw/zinc/82/70/06/1099827006.db2.gz CPYNMDKYTMWMRC-DENIHFKCSA-N 2 1 352.522 4.223 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1COc2ccccc21 ZINC000508695412 1099827679 /nfs/dbraw/zinc/82/76/79/1099827679.db2.gz FKIRDUFWWYDLQR-IKLNAOFOSA-N 2 1 350.506 4.051 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000508702554 1099854171 /nfs/dbraw/zinc/85/41/71/1099854171.db2.gz ZKXCZHZWMQHWIP-IITNATTFSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710628 1099894057 /nfs/dbraw/zinc/89/40/57/1099894057.db2.gz NAZDZNSHSMPOJW-QUCCMNQESA-N 2 1 352.497 4.358 20 0 FIADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710627 1099895222 /nfs/dbraw/zinc/89/52/22/1099895222.db2.gz NAZDZNSHSMPOJW-ICSRJNTNSA-N 2 1 352.497 4.358 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709950 1099899342 /nfs/dbraw/zinc/89/93/42/1099899342.db2.gz KMABGVMTWSFDSH-DENIHFKCSA-N 2 1 351.538 4.379 20 0 FIADMP C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719423 1099909106 /nfs/dbraw/zinc/90/91/06/1099909106.db2.gz PMBGZVHOMMMZBP-PKOBYXMFSA-N 2 1 371.594 4.483 20 0 FIADMP C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721441 1099937620 /nfs/dbraw/zinc/93/76/20/1099937620.db2.gz USOMYRFZJVVIBK-IFMALSPDSA-N 2 1 351.538 4.013 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722901 1099943320 /nfs/dbraw/zinc/94/33/20/1099943320.db2.gz YQTRHQVGUUTNIR-PZJWPPBQSA-N 2 1 364.533 4.227 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)CCC4)CC2)oc1C ZINC000162738985 1099976689 /nfs/dbraw/zinc/97/66/89/1099976689.db2.gz UFWRDSDKGFGUAP-KRWDZBQOSA-N 2 1 367.537 4.343 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(C)c3C)CC2)oc1C ZINC000162732752 1099977034 /nfs/dbraw/zinc/97/70/34/1099977034.db2.gz LPMZNFICEBOPJK-GOSISDBHSA-N 2 1 355.526 4.471 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C4CC4)cc3)CC2)oc1C ZINC000459405808 1100113220 /nfs/dbraw/zinc/11/32/20/1100113220.db2.gz NPQDZQRBBPGFNO-UHFFFAOYSA-N 2 1 353.510 4.171 20 0 FIADMP Cc1ccc2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2c1 ZINC000536663751 1100138678 /nfs/dbraw/zinc/13/86/78/1100138678.db2.gz SRHUSJYPORZCQW-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697125 1100202061 /nfs/dbraw/zinc/20/20/61/1100202061.db2.gz DFOIKFSPSDMTOV-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697125 1100202071 /nfs/dbraw/zinc/20/20/71/1100202071.db2.gz DFOIKFSPSDMTOV-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697125 1100202085 /nfs/dbraw/zinc/20/20/85/1100202085.db2.gz DFOIKFSPSDMTOV-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697125 1100202104 /nfs/dbraw/zinc/20/21/04/1100202104.db2.gz DFOIKFSPSDMTOV-FQEVSTJZSA-N 2 1 356.485 4.178 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379619202 1100217643 /nfs/dbraw/zinc/21/76/43/1100217643.db2.gz BCYMFPDNAKCYGZ-WSTZPKSXSA-N 2 1 368.521 4.408 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379619202 1100217652 /nfs/dbraw/zinc/21/76/52/1100217652.db2.gz BCYMFPDNAKCYGZ-WSTZPKSXSA-N 2 1 368.521 4.408 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459473773 1100225858 /nfs/dbraw/zinc/22/58/58/1100225858.db2.gz XLFFZUFELIGRNG-PBHICJAKSA-N 2 1 372.582 4.324 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459473773 1100225870 /nfs/dbraw/zinc/22/58/70/1100225870.db2.gz XLFFZUFELIGRNG-PBHICJAKSA-N 2 1 372.582 4.324 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000536831259 1100368937 /nfs/dbraw/zinc/36/89/37/1100368937.db2.gz GVMBOJVPWFZMDZ-KEYYUXOJSA-N 2 1 353.348 4.045 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000536831258 1100370061 /nfs/dbraw/zinc/37/00/61/1100370061.db2.gz GVMBOJVPWFZMDZ-JKIFEVAISA-N 2 1 353.348 4.045 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@@H](C)C1 ZINC000536859024 1100375109 /nfs/dbraw/zinc/37/51/09/1100375109.db2.gz RKPVRMUTVRQKAA-GHTZIAJQSA-N 2 1 368.521 4.094 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@@H](C)C1 ZINC000536859024 1100375115 /nfs/dbraw/zinc/37/51/15/1100375115.db2.gz RKPVRMUTVRQKAA-GHTZIAJQSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000536859468 1100376064 /nfs/dbraw/zinc/37/60/64/1100376064.db2.gz UYNXXYJSRUBJBP-XHSDSOJGSA-N 2 1 374.447 4.125 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000536854648 1100402936 /nfs/dbraw/zinc/40/29/36/1100402936.db2.gz YMWSCRUOBLCZNI-GTNSWQLSSA-N 2 1 366.278 4.006 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1)CC(C)C ZINC000536885389 1100411486 /nfs/dbraw/zinc/41/14/86/1100411486.db2.gz LBPHDRDSLKTLGB-UHFFFAOYSA-N 2 1 362.562 4.307 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1)CC(C)C ZINC000536885389 1100411491 /nfs/dbraw/zinc/41/14/91/1100411491.db2.gz LBPHDRDSLKTLGB-UHFFFAOYSA-N 2 1 362.562 4.307 20 0 FIADMP CN(Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112015 1100436751 /nfs/dbraw/zinc/43/67/51/1100436751.db2.gz XYYRDBFXAAPAFS-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112015 1100436759 /nfs/dbraw/zinc/43/67/59/1100436759.db2.gz XYYRDBFXAAPAFS-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112015 1100436769 /nfs/dbraw/zinc/43/67/69/1100436769.db2.gz XYYRDBFXAAPAFS-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438112015 1100436782 /nfs/dbraw/zinc/43/67/82/1100436782.db2.gz XYYRDBFXAAPAFS-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112015 1100436791 /nfs/dbraw/zinc/43/67/91/1100436791.db2.gz XYYRDBFXAAPAFS-SFHVURJKSA-N 2 1 351.469 4.261 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000517537486 1100473340 /nfs/dbraw/zinc/47/33/40/1100473340.db2.gz UFDUAFUOTHVDJW-LJQANCHMSA-N 2 1 362.517 4.484 20 0 FIADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1OC(F)F ZINC000517537396 1100475706 /nfs/dbraw/zinc/47/57/06/1100475706.db2.gz RHVWGTQALAWFJH-HZPDHXFCSA-N 2 1 370.484 4.144 20 0 FIADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2)c1ccccc1 ZINC000438359846 1100617364 /nfs/dbraw/zinc/61/73/64/1100617364.db2.gz RDDXWAZETQIHDO-QFIPXVFZSA-N 2 1 365.521 4.290 20 0 FIADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2)c1ccccc1 ZINC000438359846 1100617365 /nfs/dbraw/zinc/61/73/65/1100617365.db2.gz RDDXWAZETQIHDO-QFIPXVFZSA-N 2 1 365.521 4.290 20 0 FIADMP CC[NH+](C)[C@H](C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)c1ccccc1 ZINC000438359846 1100617367 /nfs/dbraw/zinc/61/73/67/1100617367.db2.gz RDDXWAZETQIHDO-QFIPXVFZSA-N 2 1 365.521 4.290 20 0 FIADMP CC[NH+](C)[C@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)c1ccccc1 ZINC000438359846 1100617368 /nfs/dbraw/zinc/61/73/68/1100617368.db2.gz RDDXWAZETQIHDO-QFIPXVFZSA-N 2 1 365.521 4.290 20 0 FIADMP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755148 1100639213 /nfs/dbraw/zinc/63/92/13/1100639213.db2.gz OQBFYLVBMYYJGM-KSSFIOAISA-N 2 1 351.416 4.455 20 0 FIADMP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755148 1100639214 /nfs/dbraw/zinc/63/92/14/1100639214.db2.gz OQBFYLVBMYYJGM-KSSFIOAISA-N 2 1 351.416 4.455 20 0 FIADMP CCOc1c(Cl)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506388019 1100956947 /nfs/dbraw/zinc/95/69/47/1100956947.db2.gz UOFHQXITYCUKCN-UHFFFAOYSA-N 2 1 354.922 4.052 20 0 FIADMP CCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506388019 1100956951 /nfs/dbraw/zinc/95/69/51/1100956951.db2.gz UOFHQXITYCUKCN-UHFFFAOYSA-N 2 1 354.922 4.052 20 0 FIADMP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261964331 1101054576 /nfs/dbraw/zinc/05/45/76/1101054576.db2.gz HPEYDXBFKOQFNW-UHFFFAOYSA-N 2 1 353.491 4.132 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOCCc2ccccc2)C1 ZINC000506474789 1101111052 /nfs/dbraw/zinc/11/10/52/1101111052.db2.gz PPFKYGICIASALG-GMAHTHKFSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000506474789 1101111056 /nfs/dbraw/zinc/11/10/56/1101111056.db2.gz PPFKYGICIASALG-GMAHTHKFSA-N 2 1 358.570 4.222 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000506474789 1101111058 /nfs/dbraw/zinc/11/10/58/1101111058.db2.gz PPFKYGICIASALG-GMAHTHKFSA-N 2 1 358.570 4.222 20 0 FIADMP Brc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)s1 ZINC000439146572 1101200455 /nfs/dbraw/zinc/20/04/55/1101200455.db2.gz NCKPQBPJXULECY-HEHGZKQESA-N 2 1 355.345 4.178 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Br)ccc1F ZINC000518765571 1101522594 /nfs/dbraw/zinc/52/25/94/1101522594.db2.gz NCSOIKXJYZAILS-CQSZACIVSA-N 2 1 357.311 4.332 20 0 FIADMP CC(C)(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000537292242 1101611385 /nfs/dbraw/zinc/61/13/85/1101611385.db2.gz HGFGVTLLGMFWAI-PMACEKPBSA-N 2 1 350.522 4.130 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000537308406 1101636772 /nfs/dbraw/zinc/63/67/72/1101636772.db2.gz VXPSMDJBKNDTSY-DOPJRALCSA-N 2 1 362.901 4.115 20 0 FIADMP c1[nH]nc2c1cccc2C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000519012029 1101827064 /nfs/dbraw/zinc/82/70/64/1101827064.db2.gz LDOMTBARBLGVIZ-UHFFFAOYSA-N 2 1 360.505 4.051 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168168723 1101829579 /nfs/dbraw/zinc/82/95/79/1101829579.db2.gz UTSMHIZLCMMOGJ-NDXORKPFSA-N 2 1 357.929 4.438 20 0 FIADMP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168279059 1101829982 /nfs/dbraw/zinc/82/99/82/1101829982.db2.gz HYGAFPIVHOVJOA-QHCPKHFHSA-N 2 1 364.533 4.149 20 0 FIADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168279059 1101829991 /nfs/dbraw/zinc/82/99/91/1101829991.db2.gz HYGAFPIVHOVJOA-QHCPKHFHSA-N 2 1 364.533 4.149 20 0 FIADMP Brc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cs1 ZINC000035251068 1101952068 /nfs/dbraw/zinc/95/20/68/1101952068.db2.gz UXHKFUWWASALPO-UHFFFAOYSA-N 2 1 365.340 4.265 20 0 FIADMP FC(F)(F)c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(C(F)(F)F)c1 ZINC000262005423 1102003998 /nfs/dbraw/zinc/00/39/98/1102003998.db2.gz LTSXRZPUXPRUGQ-UHFFFAOYSA-N 2 1 366.349 4.300 20 0 FIADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440104592 1102032723 /nfs/dbraw/zinc/03/27/23/1102032723.db2.gz LCMFPEXMHQBSIJ-QFIPXVFZSA-N 2 1 369.553 4.061 20 0 FIADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000536870780 1102052580 /nfs/dbraw/zinc/05/25/80/1102052580.db2.gz QGZQRJIZORSALL-DYVFJYSZSA-N 2 1 350.304 4.331 20 0 FIADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001168284119 1102054759 /nfs/dbraw/zinc/05/47/59/1102054759.db2.gz RPDKLDNXMBGCLX-HSZRJFAPSA-N 2 1 364.533 4.006 20 0 FIADMP Cc1ccc(-c2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)cc1 ZINC000655733426 1102189459 /nfs/dbraw/zinc/18/94/59/1102189459.db2.gz NCTROAARFFPXNT-QHCPKHFHSA-N 2 1 350.506 4.005 20 0 FIADMP C[N@@H+](CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CCCCC1 ZINC000120782955 1102264583 /nfs/dbraw/zinc/26/45/83/1102264583.db2.gz BWFUEAHNXBLCPI-UHFFFAOYSA-N 2 1 369.553 4.063 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000532442264 1102330019 /nfs/dbraw/zinc/33/00/19/1102330019.db2.gz GLBKPHOHMWADFJ-AEFFLSMTSA-N 2 1 369.534 4.134 20 0 FIADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000532441918 1102330516 /nfs/dbraw/zinc/33/05/16/1102330516.db2.gz LFIMDDBNRNAHRN-MAUKXSAKSA-N 2 1 363.958 4.041 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000550074798 1102391639 /nfs/dbraw/zinc/39/16/39/1102391639.db2.gz DTLWSBVTBAZQIE-UHFFFAOYSA-N 2 1 363.505 4.397 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)cc1 ZINC000121554157 1102415438 /nfs/dbraw/zinc/41/54/38/1102415438.db2.gz HGWMJJPMOPNKDP-KGVIQGDOSA-N 2 1 363.505 4.386 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000122409874 1102574613 /nfs/dbraw/zinc/57/46/13/1102574613.db2.gz BWIUMEVWPXMYLL-GCJKJVERSA-N 2 1 372.553 4.114 20 0 FIADMP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167975433 1102637540 /nfs/dbraw/zinc/63/75/40/1102637540.db2.gz PDXKSSXEHVRPEA-YQQQUEKLSA-N 2 1 374.956 4.341 20 0 FIADMP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167975433 1102637543 /nfs/dbraw/zinc/63/75/43/1102637543.db2.gz PDXKSSXEHVRPEA-YQQQUEKLSA-N 2 1 374.956 4.341 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881685 1102651759 /nfs/dbraw/zinc/65/17/59/1102651759.db2.gz BDYZAMNLLFVBIF-OFNKIYASSA-N 2 1 364.533 4.266 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252155 1102652145 /nfs/dbraw/zinc/65/21/45/1102652145.db2.gz NIOYDKDECIFXHO-GMAHTHKFSA-N 2 1 364.533 4.053 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252155 1102652155 /nfs/dbraw/zinc/65/21/55/1102652155.db2.gz NIOYDKDECIFXHO-GMAHTHKFSA-N 2 1 364.533 4.053 20 0 FIADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550881906 1102653342 /nfs/dbraw/zinc/65/33/42/1102653342.db2.gz FVONANQCVCXADB-BDTNDASRSA-N 2 1 370.581 4.330 20 0 FIADMP CN(c1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21)C1CC[NH+](C)CC1 ZINC000537649687 1102684050 /nfs/dbraw/zinc/68/40/50/1102684050.db2.gz VOCWBGUMCAFOHV-YADHBBJMSA-N 2 1 373.610 4.077 20 0 FIADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[NH+](C)C)cc1 ZINC000551014267 1102790642 /nfs/dbraw/zinc/79/06/42/1102790642.db2.gz QVTVMSDUIKGDRF-VABKMULXSA-N 2 1 351.538 4.023 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551029726 1102808219 /nfs/dbraw/zinc/80/82/19/1102808219.db2.gz PYRFMRZCDBYEPZ-DZFGPLHGSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551029726 1102808235 /nfs/dbraw/zinc/80/82/35/1102808235.db2.gz PYRFMRZCDBYEPZ-DZFGPLHGSA-N 2 1 368.521 4.060 20 0 FIADMP CN(C)c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032628 1102836836 /nfs/dbraw/zinc/83/68/36/1102836836.db2.gz WTBWVORRJVEVOC-NZQKXSOJSA-N 2 1 374.532 4.226 20 0 FIADMP CN(C)c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2ccccc2n1 ZINC000551032628 1102836855 /nfs/dbraw/zinc/83/68/55/1102836855.db2.gz WTBWVORRJVEVOC-NZQKXSOJSA-N 2 1 374.532 4.226 20 0 FIADMP CN1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000551051007 1102863998 /nfs/dbraw/zinc/86/39/98/1102863998.db2.gz MFANXCOBLBXERG-VXKWHMMOSA-N 2 1 350.506 4.401 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000506863161 1102925557 /nfs/dbraw/zinc/92/55/57/1102925557.db2.gz UYDFDCDEBBMIET-UHFFFAOYSA-N 2 1 354.542 4.125 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459366257 1102931127 /nfs/dbraw/zinc/93/11/27/1102931127.db2.gz BMYLXJRPHJHOGU-KRWDZBQOSA-N 2 1 350.510 4.018 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000506873476 1102935398 /nfs/dbraw/zinc/93/53/98/1102935398.db2.gz GJDNRTGLJLGEAS-UHFFFAOYSA-N 2 1 358.555 4.149 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(C)c1OC ZINC000551201598 1102976811 /nfs/dbraw/zinc/97/68/11/1102976811.db2.gz WIOMNQHHLZGSPL-HFSMHLIXSA-N 2 1 368.521 4.498 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(C)c1OC ZINC000551201598 1102976816 /nfs/dbraw/zinc/97/68/16/1102976816.db2.gz WIOMNQHHLZGSPL-HFSMHLIXSA-N 2 1 368.521 4.498 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000476978123 1102991575 /nfs/dbraw/zinc/99/15/75/1102991575.db2.gz AHQVYVJXCPXGNM-KRWDZBQOSA-N 2 1 357.498 4.411 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000476978123 1102991580 /nfs/dbraw/zinc/99/15/80/1102991580.db2.gz AHQVYVJXCPXGNM-KRWDZBQOSA-N 2 1 357.498 4.411 20 0 FIADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000476991926 1102995598 /nfs/dbraw/zinc/99/55/98/1102995598.db2.gz ZQRORMIVUGJARG-IBGZPJMESA-N 2 1 371.569 4.218 20 0 FIADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000476991926 1102995601 /nfs/dbraw/zinc/99/56/01/1102995601.db2.gz ZQRORMIVUGJARG-IBGZPJMESA-N 2 1 371.569 4.218 20 0 FIADMP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476985654 1103003745 /nfs/dbraw/zinc/00/37/45/1103003745.db2.gz OJTFPMZTAADFNR-VQTJNVASSA-N 2 1 371.569 4.014 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000476988149 1103005548 /nfs/dbraw/zinc/00/55/48/1103005548.db2.gz UKMRZOXDUWAHPP-IBGZPJMESA-N 2 1 358.574 4.475 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000476988149 1103005558 /nfs/dbraw/zinc/00/55/58/1103005558.db2.gz UKMRZOXDUWAHPP-IBGZPJMESA-N 2 1 358.574 4.475 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265618 1103025285 /nfs/dbraw/zinc/02/52/85/1103025285.db2.gz WZSJKWBFFVXCFF-RJGXRXQPSA-N 2 1 368.565 4.084 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)CC2CCCC2)CC1 ZINC000551302731 1103059131 /nfs/dbraw/zinc/05/91/31/1103059131.db2.gz YBYIGTPJVUZVTH-UVKLAMSESA-N 2 1 358.570 4.208 20 0 FIADMP CCOc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1O ZINC000459382720 1103105068 /nfs/dbraw/zinc/10/50/68/1103105068.db2.gz WXHIJUKBVBUZOO-SFHVURJKSA-N 2 1 368.521 4.313 20 0 FIADMP COCc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746441 1103161255 /nfs/dbraw/zinc/16/12/55/1103161255.db2.gz GAMNZIWAHKWLRQ-CVDCTZTESA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746441 1103161262 /nfs/dbraw/zinc/16/12/62/1103161262.db2.gz GAMNZIWAHKWLRQ-CVDCTZTESA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746441 1103161267 /nfs/dbraw/zinc/16/12/67/1103161267.db2.gz GAMNZIWAHKWLRQ-CVDCTZTESA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000532746441 1103161272 /nfs/dbraw/zinc/16/12/72/1103161272.db2.gz GAMNZIWAHKWLRQ-CVDCTZTESA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746440 1103161543 /nfs/dbraw/zinc/16/15/43/1103161543.db2.gz GAMNZIWAHKWLRQ-AUSIDOKSSA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746440 1103161550 /nfs/dbraw/zinc/16/15/50/1103161550.db2.gz GAMNZIWAHKWLRQ-AUSIDOKSSA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746440 1103161558 /nfs/dbraw/zinc/16/15/58/1103161558.db2.gz GAMNZIWAHKWLRQ-AUSIDOKSSA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746440 1103161569 /nfs/dbraw/zinc/16/15/69/1103161569.db2.gz GAMNZIWAHKWLRQ-AUSIDOKSSA-N 2 1 352.522 4.318 20 0 FIADMP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000551533212 1103331263 /nfs/dbraw/zinc/33/12/63/1103331263.db2.gz LSFNZAOVGYPZBK-CQSZACIVSA-N 2 1 351.922 4.191 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3cccc(C[NH+]4CCCCCC4)c3)cn2c1 ZINC000551536748 1103338185 /nfs/dbraw/zinc/33/81/85/1103338185.db2.gz SNXDZUXUPRCBJH-UHFFFAOYSA-N 2 1 362.521 4.309 20 0 FIADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000507464022 1103409557 /nfs/dbraw/zinc/40/95/57/1103409557.db2.gz WAZISVKBHFEFDX-OTWHNJEPSA-N 2 1 367.537 4.104 20 0 FIADMP CCc1cccnc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000507481386 1103425631 /nfs/dbraw/zinc/42/56/31/1103425631.db2.gz CRUAUDXMGTYCMH-MOXWOTFGSA-N 2 1 351.538 4.451 20 0 FIADMP CCc1cccnc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000507481386 1103425638 /nfs/dbraw/zinc/42/56/38/1103425638.db2.gz CRUAUDXMGTYCMH-MOXWOTFGSA-N 2 1 351.538 4.451 20 0 FIADMP C[NH+]1CCC([NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187961761 1103555871 /nfs/dbraw/zinc/55/58/71/1103555871.db2.gz GENOXHCXDRBMST-KRWDZBQOSA-N 2 1 355.295 4.113 20 0 FIADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000551778469 1103624559 /nfs/dbraw/zinc/62/45/59/1103624559.db2.gz ITGDRIZJWDDVMX-IAGOWNOFSA-N 2 1 368.949 4.279 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1)CC1CC1 ZINC000551787431 1103642572 /nfs/dbraw/zinc/64/25/72/1103642572.db2.gz PZGQJDLDFVEGCW-UHFFFAOYSA-N 2 1 358.574 4.108 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000519721303 1103801470 /nfs/dbraw/zinc/80/14/70/1103801470.db2.gz HEZVMLSNCAJZDR-UHFFFAOYSA-N 2 1 371.916 4.401 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000519721303 1103801486 /nfs/dbraw/zinc/80/14/86/1103801486.db2.gz HEZVMLSNCAJZDR-UHFFFAOYSA-N 2 1 371.916 4.401 20 0 FIADMP COC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789934 1103853494 /nfs/dbraw/zinc/85/34/94/1103853494.db2.gz IDSRTACGPAATKR-NQIIRXRSSA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789934 1103853507 /nfs/dbraw/zinc/85/35/07/1103853507.db2.gz IDSRTACGPAATKR-NQIIRXRSSA-N 2 1 358.913 4.139 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519816569 1103881799 /nfs/dbraw/zinc/88/17/99/1103881799.db2.gz OSNZGBJQDLKMQI-PZJWPPBQSA-N 2 1 351.538 4.168 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccn(C2CCCC2)n1 ZINC000537840797 1103964062 /nfs/dbraw/zinc/96/40/62/1103964062.db2.gz GTBQMTHHBISUCH-UHFFFAOYSA-N 2 1 367.541 4.132 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000188115035 1103993406 /nfs/dbraw/zinc/99/34/06/1103993406.db2.gz XTQRITGCQBHJTA-GGAORHGYSA-N 2 1 364.537 4.162 20 0 FIADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cscn1 ZINC000538193966 1104028968 /nfs/dbraw/zinc/02/89/68/1104028968.db2.gz GCSDCCBGVPGJQR-FGTMMUONSA-N 2 1 373.566 4.003 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000520210967 1104188128 /nfs/dbraw/zinc/18/81/28/1104188128.db2.gz HRQVXEWJNBSIBW-INIZCTEOSA-N 2 1 374.960 4.390 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccc(SC)cc2)CC1 ZINC000441216678 1104200566 /nfs/dbraw/zinc/20/05/66/1104200566.db2.gz FDNNYNXVFKRJOG-UHFFFAOYSA-N 2 1 350.572 4.231 20 0 FIADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441386499 1104323585 /nfs/dbraw/zinc/32/35/85/1104323585.db2.gz FGROTJJZRJWSMW-WOJBJXKFSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441386499 1104323595 /nfs/dbraw/zinc/32/35/95/1104323595.db2.gz FGROTJJZRJWSMW-WOJBJXKFSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441386499 1104323606 /nfs/dbraw/zinc/32/36/06/1104323606.db2.gz FGROTJJZRJWSMW-WOJBJXKFSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441386499 1104323621 /nfs/dbraw/zinc/32/36/21/1104323621.db2.gz FGROTJJZRJWSMW-WOJBJXKFSA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccc([C@@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995481 1104515547 /nfs/dbraw/zinc/51/55/47/1104515547.db2.gz GZXOYOKRAIVZNK-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP COc1ccc([C@@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995481 1104515557 /nfs/dbraw/zinc/51/55/57/1104515557.db2.gz GZXOYOKRAIVZNK-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP COc1ccc([C@@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167995481 1104515563 /nfs/dbraw/zinc/51/55/63/1104515563.db2.gz GZXOYOKRAIVZNK-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP COc1ccc([C@@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167995481 1104515567 /nfs/dbraw/zinc/51/55/67/1104515567.db2.gz GZXOYOKRAIVZNK-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ncc(Br)cc1F ZINC000427604221 1105044714 /nfs/dbraw/zinc/04/47/14/1105044714.db2.gz OEVCOYGXUQZREK-ZIAGYGMSSA-N 2 1 372.326 4.288 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375738 1105061551 /nfs/dbraw/zinc/06/15/51/1105061551.db2.gz PYOHKYIQFNZOEA-UONOGXRCSA-N 2 1 358.473 4.476 20 0 FIADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152396549 1105082436 /nfs/dbraw/zinc/08/24/36/1105082436.db2.gz CIESYYXQQVODRH-DZGCQCFKSA-N 2 1 359.514 4.393 20 0 FIADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008127 1105158937 /nfs/dbraw/zinc/15/89/37/1105158937.db2.gz CTJRMMJYALOGQE-JLVBRIDZSA-N 2 1 356.901 4.092 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000507830623 1105230962 /nfs/dbraw/zinc/23/09/62/1105230962.db2.gz MOCVMXHGWCPCCX-IBGZPJMESA-N 2 1 371.352 4.460 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](Cc3ccccc3)C(C)C)CCCC2)CC1 ZINC000427693132 1105241849 /nfs/dbraw/zinc/24/18/49/1105241849.db2.gz FWWHSBNFVIJCLS-JOCHJYFZSA-N 2 1 358.570 4.267 20 0 FIADMP C[C@@H](CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)[NH+]1CCCCC1 ZINC000427870542 1105305224 /nfs/dbraw/zinc/30/52/24/1105305224.db2.gz ZREHRZYSWAASDN-WMLDXEAASA-N 2 1 355.448 4.332 20 0 FIADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000665254926 1105358334 /nfs/dbraw/zinc/35/83/34/1105358334.db2.gz CNGBHFVPINZTIM-JLSDUUJJSA-N 2 1 358.448 4.242 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC1CCOCC1 ZINC000390872992 1106775699 /nfs/dbraw/zinc/77/56/99/1106775699.db2.gz QTDIMJPYAHHEIV-QFIPXVFZSA-N 2 1 358.570 4.474 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC1CCOCC1 ZINC000390872992 1106775718 /nfs/dbraw/zinc/77/57/18/1106775718.db2.gz QTDIMJPYAHHEIV-QFIPXVFZSA-N 2 1 358.570 4.474 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000301274197 1106978472 /nfs/dbraw/zinc/97/84/72/1106978472.db2.gz RPMWMJFXUSJDKA-OAHLLOKOSA-N 2 1 360.299 4.062 20 0 FIADMP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301461107 1107037837 /nfs/dbraw/zinc/03/78/37/1107037837.db2.gz IXTZEZBCBLAIQZ-CQSZACIVSA-N 2 1 362.315 4.165 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301461107 1107037851 /nfs/dbraw/zinc/03/78/51/1107037851.db2.gz IXTZEZBCBLAIQZ-CQSZACIVSA-N 2 1 362.315 4.165 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C/c2ccc(Br)cc2)CC[N@@H+]1C ZINC000530666145 1107222637 /nfs/dbraw/zinc/22/26/37/1107222637.db2.gz TUYQRHVJPUBSJS-VVEVLUTRSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CC/C=C/c2ccc(Br)cc2)CC[N@H+]1C ZINC000530666145 1107222648 /nfs/dbraw/zinc/22/26/48/1107222648.db2.gz TUYQRHVJPUBSJS-VVEVLUTRSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CC/C=C/c2ccc(Br)cc2)CC[NH+]1C ZINC000530666145 1107222661 /nfs/dbraw/zinc/22/26/61/1107222661.db2.gz TUYQRHVJPUBSJS-VVEVLUTRSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CC/C=C/c2ccc(Br)cc2)CC[NH+]1C ZINC000530666145 1107222671 /nfs/dbraw/zinc/22/26/71/1107222671.db2.gz TUYQRHVJPUBSJS-VVEVLUTRSA-N 2 1 351.332 4.267 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)CC[N@H+]1C ZINC000152433975 1107434921 /nfs/dbraw/zinc/43/49/21/1107434921.db2.gz BLFCHZNKVUXLLN-GOEBONIOSA-N 2 1 371.352 4.114 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000531490023 1107927532 /nfs/dbraw/zinc/92/75/32/1107927532.db2.gz PGFYTNLBOTZKFN-UHFFFAOYSA-N 2 1 374.488 4.158 20 0 FIADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000444607187 1108016899 /nfs/dbraw/zinc/01/68/99/1108016899.db2.gz HAJGAGVARSVUDQ-IBGZPJMESA-N 2 1 365.521 4.466 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000531676619 1108063515 /nfs/dbraw/zinc/06/35/15/1108063515.db2.gz YVWQTMPPUVIJQC-DNVFCKCGSA-N 2 1 374.532 4.358 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531712112 1108091189 /nfs/dbraw/zinc/09/11/89/1108091189.db2.gz JCPHYYUBRBNBJI-DMKPSLHHSA-N 2 1 370.459 4.038 20 0 FIADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054020 1108131851 /nfs/dbraw/zinc/13/18/51/1108131851.db2.gz BLJJHOCZKGFGSK-FXAWDEMLSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054020 1108131857 /nfs/dbraw/zinc/13/18/57/1108131857.db2.gz BLJJHOCZKGFGSK-FXAWDEMLSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2sccc21 ZINC000453059814 1108136646 /nfs/dbraw/zinc/13/66/46/1108136646.db2.gz AHRGJRBXELXSRI-LAUBAEHRSA-N 2 1 369.578 4.224 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453120111 1108186977 /nfs/dbraw/zinc/18/69/77/1108186977.db2.gz BTUPIYWGNGUODV-VIZSFHNOSA-N 2 1 351.538 4.436 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453120111 1108186985 /nfs/dbraw/zinc/18/69/85/1108186985.db2.gz BTUPIYWGNGUODV-VIZSFHNOSA-N 2 1 351.538 4.436 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2sccc21 ZINC000453198627 1108266690 /nfs/dbraw/zinc/26/66/90/1108266690.db2.gz QHUUNOIGCCPYCJ-BPAFIMBUSA-N 2 1 356.535 4.043 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1nccs1 ZINC000453204119 1108272903 /nfs/dbraw/zinc/27/29/03/1108272903.db2.gz VTZSLLVIJNCCBA-AFYVEPGGSA-N 2 1 355.551 4.279 20 0 FIADMP Cc1ccc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)cn2c1 ZINC000531909717 1108358775 /nfs/dbraw/zinc/35/87/75/1108358775.db2.gz KGCALTKYBOHUQL-LJQANCHMSA-N 2 1 354.542 4.119 20 0 FIADMP Cc1ccc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cn2c1 ZINC000531909717 1108358793 /nfs/dbraw/zinc/35/87/93/1108358793.db2.gz KGCALTKYBOHUQL-LJQANCHMSA-N 2 1 354.542 4.119 20 0 FIADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453313931 1108402425 /nfs/dbraw/zinc/40/24/25/1108402425.db2.gz DYMKUZNZCHRMJW-SBOSXTITSA-N 2 1 358.570 4.470 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000453363022 1108477550 /nfs/dbraw/zinc/47/75/50/1108477550.db2.gz QGIBWFFJDXMLQK-BVSLBCMMSA-N 2 1 365.521 4.332 20 0 FIADMP c1nc(C2CC2)oc1C[NH2+][C@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453363022 1108477558 /nfs/dbraw/zinc/47/75/58/1108477558.db2.gz QGIBWFFJDXMLQK-BVSLBCMMSA-N 2 1 365.521 4.332 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1cc(C)ccc1C ZINC000453375537 1108493686 /nfs/dbraw/zinc/49/36/86/1108493686.db2.gz XWANMRBJRIRIKQ-VOBGVNJCSA-N 2 1 352.526 4.073 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cc(C)ccc1C ZINC000453375537 1108493691 /nfs/dbraw/zinc/49/36/91/1108493691.db2.gz XWANMRBJRIRIKQ-VOBGVNJCSA-N 2 1 352.526 4.073 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cc1 ZINC000531982892 1108500146 /nfs/dbraw/zinc/50/01/46/1108500146.db2.gz AZGHZESPCGIERX-HOTGVXAUSA-N 2 1 353.441 4.438 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453602529 1108653635 /nfs/dbraw/zinc/65/36/35/1108653635.db2.gz WNZLNHHONAGNQR-UHFFFAOYSA-N 2 1 360.933 4.107 20 0 FIADMP c1cc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)cc2c1OCC2 ZINC000532205724 1108694705 /nfs/dbraw/zinc/69/47/05/1108694705.db2.gz GJFLAQYHSKAAAA-UHFFFAOYSA-N 2 1 362.517 4.253 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207230 1108695146 /nfs/dbraw/zinc/69/51/46/1108695146.db2.gz UZUWLWGAYDECAZ-ZHRRBRCNSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207230 1108695155 /nfs/dbraw/zinc/69/51/55/1108695155.db2.gz UZUWLWGAYDECAZ-ZHRRBRCNSA-N 2 1 370.924 4.338 20 0 FIADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000532188188 1108698726 /nfs/dbraw/zinc/69/87/26/1108698726.db2.gz IPHZRKJPAWJIJT-IBGZPJMESA-N 2 1 352.522 4.493 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000532193767 1108702175 /nfs/dbraw/zinc/70/21/75/1108702175.db2.gz ZNAYFBQWQDFPTE-XMSQKQJNSA-N 2 1 362.521 4.004 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCCC2(C)C)c1)C1CCOCC1 ZINC000532214014 1108715832 /nfs/dbraw/zinc/71/58/32/1108715832.db2.gz NTCHXMWAWHFEAT-JOCHJYFZSA-N 2 1 374.569 4.235 20 0 FIADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CCCCC2)cc1OC ZINC000532223340 1108722412 /nfs/dbraw/zinc/72/24/12/1108722412.db2.gz KCCIVBBCVYPITK-WSTZPKSXSA-N 2 1 374.569 4.224 20 0 FIADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525267187 1109324691 /nfs/dbraw/zinc/32/46/91/1109324691.db2.gz OFLQPXBLEQCHBT-JOCHJYFZSA-N 2 1 371.613 4.201 20 0 FIADMP Clc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000525307284 1109333322 /nfs/dbraw/zinc/33/33/22/1109333322.db2.gz HNHZWBQLLNJZBV-UHFFFAOYSA-N 2 1 357.325 4.070 20 0 FIADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000447066334 1109428424 /nfs/dbraw/zinc/42/84/24/1109428424.db2.gz DXLKTXHGYYTPDS-UHFFFAOYSA-N 2 1 354.494 4.483 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000525708989 1109488101 /nfs/dbraw/zinc/48/81/01/1109488101.db2.gz APKHJHHBYBCRQT-QFBILLFUSA-N 2 1 364.493 4.013 20 0 FIADMP CCO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000447577577 1109593784 /nfs/dbraw/zinc/59/37/84/1109593784.db2.gz IIYLVXGPLIGTLE-AJSBUHFISA-N 2 1 352.522 4.264 20 0 FIADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447608316 1109601419 /nfs/dbraw/zinc/60/14/19/1109601419.db2.gz VCHTZRKNOSJPNO-ADHNFCLRSA-N 2 1 355.570 4.036 20 0 FIADMP Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H]21 ZINC000527749395 1109820721 /nfs/dbraw/zinc/82/07/21/1109820721.db2.gz KDGXWOQPAZVHDP-BDTNDASRSA-N 2 1 352.909 4.232 20 0 FIADMP Clc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)[C@H]21 ZINC000527749747 1109820946 /nfs/dbraw/zinc/82/09/46/1109820946.db2.gz PTAIYLGONCULPW-YTFSRNRJSA-N 2 1 366.936 4.275 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C2CC2)cn1 ZINC000527840996 1109836686 /nfs/dbraw/zinc/83/66/86/1109836686.db2.gz FYTQJJZQGMUNHJ-AMHTUMDSSA-N 2 1 365.521 4.184 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C2CC2)cn1 ZINC000527840996 1109836691 /nfs/dbraw/zinc/83/66/91/1109836691.db2.gz FYTQJJZQGMUNHJ-AMHTUMDSSA-N 2 1 365.521 4.184 20 0 FIADMP COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OC)c1 ZINC000527921852 1109863014 /nfs/dbraw/zinc/86/30/14/1109863014.db2.gz VOWLJFCYQBKRIG-AOMKIAJQSA-N 2 1 365.477 4.228 20 0 FIADMP C[C@H](C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000449014885 1109954391 /nfs/dbraw/zinc/95/43/91/1109954391.db2.gz AKAFNUQDDBNVHX-QGZVFWFLSA-N 2 1 373.491 4.102 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449067430 1109967341 /nfs/dbraw/zinc/96/73/41/1109967341.db2.gz LJGJGFWZYQDEIW-INIZCTEOSA-N 2 1 355.295 4.038 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084109 1109970500 /nfs/dbraw/zinc/97/05/00/1109970500.db2.gz WOAVNHSDEOZESG-YADHBBJMSA-N 3 1 371.613 4.184 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084109 1109970502 /nfs/dbraw/zinc/97/05/02/1109970502.db2.gz WOAVNHSDEOZESG-YADHBBJMSA-N 2 1 371.613 4.184 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084109 1109970504 /nfs/dbraw/zinc/97/05/04/1109970504.db2.gz WOAVNHSDEOZESG-YADHBBJMSA-N 2 1 371.613 4.184 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449132265 1109981709 /nfs/dbraw/zinc/98/17/09/1109981709.db2.gz TUZUKRSRSFDVCV-LJQANCHMSA-N 2 1 357.567 4.138 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449132265 1109981710 /nfs/dbraw/zinc/98/17/10/1109981710.db2.gz TUZUKRSRSFDVCV-LJQANCHMSA-N 2 1 357.567 4.138 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2coc3ccccc23)[C@H](C)C1 ZINC000449143862 1109984989 /nfs/dbraw/zinc/98/49/89/1109984989.db2.gz XXCJBXMDBNSNOS-OPYAIIAOSA-N 2 1 358.526 4.090 20 0 FIADMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449174690 1109989029 /nfs/dbraw/zinc/98/90/29/1109989029.db2.gz IILVDOQTFFUXCP-UHFFFAOYSA-N 2 1 370.516 4.113 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455987 1109995142 /nfs/dbraw/zinc/99/51/42/1109995142.db2.gz KWKCHVMSGWPGBY-CRAIPNDOSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000528455987 1109995146 /nfs/dbraw/zinc/99/51/46/1109995146.db2.gz KWKCHVMSGWPGBY-CRAIPNDOSA-N 2 1 363.427 4.101 20 0 FIADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000449326553 1110026373 /nfs/dbraw/zinc/02/63/73/1110026373.db2.gz XDMJLGJMMUOZMR-INIZCTEOSA-N 2 1 359.514 4.113 20 0 FIADMP CC1(C)C[N@@H+](Cc2cncs2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413882 1110055552 /nfs/dbraw/zinc/05/55/52/1110055552.db2.gz KNFRCVCXQJYZOR-FQEVSTJZSA-N 2 1 355.551 4.266 20 0 FIADMP Cc1nocc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449411217 1110062664 /nfs/dbraw/zinc/06/26/64/1110062664.db2.gz AOCABBKUSRATTC-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP COc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000449460265 1110077999 /nfs/dbraw/zinc/07/79/99/1110077999.db2.gz NHUINDMLBVAPGT-YQQQUEKLSA-N 2 1 371.912 4.029 20 0 FIADMP COc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1Cl ZINC000449460265 1110078003 /nfs/dbraw/zinc/07/80/03/1110078003.db2.gz NHUINDMLBVAPGT-YQQQUEKLSA-N 2 1 371.912 4.029 20 0 FIADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449562043 1110111079 /nfs/dbraw/zinc/11/10/79/1110111079.db2.gz ZNTIHVYOVDNNJE-QBUWPKIASA-N 2 1 365.359 4.375 20 0 FIADMP Clc1ccc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1Cl ZINC001168116342 1110266025 /nfs/dbraw/zinc/26/60/25/1110266025.db2.gz UYYSBYNQNDWYLF-MRXNPFEDSA-N 2 1 357.325 4.323 20 0 FIADMP Clc1ccc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1Cl ZINC001168116342 1110266029 /nfs/dbraw/zinc/26/60/29/1110266029.db2.gz UYYSBYNQNDWYLF-MRXNPFEDSA-N 2 1 357.325 4.323 20 0 FIADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450610044 1110319612 /nfs/dbraw/zinc/31/96/12/1110319612.db2.gz GHLKXUMPVITFOY-INIZCTEOSA-N 2 1 370.459 4.028 20 0 FIADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450610044 1110319614 /nfs/dbraw/zinc/31/96/14/1110319614.db2.gz GHLKXUMPVITFOY-INIZCTEOSA-N 2 1 370.459 4.028 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000538392765 1111121165 /nfs/dbraw/zinc/12/11/65/1111121165.db2.gz MLWZZMNOUVWAHL-UHFFFAOYSA-N 2 1 367.324 4.101 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000538392765 1111121169 /nfs/dbraw/zinc/12/11/69/1111121169.db2.gz MLWZZMNOUVWAHL-UHFFFAOYSA-N 2 1 367.324 4.101 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000538410877 1111130545 /nfs/dbraw/zinc/13/05/45/1111130545.db2.gz LHXIRIGBCSCLII-PZJWPPBQSA-N 2 1 374.532 4.420 20 0 FIADMP C[N@H+]1CC=C(C[NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000538446209 1111144402 /nfs/dbraw/zinc/14/44/02/1111144402.db2.gz NVXYAPDLRVRDDY-UHFFFAOYSA-N 2 1 368.333 4.468 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000538446209 1111144403 /nfs/dbraw/zinc/14/44/03/1111144403.db2.gz NVXYAPDLRVRDDY-UHFFFAOYSA-N 2 1 368.333 4.468 20 0 FIADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000538498326 1111160324 /nfs/dbraw/zinc/16/03/24/1111160324.db2.gz WKUNCNNHBHQQJH-REWPJTCUSA-N 2 1 373.585 4.221 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccccc12 ZINC000538799118 1111295374 /nfs/dbraw/zinc/29/53/74/1111295374.db2.gz OKCUGSZJBCRHTK-AVRDEDQJSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc12 ZINC000538799118 1111295376 /nfs/dbraw/zinc/29/53/76/1111295376.db2.gz OKCUGSZJBCRHTK-AVRDEDQJSA-N 2 1 350.506 4.297 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1)CC1CC1 ZINC000538857517 1111321865 /nfs/dbraw/zinc/32/18/65/1111321865.db2.gz CTUCPENWRVIDDR-UHFFFAOYSA-N 2 1 370.585 4.016 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000538950049 1111356771 /nfs/dbraw/zinc/35/67/71/1111356771.db2.gz RXDFRIPZFBAPBP-UHFFFAOYSA-N 2 1 371.569 4.022 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000538950049 1111356774 /nfs/dbraw/zinc/35/67/74/1111356774.db2.gz RXDFRIPZFBAPBP-UHFFFAOYSA-N 2 1 371.569 4.022 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000461794422 1111359061 /nfs/dbraw/zinc/35/90/61/1111359061.db2.gz ASMVNZHYWUBHBM-QGZVFWFLSA-N 2 1 358.476 4.050 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000539037796 1111397982 /nfs/dbraw/zinc/39/79/82/1111397982.db2.gz SMIOCYQFEFUFDN-OTUUDDROSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000539037796 1111397986 /nfs/dbraw/zinc/39/79/86/1111397986.db2.gz SMIOCYQFEFUFDN-OTUUDDROSA-N 2 1 364.533 4.407 20 0 FIADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000539068555 1111417416 /nfs/dbraw/zinc/41/74/16/1111417416.db2.gz UFERFJSMBDUAPK-ZAAXVRCTSA-N 2 1 359.489 4.291 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1)CC(C)C ZINC000539099067 1111432047 /nfs/dbraw/zinc/43/20/47/1111432047.db2.gz SOVZMPZRGTYSEL-KRWDZBQOSA-N 2 1 367.603 4.431 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1)CC(C)C ZINC000539099067 1111432050 /nfs/dbraw/zinc/43/20/50/1111432050.db2.gz SOVZMPZRGTYSEL-KRWDZBQOSA-N 2 1 367.603 4.431 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000462123519 1111505893 /nfs/dbraw/zinc/50/58/93/1111505893.db2.gz QQRQISMXXLZUNL-UXHICEINSA-N 2 1 366.549 4.484 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)[C@@H](C)C1 ZINC000552089862 1111570879 /nfs/dbraw/zinc/57/08/79/1111570879.db2.gz XPEAXGPLEBLKSU-KBPBESRZSA-N 2 1 371.388 4.252 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)CC1 ZINC000552092410 1111572902 /nfs/dbraw/zinc/57/29/02/1111572902.db2.gz SRPJMXGPMDKRRR-HXUWFJFHSA-N 2 1 369.578 4.015 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)[C@@H](C)C1 ZINC000477855764 1111579464 /nfs/dbraw/zinc/57/94/64/1111579464.db2.gz IUSUUQNLMCZSAM-BLLLJJGKSA-N 2 1 354.325 4.337 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000477936154 1111607079 /nfs/dbraw/zinc/60/70/79/1111607079.db2.gz KVNXZCJHOVYBNJ-CQSZACIVSA-N 2 1 354.922 4.130 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000552277187 1111655984 /nfs/dbraw/zinc/65/59/84/1111655984.db2.gz QPUTULRWORPCRM-GXRSIYKFSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000552281684 1111658853 /nfs/dbraw/zinc/65/88/53/1111658853.db2.gz GLMOTNNRPVZVEJ-OQIJWPOYSA-N 2 1 354.460 4.465 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479074948 1111944498 /nfs/dbraw/zinc/94/44/98/1111944498.db2.gz HSTHTNLCSMYBLC-FZKQIMNGSA-N 2 1 362.315 4.257 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479332418 1111994299 /nfs/dbraw/zinc/99/42/99/1111994299.db2.gz SZJXLXUQIMQNIN-UGKGYDQZSA-N 2 1 366.553 4.351 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000479335859 1111999277 /nfs/dbraw/zinc/99/92/77/1111999277.db2.gz MWSWXZBFGCJHSM-MPGHIAIKSA-N 2 1 363.343 4.388 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465790 1112034743 /nfs/dbraw/zinc/03/47/43/1112034743.db2.gz PXPNPRJMPSYHFX-RXVVDRJESA-N 2 1 354.469 4.151 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000479465790 1112034747 /nfs/dbraw/zinc/03/47/47/1112034747.db2.gz PXPNPRJMPSYHFX-RXVVDRJESA-N 2 1 354.469 4.151 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000479466316 1112041807 /nfs/dbraw/zinc/04/18/07/1112041807.db2.gz RLQLWBDPXIQRPN-YLJYHZDGSA-N 2 1 356.510 4.474 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)[C@H](C)C1 ZINC000479525680 1112052428 /nfs/dbraw/zinc/05/24/28/1112052428.db2.gz IFIZLZVYNVTENJ-XPGWFJOJSA-N 2 1 350.934 4.054 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000479854584 1112163376 /nfs/dbraw/zinc/16/33/76/1112163376.db2.gz WBXRBLLYPNLINA-QFIPXVFZSA-N 2 1 350.506 4.463 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(F)cn1 ZINC000554070923 1112181786 /nfs/dbraw/zinc/18/17/86/1112181786.db2.gz BJUXZLYSBAMPNF-IAGOWNOFSA-N 2 1 371.500 4.455 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(F)cn1 ZINC000554070923 1112181788 /nfs/dbraw/zinc/18/17/88/1112181788.db2.gz BJUXZLYSBAMPNF-IAGOWNOFSA-N 2 1 371.500 4.455 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c(F)cn1 ZINC000554071046 1112182717 /nfs/dbraw/zinc/18/27/17/1112182717.db2.gz FSJGVOREIAAOMQ-KRWDZBQOSA-N 2 1 371.500 4.312 20 0 FIADMP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000554148709 1112214709 /nfs/dbraw/zinc/21/47/09/1112214709.db2.gz SASDFNFWWNKVNF-UHFFFAOYSA-N 2 1 371.569 4.009 20 0 FIADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccccc1OCc1cccnc1 ZINC000479965922 1112216485 /nfs/dbraw/zinc/21/64/85/1112216485.db2.gz NVNUTQPTGIDZIL-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccccc1OCc1cccnc1 ZINC000479965922 1112216487 /nfs/dbraw/zinc/21/64/87/1112216487.db2.gz NVNUTQPTGIDZIL-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP COC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000480008818 1112235319 /nfs/dbraw/zinc/23/53/19/1112235319.db2.gz BJASYIASEVFGKM-INIZCTEOSA-N 2 1 358.448 4.292 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)[C@H](C)C1 ZINC000480190268 1112327645 /nfs/dbraw/zinc/32/76/45/1112327645.db2.gz AIROJJASDNFEBX-IFMALSPDSA-N 2 1 358.570 4.225 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480623131 1112514972 /nfs/dbraw/zinc/51/49/72/1112514972.db2.gz HTYCBQARDDGFRR-IAGOWNOFSA-N 2 1 357.542 4.222 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000480643852 1112518515 /nfs/dbraw/zinc/51/85/15/1112518515.db2.gz SYHKYGRDOOUQCB-MSOLQXFVSA-N 2 1 372.532 4.483 20 0 FIADMP COc1cccc(CCC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000554852106 1112530083 /nfs/dbraw/zinc/53/00/83/1112530083.db2.gz RWEWZDVUXZRVCI-FQEVSTJZSA-N 2 1 372.578 4.452 20 0 FIADMP Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000554858680 1112533359 /nfs/dbraw/zinc/53/33/59/1112533359.db2.gz UDBLIZNJJBUCAE-RPWUZVMVSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000554858680 1112533363 /nfs/dbraw/zinc/53/33/63/1112533363.db2.gz UDBLIZNJJBUCAE-RPWUZVMVSA-N 2 1 363.549 4.309 20 0 FIADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000554858680 1112533365 /nfs/dbraw/zinc/53/33/65/1112533365.db2.gz UDBLIZNJJBUCAE-RPWUZVMVSA-N 2 1 363.549 4.309 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2nccn2-c2ccccc2)C1 ZINC000480665509 1112544178 /nfs/dbraw/zinc/54/41/78/1112544178.db2.gz XVIVOPKMOXPATM-FQEVSTJZSA-N 2 1 374.532 4.394 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710636 1112564969 /nfs/dbraw/zinc/56/49/69/1112564969.db2.gz PHRUIMJWQCUJBI-VAPSRWTKSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710636 1112564975 /nfs/dbraw/zinc/56/49/75/1112564975.db2.gz PHRUIMJWQCUJBI-VAPSRWTKSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710636 1112564978 /nfs/dbraw/zinc/56/49/78/1112564978.db2.gz PHRUIMJWQCUJBI-VAPSRWTKSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480710636 1112564983 /nfs/dbraw/zinc/56/49/83/1112564983.db2.gz PHRUIMJWQCUJBI-VAPSRWTKSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710636 1112564989 /nfs/dbraw/zinc/56/49/89/1112564989.db2.gz PHRUIMJWQCUJBI-VAPSRWTKSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710636 1112564993 /nfs/dbraw/zinc/56/49/93/1112564993.db2.gz PHRUIMJWQCUJBI-VAPSRWTKSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710636 1112564997 /nfs/dbraw/zinc/56/49/97/1112564997.db2.gz PHRUIMJWQCUJBI-VAPSRWTKSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710630 1112565272 /nfs/dbraw/zinc/56/52/72/1112565272.db2.gz PHRUIMJWQCUJBI-DWQJTFDBSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710630 1112565277 /nfs/dbraw/zinc/56/52/77/1112565277.db2.gz PHRUIMJWQCUJBI-DWQJTFDBSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710630 1112565282 /nfs/dbraw/zinc/56/52/82/1112565282.db2.gz PHRUIMJWQCUJBI-DWQJTFDBSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480710630 1112565287 /nfs/dbraw/zinc/56/52/87/1112565287.db2.gz PHRUIMJWQCUJBI-DWQJTFDBSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710630 1112565297 /nfs/dbraw/zinc/56/52/97/1112565297.db2.gz PHRUIMJWQCUJBI-DWQJTFDBSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710630 1112565302 /nfs/dbraw/zinc/56/53/02/1112565302.db2.gz PHRUIMJWQCUJBI-DWQJTFDBSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000480710630 1112565309 /nfs/dbraw/zinc/56/53/09/1112565309.db2.gz PHRUIMJWQCUJBI-DWQJTFDBSA-N 2 1 369.597 4.140 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000480713550 1112566727 /nfs/dbraw/zinc/56/67/27/1112566727.db2.gz WMJANZIROTXJDL-LJQANCHMSA-N 2 1 365.359 4.234 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc2ccccc21 ZINC000480892269 1112646248 /nfs/dbraw/zinc/64/62/48/1112646248.db2.gz YLPHUQISKUXIQZ-HXUWFJFHSA-N 2 1 373.544 4.438 20 0 FIADMP FC(F)(F)c1cc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)ccn1 ZINC001168365132 1112692098 /nfs/dbraw/zinc/69/20/98/1112692098.db2.gz MGQKGYYOULLWSJ-SFHVURJKSA-N 2 1 353.432 4.016 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000481241245 1112823141 /nfs/dbraw/zinc/82/31/41/1112823141.db2.gz JZRKZDHLFZPZDN-KXBFYZLASA-N 2 1 373.368 4.263 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000555418479 1112825160 /nfs/dbraw/zinc/82/51/60/1112825160.db2.gz ULELOOPRXOYXDT-UHFFFAOYSA-N 2 1 361.574 4.084 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000555418324 1112832141 /nfs/dbraw/zinc/83/21/41/1112832141.db2.gz JHNALEHCFVDKQN-QGZVFWFLSA-N 2 1 362.315 4.127 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000481304528 1112877274 /nfs/dbraw/zinc/87/72/74/1112877274.db2.gz HZCGVODCRKYLJF-HXUWFJFHSA-N 2 1 374.532 4.496 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000481331034 1112903307 /nfs/dbraw/zinc/90/33/07/1112903307.db2.gz HJEZLVSIZZPSOD-KRWDZBQOSA-N 2 1 356.485 4.458 20 0 FIADMP C[N@H+]1CCC[C@]2(CC[NH+](CC/C=C/c3ccc(Br)cc3)C2)C1 ZINC000555597416 1112941416 /nfs/dbraw/zinc/94/14/16/1112941416.db2.gz HGBFDRYFPFRVPH-XUYKHGSPSA-N 2 1 363.343 4.270 20 0 FIADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC/C=C\c3ccc(Br)cc3)C2)C1 ZINC000555597413 1112941607 /nfs/dbraw/zinc/94/16/07/1112941607.db2.gz HGBFDRYFPFRVPH-QDVBSOPMSA-N 2 1 363.343 4.270 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539029 1112972693 /nfs/dbraw/zinc/97/26/93/1112972693.db2.gz XNWRJBNFBOZRSC-DYESRHJHSA-N 2 1 368.521 4.304 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539029 1112972695 /nfs/dbraw/zinc/97/26/95/1112972695.db2.gz XNWRJBNFBOZRSC-DYESRHJHSA-N 2 1 368.521 4.304 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc2c(s1)CCC2 ZINC000481549926 1112978701 /nfs/dbraw/zinc/97/87/01/1112978701.db2.gz ZDVJBXHLIQGPGX-DLBZAZTESA-N 2 1 370.562 4.308 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc2c(s1)CCC2 ZINC000481549926 1112978702 /nfs/dbraw/zinc/97/87/02/1112978702.db2.gz ZDVJBXHLIQGPGX-DLBZAZTESA-N 2 1 370.562 4.308 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000481557438 1112980993 /nfs/dbraw/zinc/98/09/93/1112980993.db2.gz AOMXJYIUFUWBQO-IBGZPJMESA-N 2 1 351.425 4.106 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(=O)OC)cc1 ZINC000556038139 1113119809 /nfs/dbraw/zinc/11/98/09/1113119809.db2.gz LSPTXVUZGLEDPK-QFIPXVFZSA-N 2 1 366.505 4.179 20 0 FIADMP COC(=O)c1ccccc1-c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000481919479 1113132534 /nfs/dbraw/zinc/13/25/34/1113132534.db2.gz SHOADAAHCLAMPV-UHFFFAOYSA-N 2 1 370.493 4.038 20 0 FIADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000481919479 1113132538 /nfs/dbraw/zinc/13/25/38/1113132538.db2.gz SHOADAAHCLAMPV-UHFFFAOYSA-N 2 1 370.493 4.038 20 0 FIADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000481996047 1113151537 /nfs/dbraw/zinc/15/15/37/1113151537.db2.gz ZOLANJMSVSNUCR-NZQKXSOJSA-N 2 1 364.533 4.156 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482117624 1113174367 /nfs/dbraw/zinc/17/43/67/1113174367.db2.gz AIJLJPXTNFNWGG-SIKLNZKXSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC[N@H+]1C ZINC000482121602 1113181782 /nfs/dbraw/zinc/18/17/82/1113181782.db2.gz DCSBZUIGEAFHPB-HTAPYJJXSA-N 2 1 350.506 4.251 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434944 1113253595 /nfs/dbraw/zinc/25/35/95/1113253595.db2.gz HGGDXCWGMARFSB-NFBKMPQASA-N 2 1 352.522 4.301 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442953 1113257981 /nfs/dbraw/zinc/25/79/81/1113257981.db2.gz ZYHSOWFROUIPPV-YKSBVNFPSA-N 2 1 364.533 4.227 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000482457208 1113261620 /nfs/dbraw/zinc/26/16/20/1113261620.db2.gz JRWWFWPXYLPCKV-YFXJRYMSSA-N 2 1 352.522 4.219 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000482457208 1113261623 /nfs/dbraw/zinc/26/16/23/1113261623.db2.gz JRWWFWPXYLPCKV-YFXJRYMSSA-N 2 1 352.522 4.219 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4ccccc4C[C@H]3C)CC2)cs1 ZINC000482866980 1113381453 /nfs/dbraw/zinc/38/14/53/1113381453.db2.gz MZTBCIUGPJFSQR-ZHRRBRCNSA-N 2 1 369.578 4.441 20 0 FIADMP Cc1sc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)nc1C(C)C ZINC000482877824 1113387473 /nfs/dbraw/zinc/38/74/73/1113387473.db2.gz SDXWGOGKJZBCRE-OAHLLOKOSA-N 2 1 361.555 4.366 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2ccccc2)c1 ZINC000482883673 1113392004 /nfs/dbraw/zinc/39/20/04/1113392004.db2.gz AJDHXUOMHUKMDX-XXBNENTESA-N 2 1 352.522 4.241 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000483128735 1113448859 /nfs/dbraw/zinc/44/88/59/1113448859.db2.gz QGUJKLAOTVHGTK-BKULYWANSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000483128735 1113448862 /nfs/dbraw/zinc/44/88/62/1113448862.db2.gz QGUJKLAOTVHGTK-BKULYWANSA-N 2 1 363.549 4.156 20 0 FIADMP C[N@H+](Cc1ccc(OCC2CC2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000483312962 1113485166 /nfs/dbraw/zinc/48/51/66/1113485166.db2.gz UFCDMABMUDNMIJ-UHFFFAOYSA-N 2 1 365.521 4.219 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000486236166 1113532558 /nfs/dbraw/zinc/53/25/58/1113532558.db2.gz LKRHLFGGSRUSTA-DLTYFMDKSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000486236166 1113532559 /nfs/dbraw/zinc/53/25/59/1113532559.db2.gz LKRHLFGGSRUSTA-DLTYFMDKSA-N 2 1 364.533 4.407 20 0 FIADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000486521726 1113590369 /nfs/dbraw/zinc/59/03/69/1113590369.db2.gz XAIMUVYCQQSQBA-PXNSSMCTSA-N 2 1 370.562 4.417 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000668713663 1113680851 /nfs/dbraw/zinc/68/08/51/1113680851.db2.gz XAIXGMZKMHSPEF-UGKGYDQZSA-N 2 1 364.533 4.215 20 0 FIADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489659454 1114151387 /nfs/dbraw/zinc/15/13/87/1114151387.db2.gz ORPDBKVLOWKYCJ-KRWDZBQOSA-N 2 1 370.541 4.272 20 0 FIADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489659454 1114151389 /nfs/dbraw/zinc/15/13/89/1114151389.db2.gz ORPDBKVLOWKYCJ-KRWDZBQOSA-N 2 1 370.541 4.272 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)C1 ZINC000151136043 1114299854 /nfs/dbraw/zinc/29/98/54/1114299854.db2.gz MCZIQFHHLPOOFH-KBPBESRZSA-N 2 1 358.498 4.392 20 0 FIADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988138 1114359466 /nfs/dbraw/zinc/35/94/66/1114359466.db2.gz OOAFNTGYNCUZIE-WOIUINJBSA-N 2 1 357.586 4.003 20 0 FIADMP OC1(c2ccccc2)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000760647689 1114401975 /nfs/dbraw/zinc/40/19/75/1114401975.db2.gz FHZPOIQXAFSMCC-UHFFFAOYSA-N 2 1 364.533 4.071 20 0 FIADMP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709497 1114601841 /nfs/dbraw/zinc/60/18/41/1114601841.db2.gz BZTILJMRGZXTHX-BZUAXINKSA-N 2 1 368.924 4.361 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000572157440 1114607312 /nfs/dbraw/zinc/60/73/12/1114607312.db2.gz WGXPLXGTBZVSEH-IBGZPJMESA-N 2 1 354.469 4.121 20 0 FIADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000572157440 1114607315 /nfs/dbraw/zinc/60/73/15/1114607315.db2.gz WGXPLXGTBZVSEH-IBGZPJMESA-N 2 1 354.469 4.121 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2OC(F)F)C[C@H]1C ZINC000572211983 1114622134 /nfs/dbraw/zinc/62/21/34/1114622134.db2.gz NXBDIZQVHVJWNY-DEYMUQAISA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2OC(F)F)C[C@H]1C ZINC000572211983 1114622137 /nfs/dbraw/zinc/62/21/37/1114622137.db2.gz NXBDIZQVHVJWNY-DEYMUQAISA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2OC(F)F)C[C@H]1C ZINC000572211983 1114622142 /nfs/dbraw/zinc/62/21/42/1114622142.db2.gz NXBDIZQVHVJWNY-DEYMUQAISA-N 2 1 352.469 4.496 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2OC(F)F)C[C@@H]1C ZINC000572211985 1114622332 /nfs/dbraw/zinc/62/23/32/1114622332.db2.gz NXBDIZQVHVJWNY-QUJHGWJTSA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2OC(F)F)C[C@@H]1C ZINC000572211985 1114622335 /nfs/dbraw/zinc/62/23/35/1114622335.db2.gz NXBDIZQVHVJWNY-QUJHGWJTSA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2OC(F)F)C[C@@H]1C ZINC000572211985 1114622337 /nfs/dbraw/zinc/62/23/37/1114622337.db2.gz NXBDIZQVHVJWNY-QUJHGWJTSA-N 2 1 352.469 4.496 20 0 FIADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168394757 1114849350 /nfs/dbraw/zinc/84/93/50/1114849350.db2.gz GEPNVTCWMNQUHU-AWEZNQCLSA-N 2 1 351.332 4.316 20 0 FIADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787205 1114974072 /nfs/dbraw/zinc/97/40/72/1114974072.db2.gz UUDUHDBKHIWQKK-GOSISDBHSA-N 2 1 359.558 4.189 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572999975 1114998961 /nfs/dbraw/zinc/99/89/61/1114998961.db2.gz FYACATDYXFRFBW-OAQYLSRUSA-N 2 1 356.554 4.370 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572999975 1114998963 /nfs/dbraw/zinc/99/89/63/1114998963.db2.gz FYACATDYXFRFBW-OAQYLSRUSA-N 2 1 356.554 4.370 20 0 FIADMP Cc1cc(N2CCC([NH2+]CCc3ccc(C(C)(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000573259909 1115087137 /nfs/dbraw/zinc/08/71/37/1115087137.db2.gz USFPOPIENHHTMV-UHFFFAOYSA-N 2 1 366.553 4.192 20 0 FIADMP CSC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000591582305 1115109455 /nfs/dbraw/zinc/10/94/55/1115109455.db2.gz FVILLRLTOXNCEO-HOTGVXAUSA-N 2 1 358.473 4.374 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccsc4)cc3)C2)CC1 ZINC000573527668 1115135330 /nfs/dbraw/zinc/13/53/30/1115135330.db2.gz GVBHGBBPCHIGLO-JOCHJYFZSA-N 2 1 369.578 4.015 20 0 FIADMP COc1ccccc1-c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000573726733 1115177991 /nfs/dbraw/zinc/17/79/91/1115177991.db2.gz YDSUKKOCVQRDIV-WCRBZPEASA-N 2 1 350.506 4.419 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000573726733 1115177992 /nfs/dbraw/zinc/17/79/92/1115177992.db2.gz YDSUKKOCVQRDIV-WCRBZPEASA-N 2 1 350.506 4.419 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000573726733 1115177993 /nfs/dbraw/zinc/17/79/93/1115177993.db2.gz YDSUKKOCVQRDIV-WCRBZPEASA-N 2 1 350.506 4.419 20 0 FIADMP Cc1ccncc1CCC[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573725761 1115178035 /nfs/dbraw/zinc/17/80/35/1115178035.db2.gz NTLFNMQDYLDYCM-IFMALSPDSA-N 2 1 351.538 4.213 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168402760 1115341108 /nfs/dbraw/zinc/34/11/08/1115341108.db2.gz GTPQLMDLBXBKMO-VSDWSMLSSA-N 2 1 352.497 4.326 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001168402760 1115341110 /nfs/dbraw/zinc/34/11/10/1115341110.db2.gz GTPQLMDLBXBKMO-VSDWSMLSSA-N 2 1 352.497 4.326 20 0 FIADMP Cc1ccc2cc[nH+]c(N3CCC([NH2+]CCOc4ccccc4)CC3)c2c1 ZINC000574395729 1115359650 /nfs/dbraw/zinc/35/96/50/1115359650.db2.gz LHFYRCVJHZJYOM-UHFFFAOYSA-N 2 1 361.489 4.181 20 0 FIADMP Cc1sc(C2([NH2+][C@H]3CCC[C@H]([NH3+])C3)CCC2)nc1-c1ccccc1F ZINC000574531242 1115413354 /nfs/dbraw/zinc/41/33/54/1115413354.db2.gz OCRYYLYHZNKNMP-GJZGRUSLSA-N 2 1 359.514 4.496 20 0 FIADMP Cn1c[nH+]cc1CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000574999382 1115529214 /nfs/dbraw/zinc/52/92/14/1115529214.db2.gz BYRZMAVVWXCKHT-OAQYLSRUSA-N 2 1 355.432 4.205 20 0 FIADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000597061658 1115637115 /nfs/dbraw/zinc/63/71/15/1115637115.db2.gz WABGMCBINJLBFU-UHFFFAOYSA-N 2 1 364.917 4.013 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000597225866 1115651047 /nfs/dbraw/zinc/65/10/47/1115651047.db2.gz MFVWZUREPPECDX-QFIPXVFZSA-N 2 1 373.585 4.040 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc3c2CCOC3)CC1)CC(C)C ZINC001168414337 1115771267 /nfs/dbraw/zinc/77/12/67/1115771267.db2.gz PBTILZZAMPDIOX-UHFFFAOYSA-N 2 1 358.570 4.339 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000062426974 1115925916 /nfs/dbraw/zinc/92/59/16/1115925916.db2.gz ZEQMQWLVVRHJTM-LJQANCHMSA-N 2 1 356.485 4.225 20 0 FIADMP c1cncc(COc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)c1 ZINC000606447888 1115944956 /nfs/dbraw/zinc/94/49/56/1115944956.db2.gz LMSNNRPDDWDHCU-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)c1 ZINC000606447888 1115944958 /nfs/dbraw/zinc/94/49/58/1115944958.db2.gz LMSNNRPDDWDHCU-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP Clc1cc(Cl)cc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000607735457 1116056287 /nfs/dbraw/zinc/05/62/87/1116056287.db2.gz VTYVMKKOHSEMDR-QGZVFWFLSA-N 2 1 357.325 4.323 20 0 FIADMP Clc1cc(Cl)cc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000607735457 1116056289 /nfs/dbraw/zinc/05/62/89/1116056289.db2.gz VTYVMKKOHSEMDR-QGZVFWFLSA-N 2 1 357.325 4.323 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000608061240 1116079856 /nfs/dbraw/zinc/07/98/56/1116079856.db2.gz IEUXEKXMUUMRBI-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000608054538 1116082007 /nfs/dbraw/zinc/08/20/07/1116082007.db2.gz HSNIJOSFRIGWNK-UHFFFAOYSA-N 2 1 350.506 4.469 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000534315486 1116183785 /nfs/dbraw/zinc/18/37/85/1116183785.db2.gz ASLIDDSGBUBOME-HXUWFJFHSA-N 2 1 351.498 4.086 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000534315486 1116183786 /nfs/dbraw/zinc/18/37/86/1116183786.db2.gz ASLIDDSGBUBOME-HXUWFJFHSA-N 2 1 351.498 4.086 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793792 1116237537 /nfs/dbraw/zinc/23/75/37/1116237537.db2.gz PRHPDXBFRUDQNU-BZNIZROVSA-N 2 1 357.723 4.021 20 0 FIADMP Cn1cnc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc21 ZINC000539405775 1116332166 /nfs/dbraw/zinc/33/21/66/1116332166.db2.gz LRKCUGTWAHLLKB-DEOSSOPVSA-N 2 1 374.532 4.061 20 0 FIADMP Cn1cnc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)ccc21 ZINC000539405775 1116332169 /nfs/dbraw/zinc/33/21/69/1116332169.db2.gz LRKCUGTWAHLLKB-DEOSSOPVSA-N 2 1 374.532 4.061 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc21 ZINC000539405775 1116332172 /nfs/dbraw/zinc/33/21/72/1116332172.db2.gz LRKCUGTWAHLLKB-DEOSSOPVSA-N 2 1 374.532 4.061 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc21 ZINC000539405775 1116332175 /nfs/dbraw/zinc/33/21/75/1116332175.db2.gz LRKCUGTWAHLLKB-DEOSSOPVSA-N 2 1 374.532 4.061 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000669851613 1117768617 /nfs/dbraw/zinc/76/86/17/1117768617.db2.gz IRPNGZADKQKLIQ-GGAORHGYSA-N 2 1 363.549 4.156 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000669851613 1117768625 /nfs/dbraw/zinc/76/86/25/1117768625.db2.gz IRPNGZADKQKLIQ-GGAORHGYSA-N 2 1 363.549 4.156 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000462797799 1117768720 /nfs/dbraw/zinc/76/87/20/1117768720.db2.gz GRXNTSIVVBFFKW-GOSISDBHSA-N 2 1 354.542 4.437 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CC2=Cc3ccccc3OC2)CC1)CC1CC1 ZINC000539958046 1117776139 /nfs/dbraw/zinc/77/61/39/1117776139.db2.gz CGHMZZQRBDZYJC-UHFFFAOYSA-N 2 1 354.538 4.296 20 0 FIADMP COc1cccc(CCC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000540043574 1117838237 /nfs/dbraw/zinc/83/82/37/1117838237.db2.gz DDENTKAXJGYNKF-UHFFFAOYSA-N 2 1 367.537 4.261 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC000462903494 1117849983 /nfs/dbraw/zinc/84/99/83/1117849983.db2.gz ALORXNWDSNNTTB-DEOSSOPVSA-N 2 1 364.533 4.201 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000540170950 1117912336 /nfs/dbraw/zinc/91/23/36/1117912336.db2.gz NGLJQSCSCOHKIM-XHSDSOJGSA-N 2 1 374.447 4.125 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1(C)C ZINC000463026488 1117921579 /nfs/dbraw/zinc/92/15/79/1117921579.db2.gz YTJRCGJXDCTHOA-NZSAHSFTSA-N 2 1 350.572 4.142 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1(C)C ZINC000463026488 1117921584 /nfs/dbraw/zinc/92/15/84/1117921584.db2.gz YTJRCGJXDCTHOA-NZSAHSFTSA-N 2 1 350.572 4.142 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1)CC(C)C ZINC000540197464 1117938271 /nfs/dbraw/zinc/93/82/71/1117938271.db2.gz QOVDNTYDIWQWJJ-UHFFFAOYSA-N 2 1 370.541 4.317 20 0 FIADMP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463068300 1117954503 /nfs/dbraw/zinc/95/45/03/1117954503.db2.gz RDGWOCIEMPGCKL-IBGZPJMESA-N 2 1 354.513 4.362 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076914 1117959891 /nfs/dbraw/zinc/95/98/91/1117959891.db2.gz HTIINUOXUYFVOT-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463076914 1117959893 /nfs/dbraw/zinc/95/98/93/1117959893.db2.gz HTIINUOXUYFVOT-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463078646 1117960799 /nfs/dbraw/zinc/96/07/99/1117960799.db2.gz YZLGYUHJDVVQHU-UHFFFAOYSA-N 2 1 356.485 4.021 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463106913 1117967461 /nfs/dbraw/zinc/96/74/61/1117967461.db2.gz BSMMNISVBZKMKQ-FQEVSTJZSA-N 2 1 366.549 4.313 20 0 FIADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000463126397 1117974929 /nfs/dbraw/zinc/97/49/29/1117974929.db2.gz ZABHIXHPKFHOGJ-UHFFFAOYSA-N 2 1 352.497 4.154 20 0 FIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000463120471 1117979025 /nfs/dbraw/zinc/97/90/25/1117979025.db2.gz VYRKYIMYTZSIKZ-ZTCOLXNVSA-N 2 1 365.565 4.240 20 0 FIADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463120799 1117979351 /nfs/dbraw/zinc/97/93/51/1117979351.db2.gz XZMQOIBASYDNIH-CTNGQTDRSA-N 2 1 368.521 4.107 20 0 FIADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463120799 1117979354 /nfs/dbraw/zinc/97/93/54/1117979354.db2.gz XZMQOIBASYDNIH-CTNGQTDRSA-N 2 1 368.521 4.107 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000463144967 1117982153 /nfs/dbraw/zinc/98/21/53/1117982153.db2.gz LMVLZUOFOYVBTG-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000463144967 1117982156 /nfs/dbraw/zinc/98/21/56/1117982156.db2.gz LMVLZUOFOYVBTG-QZTJIDSGSA-N 2 1 363.977 4.014 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000540321245 1117983028 /nfs/dbraw/zinc/98/30/28/1117983028.db2.gz RGALMZUNJHIULW-ACJLOTCBSA-N 2 1 362.315 4.331 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463135199 1117984872 /nfs/dbraw/zinc/98/48/72/1117984872.db2.gz VNXIZQGOMNUTGP-YMPZKCBVSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463135199 1117984875 /nfs/dbraw/zinc/98/48/75/1117984875.db2.gz VNXIZQGOMNUTGP-YMPZKCBVSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140048 1117986981 /nfs/dbraw/zinc/98/69/81/1117986981.db2.gz KACCDRZDIKBAQD-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140048 1117986985 /nfs/dbraw/zinc/98/69/85/1117986985.db2.gz KACCDRZDIKBAQD-RDPSFJRHSA-N 2 1 374.532 4.074 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)cc1 ZINC000463163087 1117990403 /nfs/dbraw/zinc/99/04/03/1117990403.db2.gz LSXQADWYSWAGRJ-UHFFFAOYSA-N 2 1 352.497 4.368 20 0 FIADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000540354097 1117998024 /nfs/dbraw/zinc/99/80/24/1117998024.db2.gz LETHXBGDORHPLX-GHTZIAJQSA-N 2 1 353.510 4.186 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188882 1118007375 /nfs/dbraw/zinc/00/73/75/1118007375.db2.gz FKRDNPSABDVSFQ-REWPJTCUSA-N 2 1 374.532 4.323 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188882 1118007379 /nfs/dbraw/zinc/00/73/79/1118007379.db2.gz FKRDNPSABDVSFQ-REWPJTCUSA-N 2 1 374.532 4.323 20 0 FIADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000463189270 1118017959 /nfs/dbraw/zinc/01/79/59/1118017959.db2.gz GQWCRMDZSKPPCA-QFIPXVFZSA-N 2 1 372.940 4.324 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000540415743 1118042883 /nfs/dbraw/zinc/04/28/83/1118042883.db2.gz FTXQIYCYCKAFAK-MEDUHNTESA-N 2 1 366.328 4.027 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000463240307 1118047918 /nfs/dbraw/zinc/04/79/18/1118047918.db2.gz NRSARSCCVCEUPV-QFIPXVFZSA-N 2 1 374.544 4.304 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCc3ccccc3F)CC2)cc1 ZINC000463248167 1118053278 /nfs/dbraw/zinc/05/32/78/1118053278.db2.gz MCQBUMFXHNTSNJ-UHFFFAOYSA-N 2 1 358.476 4.194 20 0 FIADMP CCO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251295 1118060422 /nfs/dbraw/zinc/06/04/22/1118060422.db2.gz CZEDDWIOJVOGTB-WWPVKYPJSA-N 2 1 352.522 4.407 20 0 FIADMP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251295 1118060428 /nfs/dbraw/zinc/06/04/28/1118060428.db2.gz CZEDDWIOJVOGTB-WWPVKYPJSA-N 2 1 352.522 4.407 20 0 FIADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCCC4CCOCC4)CC[C@@H]32)cc1 ZINC000463293165 1118077132 /nfs/dbraw/zinc/07/71/32/1118077132.db2.gz DVKSUPSKBMTOBP-PKTZIBPZSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCCC4CCOCC4)CC[C@@H]32)cc1 ZINC000463293165 1118077189 /nfs/dbraw/zinc/07/71/89/1118077189.db2.gz DVKSUPSKBMTOBP-PKTZIBPZSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCCC4CCOCC4)CC[C@@H]32)cc1 ZINC000463293165 1118077194 /nfs/dbraw/zinc/07/71/94/1118077194.db2.gz DVKSUPSKBMTOBP-PKTZIBPZSA-N 2 1 356.554 4.180 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)CC1 ZINC000540555550 1118127167 /nfs/dbraw/zinc/12/71/67/1118127167.db2.gz LDPCMRBSHZSZPK-UHFFFAOYSA-N 2 1 374.569 4.188 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1F ZINC000540989948 1118339956 /nfs/dbraw/zinc/33/99/56/1118339956.db2.gz ALMLWZRMPZHMAE-QFBILLFUSA-N 2 1 356.913 4.003 20 0 FIADMP CCCc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000540990147 1118341323 /nfs/dbraw/zinc/34/13/23/1118341323.db2.gz DOHYCVOUZAJYIY-YADARESESA-N 2 1 366.549 4.447 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992656 1118341990 /nfs/dbraw/zinc/34/19/90/1118341990.db2.gz YKFAZUAXIMTTOE-SVMVAKDDSA-N 2 1 365.521 4.206 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@H](c4ccccc4)[C@H]3C)CCCC2)CC1 ZINC000464087643 1118442186 /nfs/dbraw/zinc/44/21/86/1118442186.db2.gz BMFAGRVICYTAAK-BVYCBKJFSA-N 2 1 356.554 4.192 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000761450008 1118447035 /nfs/dbraw/zinc/44/70/35/1118447035.db2.gz JBKAHUCQPSDXTL-JTHBVZDNSA-N 2 1 356.554 4.420 20 0 FIADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc2cccnc12 ZINC000541537941 1118546276 /nfs/dbraw/zinc/54/62/76/1118546276.db2.gz WHVBHSABSOICLU-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000541537941 1118546278 /nfs/dbraw/zinc/54/62/78/1118546278.db2.gz WHVBHSABSOICLU-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000541537941 1118546280 /nfs/dbraw/zinc/54/62/80/1118546280.db2.gz WHVBHSABSOICLU-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000541738762 1118627436 /nfs/dbraw/zinc/62/74/36/1118627436.db2.gz OYIGZMXYUSVTNM-MBPVOVBZSA-N 2 1 369.578 4.445 20 0 FIADMP CSc1ccc(OCC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464846977 1118719994 /nfs/dbraw/zinc/71/99/94/1118719994.db2.gz KQOIMBOJSCMWCS-HXUWFJFHSA-N 2 1 370.562 4.241 20 0 FIADMP CSc1ccc(OCC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000464846977 1118719996 /nfs/dbraw/zinc/71/99/96/1118719996.db2.gz KQOIMBOJSCMWCS-HXUWFJFHSA-N 2 1 370.562 4.241 20 0 FIADMP CSc1ccc(OCC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000464846977 1118719998 /nfs/dbraw/zinc/71/99/98/1118719998.db2.gz KQOIMBOJSCMWCS-HXUWFJFHSA-N 2 1 370.562 4.241 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C3CC(c4ccccc4C)C3)CCCC2)CC1 ZINC000542178645 1118838025 /nfs/dbraw/zinc/83/80/25/1118838025.db2.gz DRTUIHVYRCRMQV-UHFFFAOYSA-N 2 1 356.554 4.254 20 0 FIADMP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492371745 1119080765 /nfs/dbraw/zinc/08/07/65/1119080765.db2.gz DQPRDTFOJCZCMD-UYAOXDASSA-N 2 1 356.485 4.095 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(F)c3)CC2)cs1 ZINC000174077109 1119091553 /nfs/dbraw/zinc/09/15/53/1119091553.db2.gz MWLSAAQJFKSPQL-HNNXBMFYSA-N 2 1 361.530 4.407 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000177489574 1119333680 /nfs/dbraw/zinc/33/36/80/1119333680.db2.gz PIDUPNLWALRHMM-HNNXBMFYSA-N 2 1 374.447 4.125 20 0 FIADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000311072871 1119356696 /nfs/dbraw/zinc/35/66/96/1119356696.db2.gz KLIAHLOXIYVSHG-LPHOPBHVSA-N 2 1 358.913 4.349 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000311523621 1119378324 /nfs/dbraw/zinc/37/83/24/1119378324.db2.gz PVANYEVAEPVTDF-DNVFCKCGSA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311633981 1119382759 /nfs/dbraw/zinc/38/27/59/1119382759.db2.gz JRNBNYBUULODQP-CNNODRBYSA-N 2 1 352.522 4.126 20 0 FIADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)c1cccc(OC)c1 ZINC000542464526 1119384536 /nfs/dbraw/zinc/38/45/36/1119384536.db2.gz ZOBGVRKOZSROQK-KRWDZBQOSA-N 2 1 350.466 4.167 20 0 FIADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000178439849 1119390902 /nfs/dbraw/zinc/39/09/02/1119390902.db2.gz ANSFIOFGRPHYPO-QGZVFWFLSA-N 2 1 354.542 4.344 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311854340 1119392097 /nfs/dbraw/zinc/39/20/97/1119392097.db2.gz TVASLKLSYJPDBQ-SIKLNZKXSA-N 2 1 352.522 4.474 20 0 FIADMP CC(C)Oc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311854340 1119392102 /nfs/dbraw/zinc/39/21/02/1119392102.db2.gz TVASLKLSYJPDBQ-SIKLNZKXSA-N 2 1 352.522 4.474 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311863741 1119392494 /nfs/dbraw/zinc/39/24/94/1119392494.db2.gz VOPDMBSJSLOOHB-ILWGZMRPSA-N 2 1 356.554 4.369 20 0 FIADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896954 1119507449 /nfs/dbraw/zinc/50/74/49/1119507449.db2.gz KLQWYWAEUYOEKC-AUSIDOKSSA-N 2 1 352.522 4.325 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000493895564 1119507591 /nfs/dbraw/zinc/50/75/91/1119507591.db2.gz YHSOUJPOOXFFFS-OFCAXSSNSA-N 2 1 358.551 4.497 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000493895564 1119507595 /nfs/dbraw/zinc/50/75/95/1119507595.db2.gz YHSOUJPOOXFFFS-OFCAXSSNSA-N 2 1 358.551 4.497 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000493895565 1119507861 /nfs/dbraw/zinc/50/78/61/1119507861.db2.gz YHSOUJPOOXFFFS-QAKNJHSXSA-N 2 1 358.551 4.497 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000493895565 1119507863 /nfs/dbraw/zinc/50/78/63/1119507863.db2.gz YHSOUJPOOXFFFS-QAKNJHSXSA-N 2 1 358.551 4.497 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000493937432 1119512533 /nfs/dbraw/zinc/51/25/33/1119512533.db2.gz QEEIWLXYVOVBMU-PGRDOPGGSA-N 2 1 350.506 4.195 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000182824533 1119560489 /nfs/dbraw/zinc/56/04/89/1119560489.db2.gz ZEXHAYQUWBAIFZ-GOEBONIOSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@H+]1C ZINC000182824533 1119560493 /nfs/dbraw/zinc/56/04/93/1119560493.db2.gz ZEXHAYQUWBAIFZ-GOEBONIOSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824533 1119560498 /nfs/dbraw/zinc/56/04/98/1119560498.db2.gz ZEXHAYQUWBAIFZ-GOEBONIOSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824533 1119560502 /nfs/dbraw/zinc/56/05/02/1119560502.db2.gz ZEXHAYQUWBAIFZ-GOEBONIOSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000467368337 1119946969 /nfs/dbraw/zinc/94/69/69/1119946969.db2.gz GNRZHZCZJQDGBY-ZCNNSNEGSA-N 2 1 354.542 4.281 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(C)c[nH+]3)CC1)CCS2 ZINC000191518358 1119981675 /nfs/dbraw/zinc/98/16/75/1119981675.db2.gz LIPCWPWYBWMJQK-IBGZPJMESA-N 2 1 369.534 4.194 20 0 FIADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920007 1120090178 /nfs/dbraw/zinc/09/01/78/1120090178.db2.gz YYIGKSUVJSPHGK-SFHVURJKSA-N 2 1 355.551 4.412 20 0 FIADMP c1nc(C2CCCC2)sc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920007 1120090184 /nfs/dbraw/zinc/09/01/84/1120090184.db2.gz YYIGKSUVJSPHGK-SFHVURJKSA-N 2 1 355.551 4.412 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3sccc3Cl)cc2)C[C@H](C)O1 ZINC000192994873 1120093866 /nfs/dbraw/zinc/09/38/66/1120093866.db2.gz QXIRDQYTPJOIAN-GASCZTMLSA-N 2 1 364.942 4.301 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000193297985 1120125770 /nfs/dbraw/zinc/12/57/70/1120125770.db2.gz MPTCGDYRKNHFTC-DENIHFKCSA-N 2 1 370.562 4.288 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000193297985 1120125772 /nfs/dbraw/zinc/12/57/72/1120125772.db2.gz MPTCGDYRKNHFTC-DENIHFKCSA-N 2 1 370.562 4.288 20 0 FIADMP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000193957246 1120219494 /nfs/dbraw/zinc/21/94/94/1120219494.db2.gz XPJZTXRZJXUSPX-OAQYLSRUSA-N 2 1 358.913 4.413 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169110 1120246779 /nfs/dbraw/zinc/24/67/79/1120246779.db2.gz AFRACIQKOKADJR-KNBMTAEXSA-N 2 1 350.934 4.270 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000194169110 1120246782 /nfs/dbraw/zinc/24/67/82/1120246782.db2.gz AFRACIQKOKADJR-KNBMTAEXSA-N 2 1 350.934 4.270 20 0 FIADMP Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)on1 ZINC000670114295 1120341978 /nfs/dbraw/zinc/34/19/78/1120341978.db2.gz GWGYEAAHJCLVAG-WQHGSSGSSA-N 2 1 359.901 4.340 20 0 FIADMP Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)on1 ZINC000670114295 1120341985 /nfs/dbraw/zinc/34/19/85/1120341985.db2.gz GWGYEAAHJCLVAG-WQHGSSGSSA-N 2 1 359.901 4.340 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000495002318 1120419686 /nfs/dbraw/zinc/41/96/86/1120419686.db2.gz XVBXEXAQWSTLBJ-YESZJQIVSA-N 2 1 354.498 4.130 20 0 FIADMP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670153972 1120709743 /nfs/dbraw/zinc/70/97/43/1120709743.db2.gz SFLCCHJPFFMXGP-LNLFQRSKSA-N 2 1 363.343 4.433 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495369273 1120753112 /nfs/dbraw/zinc/75/31/12/1120753112.db2.gz PQJGRPMITISMKM-AOIWGVFYSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369273 1120753117 /nfs/dbraw/zinc/75/31/17/1120753117.db2.gz PQJGRPMITISMKM-AOIWGVFYSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495369274 1120753291 /nfs/dbraw/zinc/75/32/91/1120753291.db2.gz PQJGRPMITISMKM-JENIJYKNSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495369274 1120753297 /nfs/dbraw/zinc/75/32/97/1120753297.db2.gz PQJGRPMITISMKM-JENIJYKNSA-N 2 1 356.485 4.396 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381318 1120768194 /nfs/dbraw/zinc/76/81/94/1120768194.db2.gz XZPRNXDFNDNJOK-WVBUVRCRSA-N 2 1 374.475 4.153 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381318 1120768199 /nfs/dbraw/zinc/76/81/99/1120768199.db2.gz XZPRNXDFNDNJOK-WVBUVRCRSA-N 2 1 374.475 4.153 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CCN1Cc1ccccc1 ZINC000495392368 1120770994 /nfs/dbraw/zinc/77/09/94/1120770994.db2.gz YIPIZRCFKPPTBL-WIYYLYMNSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000495392368 1120770999 /nfs/dbraw/zinc/77/09/99/1120770999.db2.gz YIPIZRCFKPPTBL-WIYYLYMNSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000495392368 1120771004 /nfs/dbraw/zinc/77/10/04/1120771004.db2.gz YIPIZRCFKPPTBL-WIYYLYMNSA-N 2 1 367.537 4.402 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000495415652 1120792380 /nfs/dbraw/zinc/79/23/80/1120792380.db2.gz SCQIBWVTUMQCPE-LEOXJPRUSA-N 2 1 374.544 4.488 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000495438854 1120824297 /nfs/dbraw/zinc/82/42/97/1120824297.db2.gz JDVARZFWOKBHOZ-ATZDWAIDSA-N 2 1 355.551 4.329 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1F ZINC000495543879 1120875948 /nfs/dbraw/zinc/87/59/48/1120875948.db2.gz BKEWPDIDDQOFEH-BBWFWOEESA-N 2 1 374.475 4.425 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000236808157 1120970008 /nfs/dbraw/zinc/97/00/08/1120970008.db2.gz OTOBEXODIIHCRA-NRFANRHFSA-N 2 1 368.521 4.096 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000236930927 1120971768 /nfs/dbraw/zinc/97/17/68/1120971768.db2.gz NPDJVTBTIAUEJG-NRFANRHFSA-N 2 1 368.521 4.096 20 0 FIADMP Cc1nc(COc2ccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc2)cs1 ZINC000237746061 1120983244 /nfs/dbraw/zinc/98/32/44/1120983244.db2.gz NYQLOWXBOQGEIF-UHFFFAOYSA-N 2 1 373.566 4.383 20 0 FIADMP Fc1cc(F)cc(Oc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2)c1 ZINC000237811430 1120984660 /nfs/dbraw/zinc/98/46/60/1120984660.db2.gz BQQMCRYERQIQCU-INIZCTEOSA-N 2 1 358.432 4.331 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000237884595 1120986085 /nfs/dbraw/zinc/98/60/85/1120986085.db2.gz NAVIHASRCBWKEZ-UHFFFAOYSA-N 2 1 350.506 4.290 20 0 FIADMP Clc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000762925920 1120998372 /nfs/dbraw/zinc/99/83/72/1120998372.db2.gz JBQWMTNQELEATH-UHFFFAOYSA-N 2 1 361.942 4.285 20 0 FIADMP Clc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000762925920 1120998374 /nfs/dbraw/zinc/99/83/74/1120998374.db2.gz JBQWMTNQELEATH-UHFFFAOYSA-N 2 1 361.942 4.285 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@@H](C)C1 ZINC000624307315 1121152729 /nfs/dbraw/zinc/15/27/29/1121152729.db2.gz GXOQQTMDQNXYKJ-QFBILLFUSA-N 2 1 372.475 4.018 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998021 1121331632 /nfs/dbraw/zinc/33/16/32/1121331632.db2.gz UKFHSTLNTUHOGH-QFBILLFUSA-N 2 1 360.448 4.288 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998021 1121331641 /nfs/dbraw/zinc/33/16/41/1121331641.db2.gz UKFHSTLNTUHOGH-QFBILLFUSA-N 2 1 360.448 4.288 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000126647384 1121447504 /nfs/dbraw/zinc/44/75/04/1121447504.db2.gz LLKOHNFVDWQUSS-FYYLOGMGSA-N 2 1 372.516 4.256 20 0 FIADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000126647384 1121447511 /nfs/dbraw/zinc/44/75/11/1121447511.db2.gz LLKOHNFVDWQUSS-FYYLOGMGSA-N 2 1 372.516 4.256 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(OC)c(OC)c1 ZINC000123929256 1121646205 /nfs/dbraw/zinc/64/62/05/1121646205.db2.gz JLHCKDRXYHQIGS-FQEVSTJZSA-N 2 1 356.510 4.396 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123945372 1121648188 /nfs/dbraw/zinc/64/81/88/1121648188.db2.gz USLHCEJUDKOFSP-GOSISDBHSA-N 2 1 362.521 4.483 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123945372 1121648192 /nfs/dbraw/zinc/64/81/92/1121648192.db2.gz USLHCEJUDKOFSP-GOSISDBHSA-N 3 1 362.521 4.483 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123945372 1121648199 /nfs/dbraw/zinc/64/81/99/1121648199.db2.gz USLHCEJUDKOFSP-GOSISDBHSA-N 3 1 362.521 4.483 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124517878 1121701362 /nfs/dbraw/zinc/70/13/62/1121701362.db2.gz SCQAMUOWASOBIL-JTQLQIEISA-N 2 1 354.338 4.469 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749992 1121709879 /nfs/dbraw/zinc/70/98/79/1121709879.db2.gz CXBNJNLGQMZSSE-TXPKVOOTSA-N 2 1 365.477 4.095 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749992 1121709887 /nfs/dbraw/zinc/70/98/87/1121709887.db2.gz CXBNJNLGQMZSSE-TXPKVOOTSA-N 2 1 365.477 4.095 20 0 FIADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001168593536 1121710531 /nfs/dbraw/zinc/71/05/31/1121710531.db2.gz LHHILKRBXDCPTO-FCHUYYIVSA-N 2 1 354.538 4.246 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC001168593536 1121710544 /nfs/dbraw/zinc/71/05/44/1121710544.db2.gz LHHILKRBXDCPTO-FCHUYYIVSA-N 2 1 354.538 4.246 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000063917715 1121727842 /nfs/dbraw/zinc/72/78/42/1121727842.db2.gz KJZUCRSCQBQQHS-OAQYLSRUSA-N 2 1 368.521 4.096 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000125129537 1121749567 /nfs/dbraw/zinc/74/95/67/1121749567.db2.gz DXJRMASIRKQMTE-ROUUACIJSA-N 2 1 366.505 4.334 20 0 FIADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000125212120 1121757725 /nfs/dbraw/zinc/75/77/25/1121757725.db2.gz BRVUIFFDYAWHNI-UHFFFAOYSA-N 2 1 367.537 4.194 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000125212120 1121757738 /nfs/dbraw/zinc/75/77/38/1121757738.db2.gz BRVUIFFDYAWHNI-UHFFFAOYSA-N 2 1 367.537 4.194 20 0 FIADMP CCCC[N@@H+](C)CC1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000066960580 1121762445 /nfs/dbraw/zinc/76/24/45/1121762445.db2.gz YZCHPXJBEMXDSY-OAHLLOKOSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000066960580 1121762454 /nfs/dbraw/zinc/76/24/54/1121762454.db2.gz YZCHPXJBEMXDSY-OAHLLOKOSA-N 2 1 362.543 4.303 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000066960580 1121762464 /nfs/dbraw/zinc/76/24/64/1121762464.db2.gz YZCHPXJBEMXDSY-OAHLLOKOSA-N 2 1 362.543 4.303 20 0 FIADMP COc1ccc(OC)c(C[N@H+](CCCCn2cc[nH+]c2C)C(C)(C)C)c1 ZINC000125433152 1121778738 /nfs/dbraw/zinc/77/87/38/1121778738.db2.gz NQEXLCBNEKRGCK-UHFFFAOYSA-N 2 1 359.514 4.290 20 0 FIADMP COc1ccc(OC)c(C[N@@H+](CCCCn2cc[nH+]c2C)C(C)(C)C)c1 ZINC000125433152 1121778750 /nfs/dbraw/zinc/77/87/50/1121778750.db2.gz NQEXLCBNEKRGCK-UHFFFAOYSA-N 2 1 359.514 4.290 20 0 FIADMP COC[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000125885793 1121861741 /nfs/dbraw/zinc/86/17/41/1121861741.db2.gz MYRHMZJWNRHVBO-QAPCUYQASA-N 2 1 358.448 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000125885793 1121861752 /nfs/dbraw/zinc/86/17/52/1121861752.db2.gz MYRHMZJWNRHVBO-QAPCUYQASA-N 2 1 358.448 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000125885793 1121861765 /nfs/dbraw/zinc/86/17/65/1121861765.db2.gz MYRHMZJWNRHVBO-QAPCUYQASA-N 2 1 358.448 4.103 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000917008857 1121995077 /nfs/dbraw/zinc/99/50/77/1121995077.db2.gz SXGUFALSCXEEIA-OPAMFIHVSA-N 2 1 374.475 4.162 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000126804309 1122000972 /nfs/dbraw/zinc/00/09/72/1122000972.db2.gz HPYARQTYTXHCLM-IIBYNOLFSA-N 2 1 356.535 4.246 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000126804309 1122000980 /nfs/dbraw/zinc/00/09/80/1122000980.db2.gz HPYARQTYTXHCLM-IIBYNOLFSA-N 2 1 356.535 4.246 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000765812765 1122103938 /nfs/dbraw/zinc/10/39/38/1122103938.db2.gz YWNHZXRSKKMZJN-YCRPNKLZSA-N 2 1 369.896 4.392 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000066960582 1122115985 /nfs/dbraw/zinc/11/59/85/1122115985.db2.gz SDNCKNQZXBLIDG-LJQANCHMSA-N 2 1 359.558 4.074 20 0 FIADMP COc1ccc([C@H]2C[C@@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168623449 1122179347 /nfs/dbraw/zinc/17/93/47/1122179347.db2.gz IUXGZRCWBYXNPQ-XHRGMSINSA-N 2 1 372.553 4.430 20 0 FIADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(-c2ccccc2)c1 ZINC000128242656 1122208777 /nfs/dbraw/zinc/20/87/77/1122208777.db2.gz YTYWJMIRTFZWOB-FQEVSTJZSA-N 2 1 351.538 4.032 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ccc(F)cn3)C(C)C)CC2)oc1C ZINC000497842157 1122434194 /nfs/dbraw/zinc/43/41/94/1122434194.db2.gz HJSLTTBATWHBMX-OAQYLSRUSA-N 2 1 374.504 4.024 20 0 FIADMP c1cn2c(C[NH2+]C3CC[NH+](CC4CC4)CC3)c(-c3ccccc3)nc2s1 ZINC000917998651 1122519009 /nfs/dbraw/zinc/51/90/09/1122519009.db2.gz NNQZVGSCMMJCKW-UHFFFAOYSA-N 2 1 366.534 4.027 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556057821 1122627319 /nfs/dbraw/zinc/62/73/19/1122627319.db2.gz WSNBRMQALWYYEJ-IEBWSBKVSA-N 2 1 372.896 4.036 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556057821 1122627321 /nfs/dbraw/zinc/62/73/21/1122627321.db2.gz WSNBRMQALWYYEJ-IEBWSBKVSA-N 2 1 372.896 4.036 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000556061251 1122632980 /nfs/dbraw/zinc/63/29/80/1122632980.db2.gz UCXPRJZWZGFYOA-DHIUTWEWSA-N 2 1 364.533 4.160 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000556061251 1122632981 /nfs/dbraw/zinc/63/29/81/1122632981.db2.gz UCXPRJZWZGFYOA-DHIUTWEWSA-N 2 1 364.533 4.160 20 0 FIADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763430829 1122744956 /nfs/dbraw/zinc/74/49/56/1122744956.db2.gz FMMUPHAUSXCQPG-PGRDOPGGSA-N 2 1 362.533 4.144 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc(Br)cc2Cl)CC[N@H+]1C ZINC000556228696 1122745429 /nfs/dbraw/zinc/74/54/29/1122745429.db2.gz DJEOUPBNTXESJZ-GXTWGEPZSA-N 2 1 373.766 4.452 20 0 FIADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556228613 1122745490 /nfs/dbraw/zinc/74/54/90/1122745490.db2.gz ASYFKCKQUKBQFH-FCEUIQTBSA-N 2 1 356.554 4.084 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556238445 1122755507 /nfs/dbraw/zinc/75/55/07/1122755507.db2.gz KLZFARYDUYCHNY-FUHWJXTLSA-N 2 1 364.411 4.352 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556238445 1122755509 /nfs/dbraw/zinc/75/55/09/1122755509.db2.gz KLZFARYDUYCHNY-FUHWJXTLSA-N 2 1 364.411 4.352 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436496 1122795773 /nfs/dbraw/zinc/79/57/73/1122795773.db2.gz VQEBVLVFWZGUQG-UZLBHIALSA-N 2 1 361.530 4.481 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cn1 ZINC000498436496 1122795777 /nfs/dbraw/zinc/79/57/77/1122795777.db2.gz VQEBVLVFWZGUQG-UZLBHIALSA-N 2 1 361.530 4.481 20 0 FIADMP CC(C)(C)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cn1 ZINC000556594741 1122990410 /nfs/dbraw/zinc/99/04/10/1122990410.db2.gz HHOHIPBQXACPQM-UHFFFAOYSA-N 2 1 366.553 4.440 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1OC ZINC000514953091 1123151869 /nfs/dbraw/zinc/15/18/69/1123151869.db2.gz AQROWPSJBNPKQG-WOJBJXKFSA-N 2 1 354.494 4.019 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1OC ZINC000514953091 1123151874 /nfs/dbraw/zinc/15/18/74/1123151874.db2.gz AQROWPSJBNPKQG-WOJBJXKFSA-N 2 1 354.494 4.019 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1OC ZINC000514953089 1123152253 /nfs/dbraw/zinc/15/22/53/1123152253.db2.gz AQROWPSJBNPKQG-UXHICEINSA-N 2 1 354.494 4.019 20 0 FIADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1OC ZINC000514953089 1123152256 /nfs/dbraw/zinc/15/22/56/1123152256.db2.gz AQROWPSJBNPKQG-UXHICEINSA-N 2 1 354.494 4.019 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556889553 1123176364 /nfs/dbraw/zinc/17/63/64/1123176364.db2.gz JHGPPIBXELTJMA-QRFRQXIXSA-N 2 1 374.569 4.186 20 0 FIADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000556922828 1123232021 /nfs/dbraw/zinc/23/20/21/1123232021.db2.gz NNIIORISIGAZAU-LJQANCHMSA-N 2 1 371.352 4.414 20 0 FIADMP Cc1cccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499140339 1123281162 /nfs/dbraw/zinc/28/11/62/1123281162.db2.gz VJDVBKHZMUUVTQ-KOUNCHBCSA-N 2 1 350.506 4.159 20 0 FIADMP Cc1ccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499151776 1123294639 /nfs/dbraw/zinc/29/46/39/1123294639.db2.gz ZBMILAWXCJPVER-DKUWSORSSA-N 2 1 350.506 4.159 20 0 FIADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499152532 1123294906 /nfs/dbraw/zinc/29/49/06/1123294906.db2.gz OWMDJYOIAWOYHL-QOXZHXANSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499152532 1123294909 /nfs/dbraw/zinc/29/49/09/1123294909.db2.gz OWMDJYOIAWOYHL-QOXZHXANSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152532 1123294912 /nfs/dbraw/zinc/29/49/12/1123294912.db2.gz OWMDJYOIAWOYHL-QOXZHXANSA-N 2 1 355.570 4.035 20 0 FIADMP C[NH+](C)CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217778 1123333660 /nfs/dbraw/zinc/33/36/60/1123333660.db2.gz WONJHVRJFMLZTB-CIAFKFPVSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217778 1123333666 /nfs/dbraw/zinc/33/36/66/1123333666.db2.gz WONJHVRJFMLZTB-CIAFKFPVSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217778 1123333671 /nfs/dbraw/zinc/33/36/71/1123333671.db2.gz WONJHVRJFMLZTB-CIAFKFPVSA-N 3 1 357.586 4.138 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132748965 1123355606 /nfs/dbraw/zinc/35/56/06/1123355606.db2.gz NEVGZHCPFFVTPF-SFHVURJKSA-N 2 1 355.448 4.332 20 0 FIADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000237168878 1123599880 /nfs/dbraw/zinc/59/98/80/1123599880.db2.gz ZGWTXOBOVSTRPO-UHFFFAOYSA-N 2 1 365.340 4.361 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000237186465 1123601813 /nfs/dbraw/zinc/60/18/13/1123601813.db2.gz AQRMMSKXIYHYFW-VQTJNVASSA-N 2 1 373.928 4.276 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237178709 1123601852 /nfs/dbraw/zinc/60/18/52/1123601852.db2.gz WOZNEHAADGBCBC-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000237178709 1123601854 /nfs/dbraw/zinc/60/18/54/1123601854.db2.gz WOZNEHAADGBCBC-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP CC(C)N(C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(C)C ZINC000615316370 1123989199 /nfs/dbraw/zinc/98/91/99/1123989199.db2.gz RQGABZBZJNXPRF-WOJBJXKFSA-N 2 1 373.585 4.185 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000245418580 1124026916 /nfs/dbraw/zinc/02/69/16/1124026916.db2.gz AXIZPLLVOSFBPW-QZTJIDSGSA-N 2 1 370.562 4.480 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000245418580 1124026924 /nfs/dbraw/zinc/02/69/24/1124026924.db2.gz AXIZPLLVOSFBPW-QZTJIDSGSA-N 2 1 370.562 4.480 20 0 FIADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522119 1124157934 /nfs/dbraw/zinc/15/79/34/1124157934.db2.gz DFIPZXSJHLYMND-AWEZNQCLSA-N 2 1 350.457 4.156 20 0 FIADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245655393 1124170541 /nfs/dbraw/zinc/17/05/41/1124170541.db2.gz DIPBLBRGIQDEHT-ZQGJOIPISA-N 2 1 356.554 4.223 20 0 FIADMP COc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245696490 1124205187 /nfs/dbraw/zinc/20/51/87/1124205187.db2.gz LCEOMNXUZIISCA-KOUNCHBCSA-N 2 1 350.506 4.023 20 0 FIADMP C[NH+](C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765562 1124244636 /nfs/dbraw/zinc/24/46/36/1124244636.db2.gz WHPKHKIYVVWLNO-KIHHCIJBSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765562 1124244642 /nfs/dbraw/zinc/24/46/42/1124244642.db2.gz WHPKHKIYVVWLNO-KIHHCIJBSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765562 1124244648 /nfs/dbraw/zinc/24/46/48/1124244648.db2.gz WHPKHKIYVVWLNO-KIHHCIJBSA-N 2 1 363.549 4.075 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000245925767 1124285545 /nfs/dbraw/zinc/28/55/45/1124285545.db2.gz SLAXXOGLLONPIA-JWOSDPRPSA-N 2 1 351.494 4.179 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1nccn1C ZINC000246062175 1124333074 /nfs/dbraw/zinc/33/30/74/1124333074.db2.gz RKYPKVOLXUAFCR-OPYAIIAOSA-N 2 1 354.542 4.139 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000518575426 1124369763 /nfs/dbraw/zinc/36/97/63/1124369763.db2.gz WCZLWLYQOHCVPH-PKTZIBPZSA-N 2 1 352.522 4.061 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000518575426 1124369769 /nfs/dbraw/zinc/36/97/69/1124369769.db2.gz WCZLWLYQOHCVPH-PKTZIBPZSA-N 2 1 352.522 4.061 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000542836853 1124429051 /nfs/dbraw/zinc/42/90/51/1124429051.db2.gz XJCCTWQTJNXEQZ-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000542836853 1124429055 /nfs/dbraw/zinc/42/90/55/1124429055.db2.gz XJCCTWQTJNXEQZ-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP CSC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542848862 1124449976 /nfs/dbraw/zinc/44/99/76/1124449976.db2.gz HWWRBNAFAIEQAQ-KRWDZBQOSA-N 2 1 358.473 4.326 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000246927895 1124574251 /nfs/dbraw/zinc/57/42/51/1124574251.db2.gz GYHYKHRJQRIEBO-YOEHRIQHSA-N 2 1 359.514 4.258 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000246927881 1124574443 /nfs/dbraw/zinc/57/44/43/1124574443.db2.gz GYHYKHRJQRIEBO-PBHICJAKSA-N 2 1 359.514 4.258 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)ccn2)cc1 ZINC000246924706 1124574942 /nfs/dbraw/zinc/57/49/42/1124574942.db2.gz GXEXZRLHHNJPSA-LLGFUMIMSA-N 2 1 369.509 4.091 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)ccn2)cc1 ZINC000246924706 1124574947 /nfs/dbraw/zinc/57/49/47/1124574947.db2.gz GXEXZRLHHNJPSA-LLGFUMIMSA-N 2 1 369.509 4.091 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)CCO1 ZINC000247080263 1124589082 /nfs/dbraw/zinc/58/90/82/1124589082.db2.gz OUVCWFMRULOZHJ-UWJYYQICSA-N 2 1 368.546 4.234 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)CCO1 ZINC000247080263 1124589086 /nfs/dbraw/zinc/58/90/86/1124589086.db2.gz OUVCWFMRULOZHJ-UWJYYQICSA-N 2 1 368.546 4.234 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)s1 ZINC000247103695 1124590314 /nfs/dbraw/zinc/59/03/14/1124590314.db2.gz QCJWAKZEUMPQDT-HUUCEWRRSA-N 2 1 364.942 4.473 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)[C@@H](C)C1 ZINC000247210205 1124599066 /nfs/dbraw/zinc/59/90/66/1124599066.db2.gz WWLOOGLMVXMHPQ-CVDCTZTESA-N 2 1 352.522 4.223 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248455240 1124773078 /nfs/dbraw/zinc/77/30/78/1124773078.db2.gz RJMUXLXBZKWONB-VXKWHMMOSA-N 2 1 356.485 4.023 20 0 FIADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001168683861 1124800954 /nfs/dbraw/zinc/80/09/54/1124800954.db2.gz APMNAHDMRXGOHS-LUBSMZHTSA-N 2 1 366.936 4.307 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2ccccc2)o1 ZINC000090522822 1124999713 /nfs/dbraw/zinc/99/97/13/1124999713.db2.gz MAUNSHVWGWNWHQ-WMQCIHAUSA-N 2 1 368.521 4.365 20 0 FIADMP Clc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001137822446 1125116036 /nfs/dbraw/zinc/11/60/36/1125116036.db2.gz AGJBDVSKDCCOCQ-UHFFFAOYSA-N 2 1 361.942 4.285 20 0 FIADMP Clc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001137822446 1125116041 /nfs/dbraw/zinc/11/60/41/1125116041.db2.gz AGJBDVSKDCCOCQ-UHFFFAOYSA-N 2 1 361.942 4.285 20 0 FIADMP OCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000672617564 1125203674 /nfs/dbraw/zinc/20/36/74/1125203674.db2.gz CASHCGXHORVRMS-FQEVSTJZSA-N 2 1 350.934 4.150 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353999 1125229462 /nfs/dbraw/zinc/22/94/62/1125229462.db2.gz XSPFLSJGHYMVPU-WIYYLYMNSA-N 2 1 372.582 4.160 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353999 1125229466 /nfs/dbraw/zinc/22/94/66/1125229466.db2.gz XSPFLSJGHYMVPU-WIYYLYMNSA-N 2 1 372.582 4.160 20 0 FIADMP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000092739417 1125240411 /nfs/dbraw/zinc/24/04/11/1125240411.db2.gz YCHFQNXGYDPEEW-BBWFWOEESA-N 2 1 367.603 4.049 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Oc1cccnc1 ZINC000093597789 1125452526 /nfs/dbraw/zinc/45/25/26/1125452526.db2.gz AZWBNOSLHDCZJN-HXUWFJFHSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Oc1cccnc1 ZINC000093597789 1125452532 /nfs/dbraw/zinc/45/25/32/1125452532.db2.gz AZWBNOSLHDCZJN-HXUWFJFHSA-N 2 1 351.494 4.100 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597712 1125452662 /nfs/dbraw/zinc/45/26/62/1125452662.db2.gz GMSRMPVBPVOLGV-HXUWFJFHSA-N 2 1 350.506 4.280 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c2C1 ZINC000066514727 568064501 /nfs/dbraw/zinc/06/45/01/568064501.db2.gz SZJBUHKOLJRQRB-UHFFFAOYSA-N 2 1 363.505 4.260 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c2C1 ZINC000066514727 568064502 /nfs/dbraw/zinc/06/45/02/568064502.db2.gz SZJBUHKOLJRQRB-UHFFFAOYSA-N 2 1 363.505 4.260 20 0 FIADMP c1ccc(C[NH+]2CCC([C@H]3CCCCC[N@H+]3Cc3cnccn3)CC2)cc1 ZINC000563117493 568220503 /nfs/dbraw/zinc/22/05/03/568220503.db2.gz YQSREXDQUOIXJO-HSZRJFAPSA-N 2 1 364.537 4.133 20 0 FIADMP CC(C)(C)[N@@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000604756798 568365058 /nfs/dbraw/zinc/36/50/58/568365058.db2.gz ATBPLAOZHMQDEE-UHFFFAOYSA-N 2 1 362.315 4.308 20 0 FIADMP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000604756798 568365059 /nfs/dbraw/zinc/36/50/59/568365059.db2.gz ATBPLAOZHMQDEE-UHFFFAOYSA-N 2 1 362.315 4.308 20 0 FIADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccc(OC(F)(F)F)c2n1 ZINC000604881743 568383801 /nfs/dbraw/zinc/38/38/01/568383801.db2.gz VKHDMXBMRXZIHQ-KGLIPLIRSA-N 2 1 365.399 4.481 20 0 FIADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c12 ZINC001165049698 721971355 /nfs/dbraw/zinc/97/13/55/721971355.db2.gz VBZSNHQLFHRQBY-LJQANCHMSA-N 2 1 367.541 4.391 20 0 FIADMP CC(=O)Nc1ccccc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093844590 1125533707 /nfs/dbraw/zinc/53/37/07/1125533707.db2.gz HTAIBSPYJDSYLC-GOSISDBHSA-N 2 1 357.542 4.122 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000619761475 1125685096 /nfs/dbraw/zinc/68/50/96/1125685096.db2.gz NRSSUUIJKPXNHA-UXHICEINSA-N 2 1 354.469 4.121 20 0 FIADMP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000619761475 1125685097 /nfs/dbraw/zinc/68/50/97/1125685097.db2.gz NRSSUUIJKPXNHA-UXHICEINSA-N 2 1 354.469 4.121 20 0 FIADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000183165789 1125767470 /nfs/dbraw/zinc/76/74/70/1125767470.db2.gz GHZVLOPIECHRPZ-SFHVURJKSA-N 3 1 361.574 4.060 20 0 FIADMP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000643546911 1079671676 /nfs/dbraw/zinc/67/16/76/1079671676.db2.gz WTEUMJHQEUMOAH-MJGOQNOKSA-N 2 1 352.526 4.123 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000183183883 1125773003 /nfs/dbraw/zinc/77/30/03/1125773003.db2.gz XRRHNJVJAGZDGM-CMKODMSKSA-N 2 1 369.553 4.117 20 0 FIADMP CC[N@@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC001167063835 1079897654 /nfs/dbraw/zinc/89/76/54/1079897654.db2.gz VBPGXGIKWPGCJQ-ISKFKSNPSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC001167063835 1079897664 /nfs/dbraw/zinc/89/76/64/1079897664.db2.gz VBPGXGIKWPGCJQ-ISKFKSNPSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC001167063835 1079897670 /nfs/dbraw/zinc/89/76/70/1079897670.db2.gz VBPGXGIKWPGCJQ-ISKFKSNPSA-N 2 1 366.549 4.261 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001625795725 1079911474 /nfs/dbraw/zinc/91/14/74/1079911474.db2.gz BBEBEFSKODCHGY-WOJBJXKFSA-N 2 1 373.585 4.016 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000065981986 1079974586 /nfs/dbraw/zinc/97/45/86/1079974586.db2.gz YZYHVEWNLRZKOY-UHFFFAOYSA-N 2 1 356.514 4.112 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000510255740 1080922503 /nfs/dbraw/zinc/92/25/03/1080922503.db2.gz BCONBXRIFIDOSY-UHFFFAOYSA-N 2 1 355.526 4.103 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000510255740 1080922506 /nfs/dbraw/zinc/92/25/06/1080922506.db2.gz BCONBXRIFIDOSY-UHFFFAOYSA-N 2 1 355.526 4.103 20 0 FIADMP COCCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000547831420 1080945758 /nfs/dbraw/zinc/94/57/58/1080945758.db2.gz KDTAILFZXDEQTB-UNMCSNQZSA-N 2 1 358.570 4.474 20 0 FIADMP CC(C)Oc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655696356 1081122699 /nfs/dbraw/zinc/12/26/99/1081122699.db2.gz GCBSVWHTDPHOGB-WMZHIEFXSA-N 2 1 374.569 4.028 20 0 FIADMP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655698142 1081123759 /nfs/dbraw/zinc/12/37/59/1081123759.db2.gz XOPIQRAGQSPEQF-OAQYLSRUSA-N 2 1 352.526 4.272 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655698142 1081123761 /nfs/dbraw/zinc/12/37/61/1081123761.db2.gz XOPIQRAGQSPEQF-OAQYLSRUSA-N 2 1 352.526 4.272 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655745312 1081165242 /nfs/dbraw/zinc/16/52/42/1081165242.db2.gz LOVPWDGVOWJESO-AUSIDOKSSA-N 2 1 371.569 4.116 20 0 FIADMP Cc1cccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000655754127 1081171740 /nfs/dbraw/zinc/17/17/40/1081171740.db2.gz MCIQFJLSLRORCM-HSZRJFAPSA-N 2 1 350.506 4.005 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H](C2CC2)[C@H]2CCCCO2)C3)cc1 ZINC000655788839 1081201537 /nfs/dbraw/zinc/20/15/37/1081201537.db2.gz PYZDMZDNWMKKNY-PFDCGNQRSA-N 2 1 354.538 4.119 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001648814396 1081218856 /nfs/dbraw/zinc/21/88/56/1081218856.db2.gz KZOVUGQOCKETBS-HXUWFJFHSA-N 2 1 357.586 4.130 20 0 FIADMP Cc1cccc(OC[C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC001648891704 1081354899 /nfs/dbraw/zinc/35/48/99/1081354899.db2.gz PQGNTXWJYCIMTO-IBGZPJMESA-N 2 1 370.512 4.198 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1)C(C)C ZINC000275682002 1081435218 /nfs/dbraw/zinc/43/52/18/1081435218.db2.gz QERGIUABKGNXSI-UHFFFAOYSA-N 2 1 367.537 4.273 20 0 FIADMP CCCN(CCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001167333767 1081456710 /nfs/dbraw/zinc/45/67/10/1081456710.db2.gz ZNIFFRJYZLRHKT-QHCPKHFHSA-N 2 1 357.586 4.239 20 0 FIADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5cccnc54)C[C@H]3C2)cc1 ZINC000312614215 1081459452 /nfs/dbraw/zinc/45/94/52/1081459452.db2.gz GEBXRVCSAWITEM-FYYLOGMGSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)cc1 ZINC000312614215 1081459454 /nfs/dbraw/zinc/45/94/54/1081459454.db2.gz GEBXRVCSAWITEM-FYYLOGMGSA-N 2 1 357.501 4.189 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)cc1 ZINC000312614215 1081459456 /nfs/dbraw/zinc/45/94/56/1081459456.db2.gz GEBXRVCSAWITEM-FYYLOGMGSA-N 2 1 357.501 4.189 20 0 FIADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311136 1081823841 /nfs/dbraw/zinc/82/38/41/1081823841.db2.gz YLRLNFFVWILPAK-VSKRKVRLSA-N 2 1 356.554 4.224 20 0 FIADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311136 1081823852 /nfs/dbraw/zinc/82/38/52/1081823852.db2.gz YLRLNFFVWILPAK-VSKRKVRLSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353576 1081878475 /nfs/dbraw/zinc/87/84/75/1081878475.db2.gz KIBRCJUFMSCEBM-LAUBAEHRSA-N 2 1 353.466 4.158 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353576 1081878485 /nfs/dbraw/zinc/87/84/85/1081878485.db2.gz KIBRCJUFMSCEBM-LAUBAEHRSA-N 2 1 353.466 4.158 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312930603 1082047522 /nfs/dbraw/zinc/04/75/22/1082047522.db2.gz DYEVDFIELPYJCI-HBFSDRIKSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312930603 1082047527 /nfs/dbraw/zinc/04/75/27/1082047527.db2.gz DYEVDFIELPYJCI-HBFSDRIKSA-N 2 1 368.521 4.265 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312974728 1082109262 /nfs/dbraw/zinc/10/92/62/1082109262.db2.gz KSVRTPXZODJCHA-SPEDKVCISA-N 2 1 365.521 4.206 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000580890670 1082207802 /nfs/dbraw/zinc/20/78/02/1082207802.db2.gz OWAHVXDELALJSZ-AVRDEDQJSA-N 2 1 365.521 4.480 20 0 FIADMP COCCC[NH+]1CCC([NH2+]Cc2sc3c(cccc3Cl)c2C)CC1 ZINC000580999918 1082273546 /nfs/dbraw/zinc/27/35/46/1082273546.db2.gz HJDIEJZJVHUOHR-UHFFFAOYSA-N 2 1 366.958 4.454 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)c(F)cn1 ZINC000558241367 1082390402 /nfs/dbraw/zinc/39/04/02/1082390402.db2.gz NGHVENHVHRILSP-CKFHNAJUSA-N 2 1 363.502 4.025 20 0 FIADMP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C(F)(F)F)C1 ZINC000656472381 1082455209 /nfs/dbraw/zinc/45/52/09/1082455209.db2.gz DRLJOPOHKOBQHX-PJXYFTJBSA-N 2 1 358.370 4.112 20 0 FIADMP CN(c1ccccc1C[N@@H+](C)CCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000510435189 1082692416 /nfs/dbraw/zinc/69/24/16/1082692416.db2.gz JIMXUSJJLLDYGY-UHFFFAOYSA-N 2 1 369.528 4.031 20 0 FIADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666476 1082783413 /nfs/dbraw/zinc/78/34/13/1082783413.db2.gz GCDPKCJGKDREOX-UZLBHIALSA-N 2 1 353.510 4.009 20 0 FIADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666476 1082783417 /nfs/dbraw/zinc/78/34/17/1082783417.db2.gz GCDPKCJGKDREOX-UZLBHIALSA-N 2 1 353.510 4.009 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642085 1082807682 /nfs/dbraw/zinc/80/76/82/1082807682.db2.gz URCXNLNLSTVUEP-YLJYHZDGSA-N 2 1 367.493 4.009 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642085 1082807690 /nfs/dbraw/zinc/80/76/90/1082807690.db2.gz URCXNLNLSTVUEP-YLJYHZDGSA-N 2 1 367.493 4.009 20 0 FIADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000684394901 1082828215 /nfs/dbraw/zinc/82/82/15/1082828215.db2.gz OAHLTNVATQNGQA-KMDXXIMOSA-N 2 1 363.549 4.213 20 0 FIADMP C[C@H](c1cccc(O)c1)[NH+](C)C/C=C/C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000247411169 1082993526 /nfs/dbraw/zinc/99/35/26/1082993526.db2.gz CIQQRCAGPRWCLO-PJHKVULZSA-N 2 1 354.494 4.340 20 0 FIADMP C[NH+](C)CCC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000084677167 1083033472 /nfs/dbraw/zinc/03/34/72/1083033472.db2.gz UDIYLJYNQRDVNC-UHFFFAOYSA-N 2 1 357.567 4.092 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CCSCc3ccccc3)C2)c1 ZINC000430772359 1083164886 /nfs/dbraw/zinc/16/48/86/1083164886.db2.gz LDWMDWFFXKPXGO-LJQANCHMSA-N 2 1 360.592 4.483 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CCSCc3ccccc3)C2)c1 ZINC000430772359 1083164892 /nfs/dbraw/zinc/16/48/92/1083164892.db2.gz LDWMDWFFXKPXGO-LJQANCHMSA-N 2 1 360.592 4.483 20 0 FIADMP COC(=O)c1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)oc1C ZINC000431093257 1083334094 /nfs/dbraw/zinc/33/40/94/1083334094.db2.gz IWSVGCGHGVGIAT-MRXNPFEDSA-N 2 1 370.493 4.211 20 0 FIADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317935 1083404590 /nfs/dbraw/zinc/40/45/90/1083404590.db2.gz NZKLWAFMQJTBKB-PZJWPPBQSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317935 1083404606 /nfs/dbraw/zinc/40/46/06/1083404606.db2.gz NZKLWAFMQJTBKB-PZJWPPBQSA-N 2 1 374.532 4.287 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cn2ccccc2n1 ZINC000658317935 1083404608 /nfs/dbraw/zinc/40/46/08/1083404608.db2.gz NZKLWAFMQJTBKB-PZJWPPBQSA-N 2 1 374.532 4.287 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658320217 1083406499 /nfs/dbraw/zinc/40/64/99/1083406499.db2.gz RUZDZRMPUAYGLH-UGKGYDQZSA-N 2 1 366.553 4.417 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320349 1083407970 /nfs/dbraw/zinc/40/79/70/1083407970.db2.gz SPAGBBHRCUASOG-AUSIDOKSSA-N 2 1 364.533 4.132 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000510957410 1083535935 /nfs/dbraw/zinc/53/59/35/1083535935.db2.gz GHVKUQNJIBVSPC-FQEVSTJZSA-N 2 1 354.885 4.204 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000510958066 1083537921 /nfs/dbraw/zinc/53/79/21/1083537921.db2.gz KKJOOYWTWJZAPG-NQERJWCQSA-N 2 1 360.517 4.454 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000510979879 1083555594 /nfs/dbraw/zinc/55/55/94/1083555594.db2.gz FSHYRVLFJBIYCQ-XFYJMZHFSA-N 2 1 364.961 4.313 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000510980635 1083556874 /nfs/dbraw/zinc/55/68/74/1083556874.db2.gz YMVBCEVJQZTXKJ-BPXKWBHBSA-N 2 1 368.496 4.322 20 0 FIADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nc4ccccc4o2)CC3)cc1 ZINC000535680609 1083565282 /nfs/dbraw/zinc/56/52/82/1083565282.db2.gz ONJUJSWWQUJFIE-UHFFFAOYSA-N 2 1 361.489 4.316 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cnc5ccccc5n4)[C@H]3C2)cc1 ZINC000628237569 1083598161 /nfs/dbraw/zinc/59/81/61/1083598161.db2.gz RJCUKLFUVOMPNG-BVSLBCMMSA-N 2 1 372.516 4.020 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cnc5ccccc5n4)[C@H]3C2)cc1 ZINC000628237569 1083598173 /nfs/dbraw/zinc/59/81/73/1083598173.db2.gz RJCUKLFUVOMPNG-BVSLBCMMSA-N 2 1 372.516 4.020 20 0 FIADMP CCOc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1OC(F)F ZINC000535811426 1083681364 /nfs/dbraw/zinc/68/13/64/1083681364.db2.gz ZZJGDDZGYFJKLP-UHFFFAOYSA-N 2 1 370.484 4.239 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000535806063 1083692202 /nfs/dbraw/zinc/69/22/02/1083692202.db2.gz CFXDUBRQECAMSL-CTNGQTDRSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806063 1083692210 /nfs/dbraw/zinc/69/22/10/1083692210.db2.gz CFXDUBRQECAMSL-CTNGQTDRSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806063 1083692214 /nfs/dbraw/zinc/69/22/14/1083692214.db2.gz CFXDUBRQECAMSL-CTNGQTDRSA-N 2 1 351.494 4.098 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2F)s1 ZINC000535809889 1083697585 /nfs/dbraw/zinc/69/75/85/1083697585.db2.gz OCLLZWBGWZWIFE-YSGRDPCXSA-N 2 1 374.525 4.238 20 0 FIADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001167499188 1084015299 /nfs/dbraw/zinc/01/52/99/1084015299.db2.gz DFZSTYBGWNILCI-SFTDATJTSA-N 2 1 353.485 4.315 20 0 FIADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001167499187 1084016504 /nfs/dbraw/zinc/01/65/04/1084016504.db2.gz DFZSTYBGWNILCI-RTWAWAEBSA-N 2 1 353.485 4.315 20 0 FIADMP c1c2ccncc2sc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657308772 1084391134 /nfs/dbraw/zinc/39/11/34/1084391134.db2.gz BQXCAKOJQIVLOI-UHFFFAOYSA-N 2 1 351.519 4.093 20 0 FIADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657312351 1084450599 /nfs/dbraw/zinc/45/05/99/1084450599.db2.gz GXMZSRFSWCDTGV-KDURUIRLSA-N 2 1 354.542 4.061 20 0 FIADMP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657312351 1084450602 /nfs/dbraw/zinc/45/06/02/1084450602.db2.gz GXMZSRFSWCDTGV-KDURUIRLSA-N 2 1 354.542 4.061 20 0 FIADMP COc1ccc(C[NH+](C)C)cc1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582029663 1084483849 /nfs/dbraw/zinc/48/38/49/1084483849.db2.gz GDWWGUANAKGSNB-WIYYLYMNSA-N 2 1 367.537 4.079 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000157892892 1084576792 /nfs/dbraw/zinc/57/67/92/1084576792.db2.gz ZQQLGNKAAFSLQA-HGCBZUSOSA-N 2 1 369.553 4.063 20 0 FIADMP CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)c1 ZINC000657329138 1084589379 /nfs/dbraw/zinc/58/93/79/1084589379.db2.gz LIXSERWNYWCORQ-UHFFFAOYSA-N 2 1 353.441 4.317 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(F)c2OC(F)F)c1 ZINC000657348480 1084682190 /nfs/dbraw/zinc/68/21/90/1084682190.db2.gz XOZVWBMNRYFHTI-UHFFFAOYSA-N 2 1 352.400 4.169 20 0 FIADMP C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156910 1084714437 /nfs/dbraw/zinc/71/44/37/1084714437.db2.gz VOKDCMKQYFTFFG-FQCOAQKJSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccn(C)n1 ZINC000414156910 1084714441 /nfs/dbraw/zinc/71/44/41/1084714441.db2.gz VOKDCMKQYFTFFG-FQCOAQKJSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccn(C)n1 ZINC000414156910 1084714447 /nfs/dbraw/zinc/71/44/47/1084714447.db2.gz VOKDCMKQYFTFFG-FQCOAQKJSA-N 2 1 372.944 4.338 20 0 FIADMP C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657365098 1084746437 /nfs/dbraw/zinc/74/64/37/1084746437.db2.gz FPRSRBKGBKXGPE-KRWDZBQOSA-N 2 1 352.526 4.003 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C4CCC4)CC3)CC2)oc1C ZINC000657373625 1084790969 /nfs/dbraw/zinc/79/09/69/1084790969.db2.gz YBIUEDQJPVPALI-UHFFFAOYSA-N 2 1 359.558 4.452 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000613491020 1084820340 /nfs/dbraw/zinc/82/03/40/1084820340.db2.gz ADYQGGJVENDHBM-UHFFFAOYSA-N 2 1 365.949 4.113 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511107715 1084925280 /nfs/dbraw/zinc/92/52/80/1084925280.db2.gz OHWAPYDBYDPUCD-QGZVFWFLSA-N 2 1 351.416 4.480 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511107715 1084925285 /nfs/dbraw/zinc/92/52/85/1084925285.db2.gz OHWAPYDBYDPUCD-QGZVFWFLSA-N 2 1 351.416 4.480 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318338 1084927885 /nfs/dbraw/zinc/92/78/85/1084927885.db2.gz FURRLHNUUQGLKB-HARLFGEKSA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000563318338 1084927886 /nfs/dbraw/zinc/92/78/86/1084927886.db2.gz FURRLHNUUQGLKB-HARLFGEKSA-N 2 1 360.505 4.358 20 0 FIADMP O[C@@H](C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161401103 1085002329 /nfs/dbraw/zinc/00/23/29/1085002329.db2.gz KUFUJPWLNSLKDW-OALUTQOASA-N 2 1 350.572 4.292 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2cccc3ccccc32)C1 ZINC000472231011 1085135713 /nfs/dbraw/zinc/13/57/13/1085135713.db2.gz IBQDRRUBWOQRKF-HXUWFJFHSA-N 2 1 352.522 4.272 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000472231011 1085135719 /nfs/dbraw/zinc/13/57/19/1085135719.db2.gz IBQDRRUBWOQRKF-HXUWFJFHSA-N 2 1 352.522 4.272 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000472231011 1085135729 /nfs/dbraw/zinc/13/57/29/1085135729.db2.gz IBQDRRUBWOQRKF-HXUWFJFHSA-N 2 1 352.522 4.272 20 0 FIADMP CSC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671372 1085291522 /nfs/dbraw/zinc/29/15/22/1085291522.db2.gz JKMSCOCXOMTCBH-ULQDDVLXSA-N 2 1 358.473 4.326 20 0 FIADMP CSC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671372 1085291533 /nfs/dbraw/zinc/29/15/33/1085291533.db2.gz JKMSCOCXOMTCBH-ULQDDVLXSA-N 2 1 358.473 4.326 20 0 FIADMP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000684955557 1085300578 /nfs/dbraw/zinc/30/05/78/1085300578.db2.gz QABUXRGNORKVOL-AVRDEDQJSA-N 2 1 353.485 4.174 20 0 FIADMP CC[N@H+](CCC[NH2+]Cc1cnc(-c2ccncc2)s1)C1CCCCC1 ZINC000651910471 1085632270 /nfs/dbraw/zinc/63/22/70/1085632270.db2.gz VDOZRMHBTIOESI-UHFFFAOYSA-N 2 1 358.555 4.339 20 0 FIADMP CC[N@@H+](CCC[NH2+]Cc1cnc(-c2ccncc2)s1)C1CCCCC1 ZINC000651910471 1085632279 /nfs/dbraw/zinc/63/22/79/1085632279.db2.gz VDOZRMHBTIOESI-UHFFFAOYSA-N 2 1 358.555 4.339 20 0 FIADMP FCC[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](CCF)C3)c2)C1 ZINC000661690260 1085732444 /nfs/dbraw/zinc/73/24/44/1085732444.db2.gz OYJSBZIPJNDEGO-RTBURBONSA-N 2 1 365.512 4.225 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000652247430 1085776146 /nfs/dbraw/zinc/77/61/46/1085776146.db2.gz KSDXSWCJOHLWFH-VNXZQDSDSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000537941081 1085850556 /nfs/dbraw/zinc/85/05/56/1085850556.db2.gz HJCRVUZFTUVCEF-RBBKRZOGSA-N 3 1 369.597 4.284 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000468913363 1085943244 /nfs/dbraw/zinc/94/32/44/1085943244.db2.gz LHFDEBXTABYMNW-NRFANRHFSA-N 2 1 363.977 4.189 20 0 FIADMP COc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C(C)C)c(Br)c1 ZINC000582993971 1086005668 /nfs/dbraw/zinc/00/56/68/1086005668.db2.gz CWFSHDPEIKTHGS-GOSISDBHSA-N 2 1 367.331 4.006 20 0 FIADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000245970004 1086120003 /nfs/dbraw/zinc/12/00/03/1086120003.db2.gz FMBIVKPLOCUJJF-IBGZPJMESA-N 2 1 370.368 4.062 20 0 FIADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063419 1086131771 /nfs/dbraw/zinc/13/17/71/1086131771.db2.gz SQKIQLDLPRJDCW-DENIHFKCSA-N 2 1 350.506 4.184 20 0 FIADMP C[C@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000248880239 1086178058 /nfs/dbraw/zinc/17/80/58/1086178058.db2.gz KLYRBXOUCDBINF-GPJHCHHRSA-N 2 1 356.554 4.103 20 0 FIADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173110 1086351434 /nfs/dbraw/zinc/35/14/34/1086351434.db2.gz VVZXCWJZCDFNEA-HNAYVOBHSA-N 2 1 358.913 4.113 20 0 FIADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000583173110 1086351447 /nfs/dbraw/zinc/35/14/47/1086351447.db2.gz VVZXCWJZCDFNEA-HNAYVOBHSA-N 2 1 358.913 4.113 20 0 FIADMP COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000188470931 1086358171 /nfs/dbraw/zinc/35/81/71/1086358171.db2.gz ZPXIMIVTNBQJOG-OAHLLOKOSA-N 2 1 362.901 4.140 20 0 FIADMP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662293835 1086399088 /nfs/dbraw/zinc/39/90/88/1086399088.db2.gz OLPNKEVRBQBSRE-INIZCTEOSA-N 2 1 359.514 4.161 20 0 FIADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662295113 1086399155 /nfs/dbraw/zinc/39/91/55/1086399155.db2.gz SXGGNXVIHUJBDS-QGZVFWFLSA-N 2 1 371.550 4.030 20 0 FIADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327666 1086418975 /nfs/dbraw/zinc/41/89/75/1086418975.db2.gz KMVVWMMTANGSHP-HNNXBMFYSA-N 2 1 372.944 4.471 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)s1 ZINC000663346892 1086448022 /nfs/dbraw/zinc/44/80/22/1086448022.db2.gz WTAVIWDJWHUEBS-GXTWGEPZSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC(F)CC1 ZINC000657745382 1086462845 /nfs/dbraw/zinc/46/28/45/1086462845.db2.gz VQOBQFYXFVUKSW-VQSBYGRUSA-N 2 1 350.497 4.339 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(F)cc(F)c3)CC2)oc1C ZINC000162757333 1086464351 /nfs/dbraw/zinc/46/43/51/1086464351.db2.gz LTMIQKLWLVUJSF-AWEZNQCLSA-N 2 1 363.452 4.132 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)c2C1 ZINC000662706904 1086531162 /nfs/dbraw/zinc/53/11/62/1086531162.db2.gz YJKZWBQCSNMSJS-SFHVURJKSA-N 2 1 363.505 4.043 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)c2C1 ZINC000662706904 1086531165 /nfs/dbraw/zinc/53/11/65/1086531165.db2.gz YJKZWBQCSNMSJS-SFHVURJKSA-N 2 1 363.505 4.043 20 0 FIADMP CCCCC/C(=C/c1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751014 1086562669 /nfs/dbraw/zinc/56/26/69/1086562669.db2.gz MXYSINOUURXHII-RVQWUSFHSA-N 2 1 356.554 4.493 20 0 FIADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663468536 1086571711 /nfs/dbraw/zinc/57/17/11/1086571711.db2.gz LWCVRGLJVHKDQW-MOPGFXCFSA-N 2 1 351.538 4.045 20 0 FIADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468202 1086571993 /nfs/dbraw/zinc/57/19/93/1086571993.db2.gz KEXYRMCICPRMFR-UKRRQHHQSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468202 1086572006 /nfs/dbraw/zinc/57/20/06/1086572006.db2.gz KEXYRMCICPRMFR-UKRRQHHQSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468202 1086572015 /nfs/dbraw/zinc/57/20/15/1086572015.db2.gz KEXYRMCICPRMFR-UKRRQHHQSA-N 2 1 356.432 4.200 20 0 FIADMP COc1cc(OC)c([C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470152 1086574028 /nfs/dbraw/zinc/57/40/28/1086574028.db2.gz SLVMTBFLJAEBOB-HOCLYGCPSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663470152 1086574040 /nfs/dbraw/zinc/57/40/40/1086574040.db2.gz SLVMTBFLJAEBOB-HOCLYGCPSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470152 1086574048 /nfs/dbraw/zinc/57/40/48/1086574048.db2.gz SLVMTBFLJAEBOB-HOCLYGCPSA-N 2 1 366.933 4.130 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(-c4ccccc4)cc32)CC1 ZINC000427601311 1086617442 /nfs/dbraw/zinc/61/74/42/1086617442.db2.gz YMXNNEILHLHZFC-HSZRJFAPSA-N 2 1 350.506 4.041 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001167827203 1086622488 /nfs/dbraw/zinc/62/24/88/1086622488.db2.gz UQHJDEKRGJYCBQ-YLJYHZDGSA-N 2 1 350.572 4.296 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348007 1086645895 /nfs/dbraw/zinc/64/58/95/1086645895.db2.gz POILDFGTXYENFY-INIZCTEOSA-N 2 1 362.514 4.145 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348007 1086645902 /nfs/dbraw/zinc/64/59/02/1086645902.db2.gz POILDFGTXYENFY-INIZCTEOSA-N 2 1 362.514 4.145 20 0 FIADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143449086 1086665186 /nfs/dbraw/zinc/66/51/86/1086665186.db2.gz VRMUEJZADLHEAD-CQSZACIVSA-N 2 1 370.346 4.081 20 0 FIADMP Cc1cnccc1O[C@@H]1CCN(Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143449086 1086665192 /nfs/dbraw/zinc/66/51/92/1086665192.db2.gz VRMUEJZADLHEAD-CQSZACIVSA-N 2 1 370.346 4.081 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001167833388 1086665358 /nfs/dbraw/zinc/66/53/58/1086665358.db2.gz ARUKLLYLYLSGJA-HNNXBMFYSA-N 2 1 361.357 4.298 20 0 FIADMP CCOC(=O)C1([N@H+](Cc2ccccc2)[C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835020 1086693045 /nfs/dbraw/zinc/69/30/45/1086693045.db2.gz ONIKTQFJJFGTTC-IBGZPJMESA-N 2 1 360.542 4.095 20 0 FIADMP CCOC(=O)C1([N@@H+](Cc2ccccc2)[C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835020 1086693049 /nfs/dbraw/zinc/69/30/49/1086693049.db2.gz ONIKTQFJJFGTTC-IBGZPJMESA-N 2 1 360.542 4.095 20 0 FIADMP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000127277493 1086702844 /nfs/dbraw/zinc/70/28/44/1086702844.db2.gz XYHKHNUYEMPQGO-UHFFFAOYSA-N 2 1 360.448 4.085 20 0 FIADMP CC[N@H+]1CC[C@H](CNCc2c(Cl)n(-c3ccccc3)nc2C(C)C)C1 ZINC000236825856 1086711345 /nfs/dbraw/zinc/71/13/45/1086711345.db2.gz YMERYABXQNDNHO-MRXNPFEDSA-N 2 1 360.933 4.081 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Sc2ccccc2OC)C1 ZINC001167839649 1086715046 /nfs/dbraw/zinc/71/50/46/1086715046.db2.gz AZMVNJBAIZKXLK-ZWKOTPCHSA-N 2 1 350.572 4.372 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001167841733 1086738731 /nfs/dbraw/zinc/73/87/31/1086738731.db2.gz PRRYXWVEAQVNST-SFHVURJKSA-N 2 1 369.594 4.218 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428239 1086756315 /nfs/dbraw/zinc/75/63/15/1086756315.db2.gz JEVBUPPNNJDJQT-DZVQBONVSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432428239 1086756320 /nfs/dbraw/zinc/75/63/20/1086756320.db2.gz JEVBUPPNNJDJQT-DZVQBONVSA-N 2 1 358.570 4.470 20 0 FIADMP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000650710080 1086767335 /nfs/dbraw/zinc/76/73/35/1086767335.db2.gz CJFPYGAXDZVZHX-HSALFYBXSA-N 2 1 355.457 4.023 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCCO1 ZINC000432438714 1086769116 /nfs/dbraw/zinc/76/91/16/1086769116.db2.gz BWWNYPGWLVSIHF-OFNKIYASSA-N 2 1 352.522 4.061 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC000512127676 1086796337 /nfs/dbraw/zinc/79/63/37/1086796337.db2.gz BRPKDWQJKBDARH-UHFFFAOYSA-N 2 1 371.472 4.291 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCc4ccccc4N3)CC2)cc1 ZINC000650720994 1086810536 /nfs/dbraw/zinc/81/05/36/1086810536.db2.gz LENYMTPVOQOPDZ-QHCPKHFHSA-N 2 1 363.549 4.100 20 0 FIADMP CC(C)Oc1ccc(CC[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512137850 1086817347 /nfs/dbraw/zinc/81/73/47/1086817347.db2.gz WJFPWIKJOHVIOL-INIZCTEOSA-N 2 1 361.555 4.103 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773404 1086834098 /nfs/dbraw/zinc/83/40/98/1086834098.db2.gz RIDPVZYOPUJODQ-XLIONFOSSA-N 2 1 353.485 4.174 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000512146316 1086836942 /nfs/dbraw/zinc/83/69/42/1086836942.db2.gz OXSMXGSTACSRNZ-SFHVURJKSA-N 2 1 368.521 4.226 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000512146316 1086836956 /nfs/dbraw/zinc/83/69/56/1086836956.db2.gz OXSMXGSTACSRNZ-SFHVURJKSA-N 2 1 368.521 4.226 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170646 1086873270 /nfs/dbraw/zinc/87/32/70/1086873270.db2.gz SVOPCIGLCUBXNW-RTBURBONSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170646 1086873286 /nfs/dbraw/zinc/87/32/86/1086873286.db2.gz SVOPCIGLCUBXNW-RTBURBONSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170646 1086873296 /nfs/dbraw/zinc/87/32/96/1086873296.db2.gz SVOPCIGLCUBXNW-RTBURBONSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170646 1086873313 /nfs/dbraw/zinc/87/33/13/1086873313.db2.gz SVOPCIGLCUBXNW-RTBURBONSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000246176521 1086903056 /nfs/dbraw/zinc/90/30/56/1086903056.db2.gz BQXVMTLWLBTFLN-GGPKGHCWSA-N 2 1 357.542 4.025 20 0 FIADMP C[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH2+]CC1 ZINC000246209805 1086907872 /nfs/dbraw/zinc/90/78/72/1086907872.db2.gz FTXCFVFHRNUDKR-ZWKOTPCHSA-N 2 1 357.542 4.025 20 0 FIADMP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)[C@H]21 ZINC000657787594 1086934481 /nfs/dbraw/zinc/93/44/81/1086934481.db2.gz CVWUKVMVNAXNOU-PNJWGLBASA-N 2 1 362.492 4.251 20 0 FIADMP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)[C@H]21 ZINC000657787594 1086934485 /nfs/dbraw/zinc/93/44/85/1086934485.db2.gz CVWUKVMVNAXNOU-PNJWGLBASA-N 2 1 362.492 4.251 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000151355909 1087094625 /nfs/dbraw/zinc/09/46/25/1087094625.db2.gz FYMLZYPWXKYORD-DEOSSOPVSA-N 2 1 366.549 4.187 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130264 1087123622 /nfs/dbraw/zinc/12/36/22/1087123622.db2.gz DTFVJZVPHINWAV-KBPBESRZSA-N 2 1 357.325 4.145 20 0 FIADMP Cc1ccc(COc2ccc(C[C@H](C)[NH2+]C3CC[NH+](C)CC3)cc2)cc1 ZINC000089549416 1087394758 /nfs/dbraw/zinc/39/47/58/1087394758.db2.gz JFFJCYCSHQPORP-IBGZPJMESA-N 2 1 352.522 4.189 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C(C)C ZINC000657862468 1087425367 /nfs/dbraw/zinc/42/53/67/1087425367.db2.gz DMDWXUKGSPHLAV-MRXNPFEDSA-N 2 1 354.267 4.080 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000584447245 1087428901 /nfs/dbraw/zinc/42/89/01/1087428901.db2.gz ASCDAGVYFNGLSP-UHFFFAOYSA-N 2 1 351.416 4.297 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2ccc(F)cc2o1 ZINC000092821599 1087448687 /nfs/dbraw/zinc/44/86/87/1087448687.db2.gz NLCDXDJZBUTPPV-UHFFFAOYSA-N 2 1 368.456 4.100 20 0 FIADMP CCC[N@H+](Cc1ccc(Cl)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417525 1087461551 /nfs/dbraw/zinc/46/15/51/1087461551.db2.gz BXNJYYLTUSSJQQ-UHFFFAOYSA-N 2 1 362.905 4.221 20 0 FIADMP CCC[N@@H+](Cc1ccc(Cl)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417525 1087461553 /nfs/dbraw/zinc/46/15/53/1087461553.db2.gz BXNJYYLTUSSJQQ-UHFFFAOYSA-N 2 1 362.905 4.221 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1)CC(C)C ZINC000685462643 1087575318 /nfs/dbraw/zinc/57/53/18/1087575318.db2.gz OEFXAQNZXMLSKD-UHFFFAOYSA-N 2 1 372.601 4.262 20 0 FIADMP CN1CCC([N@H+](Cc2ccccc2)C[C@@H]2CCOc3ccccc32)CC1 ZINC000685467818 1087577695 /nfs/dbraw/zinc/57/76/95/1087577695.db2.gz BVBLFNYPEOYDEB-FQEVSTJZSA-N 2 1 350.506 4.149 20 0 FIADMP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@H]2CCOc3ccccc32)CC1 ZINC000685467818 1087577696 /nfs/dbraw/zinc/57/76/96/1087577696.db2.gz BVBLFNYPEOYDEB-FQEVSTJZSA-N 2 1 350.506 4.149 20 0 FIADMP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@H]2CCOc3ccccc32)CC1 ZINC000685467818 1087577698 /nfs/dbraw/zinc/57/76/98/1087577698.db2.gz BVBLFNYPEOYDEB-FQEVSTJZSA-N 2 1 350.506 4.149 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000062426979 1087599743 /nfs/dbraw/zinc/59/97/43/1087599743.db2.gz VQBOQRAPDAPXEN-HXUWFJFHSA-N 2 1 356.485 4.225 20 0 FIADMP C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662045 1087666727 /nfs/dbraw/zinc/66/67/27/1087666727.db2.gz YZFGSYGQLKQZHW-LRXVAGHRSA-N 2 1 370.562 4.036 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cc2cc1OC ZINC000658034160 1087704065 /nfs/dbraw/zinc/70/40/65/1087704065.db2.gz COIBQOQUXITMLV-IAGOWNOFSA-N 2 1 356.510 4.240 20 0 FIADMP CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658136075 1087727856 /nfs/dbraw/zinc/72/78/56/1087727856.db2.gz BKVRGFGGOXLFMP-XZOQPEGZSA-N 2 1 352.522 4.057 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CCC2)cc1 ZINC000658141948 1087733583 /nfs/dbraw/zinc/73/35/83/1087733583.db2.gz YCMFBMKFLKGGMI-RPWUZVMVSA-N 2 1 364.533 4.193 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3cccs3)C3CCCC3)cc2)C1 ZINC000658140404 1087733940 /nfs/dbraw/zinc/73/39/40/1087733940.db2.gz QOBDEHGQNQIKBY-IFMALSPDSA-N 2 1 370.562 4.336 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658142483 1087734042 /nfs/dbraw/zinc/73/40/42/1087734042.db2.gz ZNCFVNOYZLQGNA-DHIUTWEWSA-N 2 1 370.512 4.269 20 0 FIADMP CCCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658143151 1087735524 /nfs/dbraw/zinc/73/55/24/1087735524.db2.gz XBLBTDVJRHGEAL-FDDCHVKYSA-N 2 1 352.522 4.057 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000472357264 1087745486 /nfs/dbraw/zinc/74/54/86/1087745486.db2.gz YXYGQHXMIHSOKI-QUCCMNQESA-N 2 1 355.551 4.193 20 0 FIADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000472357264 1087745494 /nfs/dbraw/zinc/74/54/94/1087745494.db2.gz YXYGQHXMIHSOKI-QUCCMNQESA-N 2 1 355.551 4.193 20 0 FIADMP CC[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000647934792 1087811873 /nfs/dbraw/zinc/81/18/73/1087811873.db2.gz QNKVVZRZYUTGOF-CJNGLKHVSA-N 2 1 374.941 4.275 20 0 FIADMP CC[C@@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1[NH3+] ZINC000647934792 1087811906 /nfs/dbraw/zinc/81/19/06/1087811906.db2.gz QNKVVZRZYUTGOF-CJNGLKHVSA-N 2 1 374.941 4.275 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000472590785 1087875140 /nfs/dbraw/zinc/87/51/40/1087875140.db2.gz OILRTZMNVCJHIO-GOSISDBHSA-N 2 1 363.977 4.282 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299762 1087904387 /nfs/dbraw/zinc/90/43/87/1087904387.db2.gz VREUQWFYPILBRO-GOSISDBHSA-N 2 1 371.569 4.336 20 0 FIADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414345929 1087915814 /nfs/dbraw/zinc/91/58/14/1087915814.db2.gz UKSVFTKXOHOYHU-REWPJTCUSA-N 2 1 350.506 4.053 20 0 FIADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000647532552 1087955736 /nfs/dbraw/zinc/95/57/36/1087955736.db2.gz BTSPCNIHRZXCJL-AZUAARDMSA-N 2 1 355.551 4.193 20 0 FIADMP Cc1ccc(N2CCC([NH2+]CCCc3c(F)cccc3Cl)CC2)[nH+]c1 ZINC000472599431 1087999970 /nfs/dbraw/zinc/99/99/70/1087999970.db2.gz VOJPZMVDSXEECR-UHFFFAOYSA-N 2 1 361.892 4.374 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581925 1088535269 /nfs/dbraw/zinc/53/52/69/1088535269.db2.gz DAOAAVIRGRSYHA-MJGOQNOKSA-N 2 1 356.485 4.397 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000311581925 1088535280 /nfs/dbraw/zinc/53/52/80/1088535280.db2.gz DAOAAVIRGRSYHA-MJGOQNOKSA-N 2 1 356.485 4.397 20 0 FIADMP FC(F)(F)Oc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)c1 ZINC000514101139 1088747022 /nfs/dbraw/zinc/74/70/22/1088747022.db2.gz ZBFWQYCYAFLGGX-XYJFISCASA-N 2 1 354.416 4.253 20 0 FIADMP COCC[C@@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678571 1088927795 /nfs/dbraw/zinc/92/77/95/1088927795.db2.gz HXZZDJHNZQBWCY-NRFANRHFSA-N 2 1 353.510 4.177 20 0 FIADMP CC(C)[C@H]1[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC12CCC2 ZINC000430107800 1088997405 /nfs/dbraw/zinc/99/74/05/1088997405.db2.gz YMWLOFAKJSLLCW-JOCHJYFZSA-N 2 1 355.570 4.228 20 0 FIADMP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000549139554 1089001023 /nfs/dbraw/zinc/00/10/23/1089001023.db2.gz ZFOKOHZTUZZIEX-OAHLLOKOSA-N 2 1 359.901 4.179 20 0 FIADMP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000549139554 1089001031 /nfs/dbraw/zinc/00/10/31/1089001031.db2.gz ZFOKOHZTUZZIEX-OAHLLOKOSA-N 2 1 359.901 4.179 20 0 FIADMP FC(F)(F)C1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000378891063 1089028409 /nfs/dbraw/zinc/02/84/09/1089028409.db2.gz QLVYYUXRVQINII-UHFFFAOYSA-N 2 1 354.460 4.404 20 0 FIADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415090488 1089143858 /nfs/dbraw/zinc/14/38/58/1089143858.db2.gz OZTYXCHRWYLRJZ-MOPGFXCFSA-N 2 1 359.311 4.340 20 0 FIADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415087330 1089146053 /nfs/dbraw/zinc/14/60/53/1089146053.db2.gz VZVBTVVYAPICLB-VQTJNVASSA-N 2 1 368.521 4.064 20 0 FIADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089311 1089147779 /nfs/dbraw/zinc/14/77/79/1089147779.db2.gz WDFDOBBLHPIABN-IYWMVGAKSA-N 2 1 361.599 4.031 20 0 FIADMP CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089314 1089148258 /nfs/dbraw/zinc/14/82/58/1089148258.db2.gz WDFDOBBLHPIABN-VNTMZGSJSA-N 2 1 361.599 4.031 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1 ZINC000435041285 1089217511 /nfs/dbraw/zinc/21/75/11/1089217511.db2.gz IPQWDEMQFGRQMK-JUXOCIIHSA-N 2 1 365.521 4.319 20 0 FIADMP CC1(C)Cc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc2O1 ZINC000435056895 1089245674 /nfs/dbraw/zinc/24/56/74/1089245674.db2.gz IRMWFAPLLCRIQJ-UHFFFAOYSA-N 2 1 365.521 4.313 20 0 FIADMP COc1c(C)cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000435060242 1089247212 /nfs/dbraw/zinc/24/72/12/1089247212.db2.gz SAIKUYYFUNCOPT-UHFFFAOYSA-N 2 1 353.510 4.224 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)CC[N@@H+]1C ZINC000549227987 1089287296 /nfs/dbraw/zinc/28/72/96/1089287296.db2.gz GKUVDHMESUIXHD-QBIMZIAESA-N 2 1 351.332 4.289 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)CC[N@H+]1C ZINC000549227987 1089287304 /nfs/dbraw/zinc/28/73/04/1089287304.db2.gz GKUVDHMESUIXHD-QBIMZIAESA-N 2 1 351.332 4.289 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000472766045 1089359024 /nfs/dbraw/zinc/35/90/24/1089359024.db2.gz FISQKEPWNAXMQC-MRXNPFEDSA-N 2 1 372.384 4.402 20 0 FIADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374808 1089567444 /nfs/dbraw/zinc/56/74/44/1089567444.db2.gz YOWMZTHOFFTAGI-HUUCEWRRSA-N 2 1 360.933 4.128 20 0 FIADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374808 1089567454 /nfs/dbraw/zinc/56/74/54/1089567454.db2.gz YOWMZTHOFFTAGI-HUUCEWRRSA-N 2 1 360.933 4.128 20 0 FIADMP C[N@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000435379628 1089584104 /nfs/dbraw/zinc/58/41/04/1089584104.db2.gz MXVITJKUCQJHHR-UHFFFAOYSA-N 2 1 360.933 4.142 20 0 FIADMP C[N@@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000435379628 1089584122 /nfs/dbraw/zinc/58/41/22/1089584122.db2.gz MXVITJKUCQJHHR-UHFFFAOYSA-N 2 1 360.933 4.142 20 0 FIADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380850 1089588361 /nfs/dbraw/zinc/58/83/61/1089588361.db2.gz UBDNPFFDWAGFDA-GJZGRUSLSA-N 2 1 360.933 4.128 20 0 FIADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380850 1089588369 /nfs/dbraw/zinc/58/83/69/1089588369.db2.gz UBDNPFFDWAGFDA-GJZGRUSLSA-N 2 1 360.933 4.128 20 0 FIADMP c1ccc(C[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435391401 1089597850 /nfs/dbraw/zinc/59/78/50/1089597850.db2.gz FANKAHPXKZTXRA-XMMPIXPASA-N 2 1 372.516 4.288 20 0 FIADMP c1ccc(C[N@H+](Cc2cccc(-c3ccncc3)c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435391401 1089597857 /nfs/dbraw/zinc/59/78/57/1089597857.db2.gz FANKAHPXKZTXRA-XMMPIXPASA-N 2 1 372.516 4.288 20 0 FIADMP CCn1ccnc1C[N@H+](Cc1cccc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694056 1089874579 /nfs/dbraw/zinc/87/45/79/1089874579.db2.gz KNLVYOFLDQZIHR-JOCHJYFZSA-N 2 1 374.532 4.201 20 0 FIADMP CCn1ccnc1C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694056 1089874599 /nfs/dbraw/zinc/87/45/99/1089874599.db2.gz KNLVYOFLDQZIHR-JOCHJYFZSA-N 2 1 374.532 4.201 20 0 FIADMP COc1cccc(C(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc(OC)c2)c1 ZINC000893099222 1089893054 /nfs/dbraw/zinc/89/30/54/1089893054.db2.gz IRMHWPCYINEZAR-IHWFROFDSA-N 2 1 366.505 4.008 20 0 FIADMP C[N@@H+](C[C@@H]1CCC2(CCCCC2)O1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000467198495 1090200445 /nfs/dbraw/zinc/20/04/45/1090200445.db2.gz UCQGPFWYOIAJKV-NRFANRHFSA-N 2 1 357.542 4.112 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000660007088 1090400103 /nfs/dbraw/zinc/40/01/03/1090400103.db2.gz YWBOXEQKLIDBLU-SFHVURJKSA-N 2 1 352.526 4.106 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000382072931 1090430621 /nfs/dbraw/zinc/43/06/21/1090430621.db2.gz ZXLXFFQFJJLFDY-DENIHFKCSA-N 2 1 352.522 4.474 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511572896 1090467568 /nfs/dbraw/zinc/46/75/68/1090467568.db2.gz FZPRMIOQCACPDW-QGZVFWFLSA-N 2 1 353.388 4.221 20 0 FIADMP Cc1ncc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628297647 1090798588 /nfs/dbraw/zinc/79/85/88/1090798588.db2.gz GWDNCXYQRYYUEL-NRFANRHFSA-N 2 1 353.510 4.106 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000584794818 1090896007 /nfs/dbraw/zinc/89/60/07/1090896007.db2.gz QEPLIQCEDQZXFX-PCCBWWKXSA-N 2 1 358.913 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000584794818 1090896018 /nfs/dbraw/zinc/89/60/18/1090896018.db2.gz QEPLIQCEDQZXFX-PCCBWWKXSA-N 2 1 358.913 4.189 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000500086384 1091031699 /nfs/dbraw/zinc/03/16/99/1091031699.db2.gz DIMRNMCZZCWKEW-GOSISDBHSA-N 2 1 363.977 4.282 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001167753129 1091175878 /nfs/dbraw/zinc/17/58/78/1091175878.db2.gz KYKHCOIFARVYDH-IBGZPJMESA-N 2 1 368.569 4.483 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511772555 1091656945 /nfs/dbraw/zinc/65/69/45/1091656945.db2.gz MPIMTXJENRGRTE-KNKQGSTJSA-N 2 1 352.522 4.214 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000512222642 1091928947 /nfs/dbraw/zinc/92/89/47/1091928947.db2.gz VFRCILFUDGLBFN-SFHVURJKSA-N 2 1 365.521 4.375 20 0 FIADMP Cc1c(C)n(C2CCCCC2)c(=S)n1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000728907347 1091970350 /nfs/dbraw/zinc/97/03/50/1091970350.db2.gz VXJCEQLHAAJUFQ-UHFFFAOYSA-N 2 1 364.603 4.372 20 0 FIADMP Cc1c(C)n(C2CCCCC2)c(=S)n1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000728907347 1091970352 /nfs/dbraw/zinc/97/03/52/1091970352.db2.gz VXJCEQLHAAJUFQ-UHFFFAOYSA-N 2 1 364.603 4.372 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011900 1092302780 /nfs/dbraw/zinc/30/27/80/1092302780.db2.gz UFVBHDQYMSMFSU-HATOLVCRSA-N 2 1 351.538 4.284 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011936 1092309149 /nfs/dbraw/zinc/30/91/49/1092309149.db2.gz UJFDDQINVYCORQ-UDKICSLYSA-N 2 1 350.506 4.021 20 0 FIADMP Cc1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012157 1092333027 /nfs/dbraw/zinc/33/30/27/1092333027.db2.gz XBGWBVAVNLVPBA-VTYHHJSWSA-N 2 1 352.522 4.405 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1OC ZINC000520956133 1092382810 /nfs/dbraw/zinc/38/28/10/1092382810.db2.gz AFEUARGISTXCHF-UHFFFAOYSA-N 2 1 368.949 4.492 20 0 FIADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000520956133 1092382819 /nfs/dbraw/zinc/38/28/19/1092382819.db2.gz AFEUARGISTXCHF-UHFFFAOYSA-N 2 1 368.949 4.492 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000665271999 1092408664 /nfs/dbraw/zinc/40/86/64/1092408664.db2.gz WHUDIIQLKRQAQH-UEQSERJNSA-N 2 1 361.533 4.289 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2csc(-c3ccccn3)n2)c1 ZINC000236669780 1092408893 /nfs/dbraw/zinc/40/88/93/1092408893.db2.gz OIXQMJQLKHYKER-UHFFFAOYSA-N 2 1 366.534 4.335 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(-c3ccccn3)n2)c1 ZINC000236669780 1092408898 /nfs/dbraw/zinc/40/88/98/1092408898.db2.gz OIXQMJQLKHYKER-UHFFFAOYSA-N 2 1 366.534 4.335 20 0 FIADMP COc1cc([C@H](C)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000521016651 1092425322 /nfs/dbraw/zinc/42/53/22/1092425322.db2.gz QGBCDIFIFFXLHY-PKOBYXMFSA-N 2 1 371.500 4.182 20 0 FIADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000521043699 1092442158 /nfs/dbraw/zinc/44/21/58/1092442158.db2.gz HSCYQSIVNPZOHM-UGKGYDQZSA-N 2 1 374.532 4.076 20 0 FIADMP C[C@@H]1CC([NH2+]C[C@H](c2ccccc2)N(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014112 1092674626 /nfs/dbraw/zinc/67/46/26/1092674626.db2.gz KABPCMNFRVRFFP-YOSAUDMPSA-N 2 1 365.565 4.321 20 0 FIADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000512542565 1092741045 /nfs/dbraw/zinc/74/10/45/1092741045.db2.gz RAMRKXXVSQLNHD-FQEVSTJZSA-N 2 1 359.901 4.059 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442776655 1092758422 /nfs/dbraw/zinc/75/84/22/1092758422.db2.gz CDIMISYXLBBYNQ-XLIONFOSSA-N 2 1 359.517 4.450 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442776652 1092758546 /nfs/dbraw/zinc/75/85/46/1092758546.db2.gz CDIMISYXLBBYNQ-PXNSSMCTSA-N 2 1 359.517 4.450 20 0 FIADMP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443062314 1092924174 /nfs/dbraw/zinc/92/41/74/1092924174.db2.gz UKORVFGXLCQIMZ-SIKLNZKXSA-N 2 1 365.521 4.044 20 0 FIADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000245687117 1092948748 /nfs/dbraw/zinc/94/87/48/1092948748.db2.gz JSNSZOWWXUAFAC-KJJMTIBFSA-N 2 1 370.924 4.159 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612056 1092990708 /nfs/dbraw/zinc/99/07/08/1092990708.db2.gz NMUFKPLYXMYNSH-KAGYGMCKSA-N 2 1 367.537 4.190 20 0 FIADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612056 1092990710 /nfs/dbraw/zinc/99/07/10/1092990710.db2.gz NMUFKPLYXMYNSH-KAGYGMCKSA-N 2 1 367.537 4.190 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000512646705 1093068327 /nfs/dbraw/zinc/06/83/27/1093068327.db2.gz CMDHHHLYKSADDA-NJDAHSKKSA-N 2 1 367.562 4.194 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512653317 1093080095 /nfs/dbraw/zinc/08/00/95/1093080095.db2.gz DOQNHDSYJJHESN-MRKXFKPJSA-N 2 1 370.581 4.208 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1F ZINC000474050216 1093146201 /nfs/dbraw/zinc/14/62/01/1093146201.db2.gz GDPKWAMHDWXRCU-NLWGTHIKSA-N 2 1 357.473 4.005 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1F ZINC000474050215 1093146400 /nfs/dbraw/zinc/14/64/00/1093146400.db2.gz GDPKWAMHDWXRCU-CMKODMSKSA-N 2 1 357.473 4.005 20 0 FIADMP C[C@H]1CC([NH2+]CCC(=O)c2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017577 1093153333 /nfs/dbraw/zinc/15/33/33/1093153333.db2.gz BDTDKSSTJPFNAR-OALUTQOASA-N 2 1 350.506 4.291 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000474068054 1093182310 /nfs/dbraw/zinc/18/23/10/1093182310.db2.gz SJVNQTSGNBJODO-MDNUFGMLSA-N 2 1 356.554 4.144 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)C2)c1 ZINC000474076659 1093189759 /nfs/dbraw/zinc/18/97/59/1093189759.db2.gz YSCNBLYBAYVAQR-RMVXJAJNSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)C2)c1 ZINC000474076659 1093189762 /nfs/dbraw/zinc/18/97/62/1093189762.db2.gz YSCNBLYBAYVAQR-RMVXJAJNSA-N 2 1 362.583 4.145 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474085418 1093234514 /nfs/dbraw/zinc/23/45/14/1093234514.db2.gz WAOSMRYTOFQWOG-YUXAGFNASA-N 2 1 350.506 4.319 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474085418 1093234520 /nfs/dbraw/zinc/23/45/20/1093234520.db2.gz WAOSMRYTOFQWOG-YUXAGFNASA-N 2 1 350.506 4.319 20 0 FIADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248586894 1093275632 /nfs/dbraw/zinc/27/56/32/1093275632.db2.gz QGFIQQJXLFCAHU-IQUTYRLHSA-N 2 1 371.352 4.269 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC(C)C)cc2)[C@H](C)C1 ZINC000469787215 1093295832 /nfs/dbraw/zinc/29/58/32/1093295832.db2.gz NXVTZHCUEIOBTF-NQIIRXRSSA-N 2 1 364.599 4.414 20 0 FIADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443599400 1093307250 /nfs/dbraw/zinc/30/72/50/1093307250.db2.gz JXVHUVPYBKYVGH-INIZCTEOSA-N 2 1 374.554 4.447 20 0 FIADMP CC(C)(C)OC(=O)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433178071 1093390165 /nfs/dbraw/zinc/39/01/65/1093390165.db2.gz VVNJULANBFCNTC-UHFFFAOYSA-N 2 1 372.553 4.096 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000512846954 1093446434 /nfs/dbraw/zinc/44/64/34/1093446434.db2.gz RZGVQLKSZXFGIZ-GOSISDBHSA-N 2 1 358.913 4.350 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cscc2Br)c1 ZINC000512036268 1093508792 /nfs/dbraw/zinc/50/87/92/1093508792.db2.gz GGHUPNQLPBFXKR-UHFFFAOYSA-N 2 1 353.329 4.252 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cscc2Br)c1 ZINC000512036268 1093508796 /nfs/dbraw/zinc/50/87/96/1093508796.db2.gz GGHUPNQLPBFXKR-UHFFFAOYSA-N 2 1 353.329 4.252 20 0 FIADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168028047 1093528062 /nfs/dbraw/zinc/52/80/62/1093528062.db2.gz ODKYILOMBLEUOK-KEZQHZCBSA-N 2 1 359.602 4.419 20 0 FIADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168028047 1093528075 /nfs/dbraw/zinc/52/80/75/1093528075.db2.gz ODKYILOMBLEUOK-KEZQHZCBSA-N 2 1 359.602 4.419 20 0 FIADMP Cc1nc(C(C)C)oc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000428290190 1093549918 /nfs/dbraw/zinc/54/99/18/1093549918.db2.gz WNXUGBAXDAHMKV-UHFFFAOYSA-N 2 1 356.514 4.240 20 0 FIADMP CC[N@@H+](CCCc1ccc(C)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474274987 1093635198 /nfs/dbraw/zinc/63/51/98/1093635198.db2.gz NWFUXWGOMQAYTG-QHCPKHFHSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1ccc(C)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474274987 1093635203 /nfs/dbraw/zinc/63/52/03/1093635203.db2.gz NWFUXWGOMQAYTG-QHCPKHFHSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1ccc(C)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474274987 1093635210 /nfs/dbraw/zinc/63/52/10/1093635210.db2.gz NWFUXWGOMQAYTG-QHCPKHFHSA-N 2 1 351.538 4.167 20 0 FIADMP Cc1ccc(CCC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000474280498 1093649632 /nfs/dbraw/zinc/64/96/32/1093649632.db2.gz WGPSFVGVXKFAED-UHFFFAOYSA-N 2 1 363.549 4.311 20 0 FIADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168032216 1093652587 /nfs/dbraw/zinc/65/25/87/1093652587.db2.gz GQDPZVMSRRGFPI-HVYFLLBWSA-N 2 1 372.553 4.140 20 0 FIADMP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168034000 1093728599 /nfs/dbraw/zinc/72/85/99/1093728599.db2.gz NXLNHXIGCBVSDS-VTYHHJSWSA-N 2 1 363.549 4.453 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000513080900 1093782684 /nfs/dbraw/zinc/78/26/84/1093782684.db2.gz GNDZLEVDRDSSFH-FXAWDEMLSA-N 2 1 356.485 4.020 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000513080900 1093782692 /nfs/dbraw/zinc/78/26/92/1093782692.db2.gz GNDZLEVDRDSSFH-FXAWDEMLSA-N 2 1 356.485 4.020 20 0 FIADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000513344304 1094077561 /nfs/dbraw/zinc/07/75/61/1094077561.db2.gz ZAPUNBJTCJVFAK-UWJYYQICSA-N 2 1 356.460 4.106 20 0 FIADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000513344304 1094077567 /nfs/dbraw/zinc/07/75/67/1094077567.db2.gz ZAPUNBJTCJVFAK-UWJYYQICSA-N 2 1 356.460 4.106 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363056 1094080722 /nfs/dbraw/zinc/08/07/22/1094080722.db2.gz GUFMEWKIRFLSPN-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363056 1094080729 /nfs/dbraw/zinc/08/07/29/1094080729.db2.gz GUFMEWKIRFLSPN-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP Cc1cccc2ncc(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)n21 ZINC000513493439 1094160930 /nfs/dbraw/zinc/16/09/30/1094160930.db2.gz ASEIVVIXIFAXBN-TZIWHRDSSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494784 1094162935 /nfs/dbraw/zinc/16/29/35/1094162935.db2.gz JRLNZVOTHZLVBI-TZIWHRDSSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000513494784 1094162941 /nfs/dbraw/zinc/16/29/41/1094162941.db2.gz JRLNZVOTHZLVBI-TZIWHRDSSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@H+]1Cc1ccccc1 ZINC000513494784 1094162946 /nfs/dbraw/zinc/16/29/46/1094162946.db2.gz JRLNZVOTHZLVBI-TZIWHRDSSA-N 2 1 374.532 4.467 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000513671791 1094266432 /nfs/dbraw/zinc/26/64/32/1094266432.db2.gz FSHNSQIBPQPJMZ-UHFFFAOYSA-N 2 1 374.532 4.405 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000513703685 1094410953 /nfs/dbraw/zinc/41/09/53/1094410953.db2.gz YTAFXKCLPSWFPR-FKBYEOEOSA-N 2 1 350.506 4.195 20 0 FIADMP C[C@@H]1CC([NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039466 1094459697 /nfs/dbraw/zinc/45/96/97/1094459697.db2.gz FDCTZQGKDLSNDT-NHCUHLMSSA-N 2 1 363.549 4.250 20 0 FIADMP COCC[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501092902 1094500807 /nfs/dbraw/zinc/50/08/07/1094500807.db2.gz XZSNAWRAIMNWDV-QFIPXVFZSA-N 2 1 353.510 4.008 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000474722347 1094541652 /nfs/dbraw/zinc/54/16/52/1094541652.db2.gz XPPHEQRFRDYCHK-UHFFFAOYSA-N 2 1 370.493 4.122 20 0 FIADMP Cc1ccc(CCC[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000474881344 1094844223 /nfs/dbraw/zinc/84/42/23/1094844223.db2.gz VWQQKVARSJIZRM-OFNKIYASSA-N 2 1 351.538 4.213 20 0 FIADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC[C@H]1CC[NH2+]C1 ZINC000420294171 1094853666 /nfs/dbraw/zinc/85/36/66/1094853666.db2.gz AUEAXIXJYNJELA-QGZVFWFLSA-N 2 1 359.489 4.125 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297686 1094856534 /nfs/dbraw/zinc/85/65/34/1094856534.db2.gz ZDJDWUXSHUPAHA-AQOAWAETSA-N 2 1 361.489 4.151 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297686 1094856549 /nfs/dbraw/zinc/85/65/49/1094856549.db2.gz ZDJDWUXSHUPAHA-AQOAWAETSA-N 2 1 361.489 4.151 20 0 FIADMP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000474894383 1094864585 /nfs/dbraw/zinc/86/45/85/1094864585.db2.gz IAAQEXJKVGFZIM-UHFFFAOYSA-N 2 1 362.521 4.311 20 0 FIADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420322949 1094869052 /nfs/dbraw/zinc/86/90/52/1094869052.db2.gz SWVZTAMKFJHUGK-AWEZNQCLSA-N 2 1 372.340 4.034 20 0 FIADMP Clc1ccccc1-c1csc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325982 1094889886 /nfs/dbraw/zinc/88/98/86/1094889886.db2.gz IVQSLXDWZDTNJP-LSDHHAIUSA-N 2 1 361.942 4.285 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420366060 1094901459 /nfs/dbraw/zinc/90/14/59/1094901459.db2.gz JFCOOHGCLKYMAQ-JPYJTQIMSA-N 2 1 363.505 4.075 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420366060 1094901465 /nfs/dbraw/zinc/90/14/65/1094901465.db2.gz JFCOOHGCLKYMAQ-JPYJTQIMSA-N 2 1 363.505 4.075 20 0 FIADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000420376665 1094912712 /nfs/dbraw/zinc/91/27/12/1094912712.db2.gz QYENFPPUXNTWMA-NVXWUHKLSA-N 2 1 361.555 4.319 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000501776523 1094920164 /nfs/dbraw/zinc/92/01/64/1094920164.db2.gz OMVUYOFXZJTXQQ-MRXNPFEDSA-N 2 1 354.485 4.096 20 0 FIADMP C[N@H+](Cc1ccc(-c2nc3ccccc3s2)o1)CC1CC[NH+](C)CC1 ZINC000513730097 1095101839 /nfs/dbraw/zinc/10/18/39/1095101839.db2.gz VHPVPYOBBQZFNS-UHFFFAOYSA-N 2 1 355.507 4.330 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935631 1095175350 /nfs/dbraw/zinc/17/53/50/1095175350.db2.gz MIIVLIYZVNFUSL-MAODMQOUSA-N 2 1 358.913 4.177 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935631 1095175355 /nfs/dbraw/zinc/17/53/55/1095175355.db2.gz MIIVLIYZVNFUSL-MAODMQOUSA-N 2 1 358.913 4.177 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000502282633 1095304796 /nfs/dbraw/zinc/30/47/96/1095304796.db2.gz OJYBICSKGRBHDW-HKUYNNGSSA-N 2 1 362.558 4.045 20 0 FIADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502324953 1095350722 /nfs/dbraw/zinc/35/07/22/1095350722.db2.gz GXJVJJJDMLUVAJ-QBUQCISBSA-N 2 1 351.494 4.121 20 0 FIADMP Cc1nccn1CCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280978470 1095466449 /nfs/dbraw/zinc/46/64/49/1095466449.db2.gz LAQFSOFTPVYHGS-UHFFFAOYSA-N 2 1 354.542 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000280978470 1095466464 /nfs/dbraw/zinc/46/64/64/1095466464.db2.gz LAQFSOFTPVYHGS-UHFFFAOYSA-N 3 1 354.542 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280978470 1095466483 /nfs/dbraw/zinc/46/64/83/1095466483.db2.gz LAQFSOFTPVYHGS-UHFFFAOYSA-N 3 1 354.542 4.005 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000502469990 1095497879 /nfs/dbraw/zinc/49/78/79/1095497879.db2.gz DMCSBZQJLXXDDZ-FHWLQOOXSA-N 2 1 374.569 4.186 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)CCO1 ZINC000421326344 1095524867 /nfs/dbraw/zinc/52/48/67/1095524867.db2.gz NQCPXTVLZLKCPO-GOSISDBHSA-N 2 1 350.506 4.075 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)CCO1 ZINC000421326344 1095524877 /nfs/dbraw/zinc/52/48/77/1095524877.db2.gz NQCPXTVLZLKCPO-GOSISDBHSA-N 2 1 350.506 4.075 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421337386 1095552571 /nfs/dbraw/zinc/55/25/71/1095552571.db2.gz YXKPZFBITNHAOG-IRLDBZIGSA-N 2 1 364.537 4.382 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000421337386 1095552579 /nfs/dbraw/zinc/55/25/79/1095552579.db2.gz YXKPZFBITNHAOG-IRLDBZIGSA-N 2 1 364.537 4.382 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000502688443 1095700594 /nfs/dbraw/zinc/70/05/94/1095700594.db2.gz ZFDGCWVABCJIRB-ZIFCJYIRSA-N 2 1 354.542 4.057 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1C ZINC000502688443 1095700606 /nfs/dbraw/zinc/70/06/06/1095700606.db2.gz ZFDGCWVABCJIRB-ZIFCJYIRSA-N 2 1 354.542 4.057 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000502771303 1095799143 /nfs/dbraw/zinc/79/91/43/1095799143.db2.gz VKGKUHVJQAIXQX-AWEZNQCLSA-N 2 1 362.315 4.181 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000502771303 1095799151 /nfs/dbraw/zinc/79/91/51/1095799151.db2.gz VKGKUHVJQAIXQX-AWEZNQCLSA-N 2 1 362.315 4.181 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000503075849 1096051657 /nfs/dbraw/zinc/05/16/57/1096051657.db2.gz RHHFBBMSGUWSRR-UHFFFAOYSA-N 2 1 356.695 4.130 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000503075849 1096051667 /nfs/dbraw/zinc/05/16/67/1096051667.db2.gz RHHFBBMSGUWSRR-UHFFFAOYSA-N 2 1 356.695 4.130 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000503075363 1096052471 /nfs/dbraw/zinc/05/24/71/1096052471.db2.gz OXQBDWMZIZDHML-UHFFFAOYSA-N 2 1 356.695 4.130 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000503075363 1096052483 /nfs/dbraw/zinc/05/24/83/1096052483.db2.gz OXQBDWMZIZDHML-UHFFFAOYSA-N 2 1 356.695 4.130 20 0 FIADMP c1cc2c(cccc2CC[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000503123196 1096075779 /nfs/dbraw/zinc/07/57/79/1096075779.db2.gz RJJXXAANOCTCBZ-FJIJXJHWSA-N 2 1 359.517 4.211 20 0 FIADMP c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000503123198 1096075871 /nfs/dbraw/zinc/07/58/71/1096075871.db2.gz RJJXXAANOCTCBZ-ODGPQVTHSA-N 2 1 359.517 4.211 20 0 FIADMP CSc1ccc(OCC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503433914 1096398673 /nfs/dbraw/zinc/39/86/73/1096398673.db2.gz JKSITEHFVBZHDM-QGZVFWFLSA-N 2 1 371.550 4.200 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422698031 1096454576 /nfs/dbraw/zinc/45/45/76/1096454576.db2.gz XHRHYODOBHRUDG-ROUUACIJSA-N 2 1 355.482 4.022 20 0 FIADMP CC[C@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000503591391 1096487408 /nfs/dbraw/zinc/48/74/08/1096487408.db2.gz HRQVRWZBSCYLIL-NQIIRXRSSA-N 2 1 356.510 4.206 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000422761318 1096490756 /nfs/dbraw/zinc/49/07/56/1096490756.db2.gz RBRMZYQUFKOYNV-GMVOTWDCSA-N 2 1 360.860 4.386 20 0 FIADMP FC(F)Oc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422763025 1096491370 /nfs/dbraw/zinc/49/13/70/1096491370.db2.gz IRNNXVDSTKTANE-NHJHPMQKSA-N 2 1 358.432 4.250 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886582 1096514078 /nfs/dbraw/zinc/51/40/78/1096514078.db2.gz XCCPQPFGSMQNBW-QZTJIDSGSA-N 3 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422886582 1096514083 /nfs/dbraw/zinc/51/40/83/1096514083.db2.gz XCCPQPFGSMQNBW-QZTJIDSGSA-N 2 1 366.553 4.074 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886582 1096514090 /nfs/dbraw/zinc/51/40/90/1096514090.db2.gz XCCPQPFGSMQNBW-QZTJIDSGSA-N 2 1 366.553 4.074 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12)c1c[nH+]ccc1N ZINC000422935772 1096528872 /nfs/dbraw/zinc/52/88/72/1096528872.db2.gz DPIPOESGJLJDOA-LJVMPUBVSA-N 2 1 355.485 4.442 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000414710537 1096545856 /nfs/dbraw/zinc/54/58/56/1096545856.db2.gz LIYDLFVWBOQGGC-PKOBYXMFSA-N 2 1 372.557 4.090 20 0 FIADMP Clc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)s1 ZINC000422999006 1096547033 /nfs/dbraw/zinc/54/70/33/1096547033.db2.gz XKZPGAGOINAEAZ-CXAGYDPISA-N 2 1 369.317 4.400 20 0 FIADMP CCC([NH3+])(CC)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414711149 1096548407 /nfs/dbraw/zinc/54/84/07/1096548407.db2.gz MCMKPEVDSRDUGR-UHFFFAOYSA-N 2 1 360.546 4.090 20 0 FIADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000423035781 1096555814 /nfs/dbraw/zinc/55/58/14/1096555814.db2.gz KEULWUJUNOUEQR-OUJBWJOFSA-N 2 1 353.226 4.158 20 0 FIADMP FC(F)(F)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423066521 1096561857 /nfs/dbraw/zinc/56/18/57/1096561857.db2.gz WWSNGHAHJHOZOI-KGLIPLIRSA-N 2 1 354.338 4.431 20 0 FIADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423052672 1096565098 /nfs/dbraw/zinc/56/50/98/1096565098.db2.gz RBDKZQCXJQREKU-COXVUDFISA-N 2 1 359.514 4.304 20 0 FIADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423097920 1096574086 /nfs/dbraw/zinc/57/40/86/1096574086.db2.gz RMZDRZSRGQKPDM-JRJVTICQSA-N 2 1 362.439 4.500 20 0 FIADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122102 1096578890 /nfs/dbraw/zinc/57/88/90/1096578890.db2.gz KESWBENDVBKENL-SLFFLAALSA-N 2 1 362.439 4.491 20 0 FIADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1F ZINC000423112687 1096585956 /nfs/dbraw/zinc/58/59/56/1096585956.db2.gz JZRZVCWJWGNFQO-ANTGDGSKSA-N 2 1 354.469 4.163 20 0 FIADMP C[C@@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000423147124 1096586644 /nfs/dbraw/zinc/58/66/44/1096586644.db2.gz RBRMZYQUFKOYNV-CFSSXQINSA-N 2 1 360.860 4.386 20 0 FIADMP Cc1ncsc1C[N@@H+](CCc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000414721413 1096597672 /nfs/dbraw/zinc/59/76/72/1096597672.db2.gz CAYNUSSRZDMLQE-LJQANCHMSA-N 2 1 357.567 4.229 20 0 FIADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423173132 1096603091 /nfs/dbraw/zinc/60/30/91/1096603091.db2.gz XAZHKFIUQPAHQM-AEGPPILISA-N 2 1 357.723 4.113 20 0 FIADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187040 1096609740 /nfs/dbraw/zinc/60/97/40/1096609740.db2.gz LQFPKVLZFXYURM-GOSISDBHSA-N 2 1 364.537 4.389 20 0 FIADMP COc1ccccc1[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423190853 1096611833 /nfs/dbraw/zinc/61/18/33/1096611833.db2.gz RSYRZFNJPMPYAD-QFIPXVFZSA-N 2 1 353.510 4.091 20 0 FIADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Br)c1 ZINC000423190226 1096612529 /nfs/dbraw/zinc/61/25/29/1096612529.db2.gz QPYLJMLDJCGOEV-GOSISDBHSA-N 2 1 362.315 4.065 20 0 FIADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1F ZINC000423193577 1096612999 /nfs/dbraw/zinc/61/29/99/1096612999.db2.gz XHTHWWHFDTWMFJ-TZIWHRDSSA-N 2 1 371.500 4.025 20 0 FIADMP C[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000423222890 1096622691 /nfs/dbraw/zinc/62/26/91/1096622691.db2.gz DCAYFIDKZPKHOC-YVEFUNNKSA-N 2 1 351.263 4.005 20 0 FIADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000423322789 1096643643 /nfs/dbraw/zinc/64/36/43/1096643643.db2.gz GZVFKPZAJJYLBF-GZAPNMDCSA-N 2 1 372.553 4.001 20 0 FIADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298610 1096644535 /nfs/dbraw/zinc/64/45/35/1096644535.db2.gz OTPPVXRSFRUNBR-ZWKOTPCHSA-N 2 1 369.347 4.024 20 0 FIADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000423344880 1096646458 /nfs/dbraw/zinc/64/64/58/1096646458.db2.gz XDVDZCDARIVEIS-IRXDYDNUSA-N 2 1 351.494 4.333 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423397681 1096666039 /nfs/dbraw/zinc/66/60/39/1096666039.db2.gz OJAGICSHNGOFOV-NIKGAXFTSA-N 2 1 359.311 4.126 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000423496479 1096707993 /nfs/dbraw/zinc/70/79/93/1096707993.db2.gz DZAKSCRMHTZYSN-LAUBAEHRSA-N 2 1 363.509 4.015 20 0 FIADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423519488 1096712090 /nfs/dbraw/zinc/71/20/90/1096712090.db2.gz PUXRYJYHWWBYTA-QHGAOEGBSA-N 2 1 361.599 4.054 20 0 FIADMP [NH3+]CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423518627 1096712124 /nfs/dbraw/zinc/71/21/24/1096712124.db2.gz PFLOXMMJLDLOSJ-UEQSERJNSA-N 3 1 363.549 4.252 20 0 FIADMP [NH3+]CCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000423518627 1096712127 /nfs/dbraw/zinc/71/21/27/1096712127.db2.gz PFLOXMMJLDLOSJ-UEQSERJNSA-N 2 1 363.549 4.252 20 0 FIADMP CC(C)N(C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000515518345 1098656852 /nfs/dbraw/zinc/65/68/52/1098656852.db2.gz GBVMETATKKGWLA-UXHICEINSA-N 2 1 373.585 4.042 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436267449 1098862884 /nfs/dbraw/zinc/86/28/84/1098862884.db2.gz CQVQFTSTSUPBJA-UHFFFAOYSA-N 2 1 351.469 4.370 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309929 1098945846 /nfs/dbraw/zinc/94/58/46/1098945846.db2.gz GTOKMHSWBWKSFH-UKRRQHHQSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309929 1098945854 /nfs/dbraw/zinc/94/58/54/1098945854.db2.gz GTOKMHSWBWKSFH-UKRRQHHQSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309929 1098945856 /nfs/dbraw/zinc/94/58/56/1098945856.db2.gz GTOKMHSWBWKSFH-UKRRQHHQSA-N 2 1 372.340 4.127 20 0 FIADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167961705 1099596300 /nfs/dbraw/zinc/59/63/00/1099596300.db2.gz NJEVBVIDJBWSID-SEJPIABJSA-N 2 1 370.537 4.137 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000516689869 1099727656 /nfs/dbraw/zinc/72/76/56/1099727656.db2.gz LLWBASXNKNNBFG-PUYZDKHRSA-N 2 1 350.453 4.296 20 0 FIADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000516773625 1099790192 /nfs/dbraw/zinc/79/01/92/1099790192.db2.gz XQEPPPXWPBXTJL-GOSISDBHSA-N 2 1 365.521 4.075 20 0 FIADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693257 1099825899 /nfs/dbraw/zinc/82/58/99/1099825899.db2.gz CQOQVFOKGYJMOR-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693257 1099825906 /nfs/dbraw/zinc/82/59/06/1099825906.db2.gz CQOQVFOKGYJMOR-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508693257 1099825914 /nfs/dbraw/zinc/82/59/14/1099825914.db2.gz CQOQVFOKGYJMOR-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693257 1099825925 /nfs/dbraw/zinc/82/59/25/1099825925.db2.gz CQOQVFOKGYJMOR-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693257 1099825937 /nfs/dbraw/zinc/82/59/37/1099825937.db2.gz CQOQVFOKGYJMOR-ZFGGDYGUSA-N 2 1 365.565 4.007 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694347 1099826022 /nfs/dbraw/zinc/82/60/22/1099826022.db2.gz CPYNMDKYTMWMRC-SIKLNZKXSA-N 2 1 352.522 4.223 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692886 1099826168 /nfs/dbraw/zinc/82/61/68/1099826168.db2.gz BPZUNCCJIVRRJS-QWFCFKBJSA-N 2 1 356.485 4.093 20 0 FIADMP Clc1ccc([C@@H](Cc2cccnc2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000516821831 1099848949 /nfs/dbraw/zinc/84/89/49/1099848949.db2.gz USSLRJLKRSRXCT-OAQYLSRUSA-N 2 1 355.913 4.235 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000508702556 1099855484 /nfs/dbraw/zinc/85/54/84/1099855484.db2.gz ZKXCZHZWMQHWIP-MKWLTTDUSA-N 2 1 358.570 4.470 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896351 /nfs/dbraw/zinc/89/63/51/1099896351.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896374 /nfs/dbraw/zinc/89/63/74/1099896374.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896391 /nfs/dbraw/zinc/89/63/91/1099896391.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896414 /nfs/dbraw/zinc/89/64/14/1099896414.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866863 1099896433 /nfs/dbraw/zinc/89/64/33/1099896433.db2.gz UZUMPINZNKEABM-PKTZIBPZSA-N 2 1 369.597 4.141 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508713225 1099904298 /nfs/dbraw/zinc/90/42/98/1099904298.db2.gz SNXXPCITWGCKPE-SIKLNZKXSA-N 2 1 352.522 4.128 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C(C)(C)c3ccccc3)CC2)oc1C ZINC000162724045 1099976142 /nfs/dbraw/zinc/97/61/42/1099976142.db2.gz FPGXIRUXQMBNAP-LJQANCHMSA-N 2 1 369.553 4.459 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4c3cccc4C)CC2)oc1C ZINC000162730936 1099976153 /nfs/dbraw/zinc/97/61/53/1099976153.db2.gz ORBPYYMPDARBGS-OAQYLSRUSA-N 2 1 353.510 4.089 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)CCC4)CC2)oc1C ZINC000162739093 1099976960 /nfs/dbraw/zinc/97/69/60/1099976960.db2.gz UFWRDSDKGFGUAP-QGZVFWFLSA-N 2 1 367.537 4.343 20 0 FIADMP C[C@H](Nc1ccc(N2CCCC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998734 1099977969 /nfs/dbraw/zinc/97/79/69/1099977969.db2.gz XLSLOKSOUMTZRS-ICSRJNTNSA-N 2 1 350.510 4.004 20 0 FIADMP C[C@@H](Nc1ccc(N2CCCC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998736 1099978566 /nfs/dbraw/zinc/97/85/66/1099978566.db2.gz XLSLOKSOUMTZRS-UYAOXDASSA-N 2 1 350.510 4.004 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459397571 1100122942 /nfs/dbraw/zinc/12/29/42/1100122942.db2.gz WURXRCDRIDNVEY-SFTDATJTSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459397571 1100122954 /nfs/dbraw/zinc/12/29/54/1100122954.db2.gz WURXRCDRIDNVEY-SFTDATJTSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459397571 1100122962 /nfs/dbraw/zinc/12/29/62/1100122962.db2.gz WURXRCDRIDNVEY-SFTDATJTSA-N 2 1 350.506 4.387 20 0 FIADMP CC[N@@H+](Cc1scnc1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000536671930 1100155933 /nfs/dbraw/zinc/15/59/33/1100155933.db2.gz URPQXPRZSOMAEC-UHFFFAOYSA-N 2 1 373.570 4.164 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000459427187 1100164897 /nfs/dbraw/zinc/16/48/97/1100164897.db2.gz ANTJHOCTVMOCHL-UHFFFAOYSA-N 2 1 358.555 4.078 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000536695423 1100196332 /nfs/dbraw/zinc/19/63/32/1100196332.db2.gz BDJOJENUHJIZMC-NRFANRHFSA-N 2 1 374.532 4.189 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000536695423 1100196335 /nfs/dbraw/zinc/19/63/35/1100196335.db2.gz BDJOJENUHJIZMC-NRFANRHFSA-N 2 1 374.532 4.189 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000536695423 1100196341 /nfs/dbraw/zinc/19/63/41/1100196341.db2.gz BDJOJENUHJIZMC-NRFANRHFSA-N 2 1 374.532 4.189 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628415 1100245389 /nfs/dbraw/zinc/24/53/89/1100245389.db2.gz IXHGKJJKKQZJSB-WOIUINJBSA-N 2 1 352.522 4.356 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628415 1100245396 /nfs/dbraw/zinc/24/53/96/1100245396.db2.gz IXHGKJJKKQZJSB-WOIUINJBSA-N 2 1 352.522 4.356 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379643899 1100252551 /nfs/dbraw/zinc/25/25/51/1100252551.db2.gz BOXKCOBFQKNQHJ-HMXCVIKNSA-N 2 1 350.506 4.195 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379643899 1100252564 /nfs/dbraw/zinc/25/25/64/1100252564.db2.gz BOXKCOBFQKNQHJ-HMXCVIKNSA-N 2 1 350.506 4.195 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379650247 1100259290 /nfs/dbraw/zinc/25/92/90/1100259290.db2.gz RGMJKIXBVXBMPS-VQIMIIECSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379650247 1100259300 /nfs/dbraw/zinc/25/93/00/1100259300.db2.gz RGMJKIXBVXBMPS-VQIMIIECSA-N 2 1 360.448 4.431 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641988 1100264106 /nfs/dbraw/zinc/26/41/06/1100264106.db2.gz DQRXOHMWIOJNEL-HCLVMJGWSA-N 2 1 350.506 4.325 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641988 1100264111 /nfs/dbraw/zinc/26/41/11/1100264111.db2.gz DQRXOHMWIOJNEL-HCLVMJGWSA-N 2 1 350.506 4.325 20 0 FIADMP COCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000459534318 1100285602 /nfs/dbraw/zinc/28/56/02/1100285602.db2.gz ZFFPZTBAXHYKDE-GOSISDBHSA-N 2 1 357.325 4.287 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000459589241 1100330692 /nfs/dbraw/zinc/33/06/92/1100330692.db2.gz XYGFOMUQMWDAAY-JOCHJYFZSA-N 2 1 355.570 4.020 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422693219 1100405472 /nfs/dbraw/zinc/40/54/72/1100405472.db2.gz LHZXIXUHINZGMQ-PKOBYXMFSA-N 2 1 369.509 4.140 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000438187912 1100501478 /nfs/dbraw/zinc/50/14/78/1100501478.db2.gz IBMCZEORVHIQFD-CVEARBPZSA-N 2 1 362.480 4.121 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000517571616 1100507238 /nfs/dbraw/zinc/50/72/38/1100507238.db2.gz ZDMOUPQDAGUYSO-XLIONFOSSA-N 2 1 357.542 4.297 20 0 FIADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755147 1100639242 /nfs/dbraw/zinc/63/92/42/1100639242.db2.gz OQBFYLVBMYYJGM-KDOFPFPSSA-N 2 1 351.416 4.455 20 0 FIADMP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755147 1100639243 /nfs/dbraw/zinc/63/92/43/1100639243.db2.gz OQBFYLVBMYYJGM-KDOFPFPSSA-N 2 1 351.416 4.455 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccccc3)CC1)C2 ZINC000426052625 1100740814 /nfs/dbraw/zinc/74/08/14/1100740814.db2.gz YYDGENUXORSFGH-XMSQKQJNSA-N 2 1 364.533 4.368 20 0 FIADMP CCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(Cl)c1OC ZINC000506368158 1100930565 /nfs/dbraw/zinc/93/05/65/1100930565.db2.gz GOIGKQUYGWOHMV-UHFFFAOYSA-N 2 1 354.922 4.052 20 0 FIADMP CCOc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(Cl)c1OC ZINC000506368158 1100930566 /nfs/dbraw/zinc/93/05/66/1100930566.db2.gz GOIGKQUYGWOHMV-UHFFFAOYSA-N 2 1 354.922 4.052 20 0 FIADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414976417 1101096723 /nfs/dbraw/zinc/09/67/23/1101096723.db2.gz PXTUHOPFHZOFJV-ZDUSSCGKSA-N 2 1 354.338 4.202 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322398 1101267260 /nfs/dbraw/zinc/26/72/60/1101267260.db2.gz IQWAKACILAODOG-XNJGSVPQSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322398 1101267267 /nfs/dbraw/zinc/26/72/67/1101267267.db2.gz IQWAKACILAODOG-XNJGSVPQSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024562 1101402607 /nfs/dbraw/zinc/40/26/07/1101402607.db2.gz PVUUPHVVHNLJAW-GHTZIAJQSA-N 2 1 353.510 4.186 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000537164203 1101511772 /nfs/dbraw/zinc/51/17/72/1101511772.db2.gz IJHXNRDHIWMPFZ-HXUWFJFHSA-N 2 1 366.553 4.031 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000537164203 1101511789 /nfs/dbraw/zinc/51/17/89/1101511789.db2.gz IJHXNRDHIWMPFZ-HXUWFJFHSA-N 2 1 366.553 4.031 20 0 FIADMP Cn1cnc2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202877 1101555994 /nfs/dbraw/zinc/55/59/94/1101555994.db2.gz CBPXYUQCRYLGNF-JTHBVZDNSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202877 1101556005 /nfs/dbraw/zinc/55/60/05/1101556005.db2.gz CBPXYUQCRYLGNF-JTHBVZDNSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202877 1101556014 /nfs/dbraw/zinc/55/60/14/1101556014.db2.gz CBPXYUQCRYLGNF-JTHBVZDNSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202877 1101556024 /nfs/dbraw/zinc/55/60/24/1101556024.db2.gz CBPXYUQCRYLGNF-JTHBVZDNSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202877 1101556033 /nfs/dbraw/zinc/55/60/33/1101556033.db2.gz CBPXYUQCRYLGNF-JTHBVZDNSA-N 2 1 374.532 4.060 20 0 FIADMP COc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965660 1101902375 /nfs/dbraw/zinc/90/23/75/1101902375.db2.gz JOGUFHGLWGCJAI-MQVJKMGUSA-N 2 1 368.443 4.209 20 0 FIADMP COc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965660 1101902381 /nfs/dbraw/zinc/90/23/81/1101902381.db2.gz JOGUFHGLWGCJAI-MQVJKMGUSA-N 2 1 368.443 4.209 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2nc3ccc(F)cc3s2)cc1 ZINC000415006659 1101912577 /nfs/dbraw/zinc/91/25/77/1101912577.db2.gz QLKJUQVZHQESIY-PBHICJAKSA-N 2 1 373.472 4.057 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156407 1101971845 /nfs/dbraw/zinc/97/18/45/1101971845.db2.gz QVQYJHUFQDDMFO-REWPJTCUSA-N 2 1 352.522 4.094 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCc1ccccc1 ZINC000398156407 1101971848 /nfs/dbraw/zinc/97/18/48/1101971848.db2.gz QVQYJHUFQDDMFO-REWPJTCUSA-N 2 1 352.522 4.094 20 0 FIADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc2ccccc21 ZINC001167967154 1102274987 /nfs/dbraw/zinc/27/49/87/1102274987.db2.gz DPYHLBNTSAUFCE-UKKFODGLSA-N 2 1 364.533 4.258 20 0 FIADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C(=O)OC)cc1 ZINC000550782927 1102281438 /nfs/dbraw/zinc/28/14/38/1102281438.db2.gz BSDWOKIBEAJXAY-LRQRDZAKSA-N 2 1 358.526 4.167 20 0 FIADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000532442269 1102328269 /nfs/dbraw/zinc/32/82/69/1102328269.db2.gz GLBKPHOHMWADFJ-SJLPKXTDSA-N 2 1 369.534 4.134 20 0 FIADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000532441920 1102330587 /nfs/dbraw/zinc/33/05/87/1102330587.db2.gz LFIMDDBNRNAHRN-YJBOKZPZSA-N 2 1 363.958 4.041 20 0 FIADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000532442568 1102331611 /nfs/dbraw/zinc/33/16/11/1102331611.db2.gz JZTWBOVUZLCYBM-OALUTQOASA-N 2 1 352.522 4.441 20 0 FIADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC001204742765 1102342901 /nfs/dbraw/zinc/34/29/01/1102342901.db2.gz UAZLBRSBLQNXOL-UHFFFAOYSA-N 2 1 356.432 4.070 20 0 FIADMP Cc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969258 1102366498 /nfs/dbraw/zinc/36/64/98/1102366498.db2.gz AVPDWGLZIFBRCO-YQQQUEKLSA-N 2 1 363.343 4.253 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000532475951 1102411728 /nfs/dbraw/zinc/41/17/28/1102411728.db2.gz UAKWZDPDWUTKAG-QFIPXVFZSA-N 2 1 372.940 4.324 20 0 FIADMP Fc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)c1 ZINC001167971240 1102439899 /nfs/dbraw/zinc/43/98/99/1102439899.db2.gz UQKAFVBGCSZKRS-GLCCWIKHSA-N 2 1 372.528 4.288 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCOc2ccc(F)cc2F)cc1 ZINC000532550255 1102464177 /nfs/dbraw/zinc/46/41/77/1102464177.db2.gz ZXPHYJJNNGIQFQ-AWEZNQCLSA-N 2 1 357.404 4.189 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303780540 1102563361 /nfs/dbraw/zinc/56/33/61/1102563361.db2.gz SJKKGLBIQOYKQA-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303780540 1102563371 /nfs/dbraw/zinc/56/33/71/1102563371.db2.gz SJKKGLBIQOYKQA-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780540 1102563381 /nfs/dbraw/zinc/56/33/81/1102563381.db2.gz SJKKGLBIQOYKQA-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780540 1102563386 /nfs/dbraw/zinc/56/33/86/1102563386.db2.gz SJKKGLBIQOYKQA-YKSBVNFPSA-N 2 1 374.532 4.357 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000550857775 1102564674 /nfs/dbraw/zinc/56/46/74/1102564674.db2.gz YKGNRTLNMINQTG-AWEZNQCLSA-N 2 1 374.410 4.488 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000532629047 1102605441 /nfs/dbraw/zinc/60/54/41/1102605441.db2.gz JJAXYCAJXWPYBC-ZDUSSCGKSA-N 2 1 357.311 4.359 20 0 FIADMP Cc1nnc([C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835593 1102647923 /nfs/dbraw/zinc/64/79/23/1102647923.db2.gz DIIMKLCQIXXSLW-UZLBHIALSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1nnc([C@@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664835593 1102647931 /nfs/dbraw/zinc/64/79/31/1102647931.db2.gz DIIMKLCQIXXSLW-UZLBHIALSA-N 2 1 368.525 4.062 20 0 FIADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886439 1102658312 /nfs/dbraw/zinc/65/83/12/1102658312.db2.gz PDTVVMMAYCVIDK-RJGXRXQPSA-N 2 1 370.581 4.330 20 0 FIADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550886442 1102658667 /nfs/dbraw/zinc/65/86/67/1102658667.db2.gz PDTVVMMAYCVIDK-VJBWXMMDSA-N 2 1 370.581 4.330 20 0 FIADMP CC[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000666657043 1102675690 /nfs/dbraw/zinc/67/56/90/1102675690.db2.gz KSJBPMYHIWELGI-FXAWDEMLSA-N 2 1 372.557 4.042 20 0 FIADMP Cc1noc([C@H](C)[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835915 1102689593 /nfs/dbraw/zinc/68/95/93/1102689593.db2.gz HSCPYPWLQFYUCG-JXFKEZNVSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1noc([C@H](C)[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835915 1102689597 /nfs/dbraw/zinc/68/95/97/1102689597.db2.gz HSCPYPWLQFYUCG-JXFKEZNVSA-N 2 1 368.525 4.062 20 0 FIADMP c1ccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)nc1 ZINC001167978566 1102745623 /nfs/dbraw/zinc/74/56/23/1102745623.db2.gz PDGLSOJZQAAWTD-SEJPIABJSA-N 2 1 363.505 4.369 20 0 FIADMP CC[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661254 1102785376 /nfs/dbraw/zinc/78/53/76/1102785376.db2.gz NLFDKBFPMDBWHY-OAQYLSRUSA-N 2 1 362.517 4.306 20 0 FIADMP CC[N@H+](CC1=Cc2ccccc2OC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661254 1102785389 /nfs/dbraw/zinc/78/53/89/1102785389.db2.gz NLFDKBFPMDBWHY-OAQYLSRUSA-N 2 1 362.517 4.306 20 0 FIADMP CC[NH+](CC1=Cc2ccccc2OC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661254 1102785397 /nfs/dbraw/zinc/78/53/97/1102785397.db2.gz NLFDKBFPMDBWHY-OAQYLSRUSA-N 2 1 362.517 4.306 20 0 FIADMP CC[NH+](CC1=Cc2ccccc2OC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661254 1102785406 /nfs/dbraw/zinc/78/54/06/1102785406.db2.gz NLFDKBFPMDBWHY-OAQYLSRUSA-N 2 1 362.517 4.306 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551051575 1102864155 /nfs/dbraw/zinc/86/41/55/1102864155.db2.gz RFQSEFCPURWJIC-HJOGWXRNSA-N 2 1 363.549 4.076 20 0 FIADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000551051575 1102864172 /nfs/dbraw/zinc/86/41/72/1102864172.db2.gz RFQSEFCPURWJIC-HJOGWXRNSA-N 2 1 363.549 4.076 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263042 1102884283 /nfs/dbraw/zinc/88/42/83/1102884283.db2.gz TXJDBJUKPQNNND-FCEUIQTBSA-N 2 1 356.554 4.084 20 0 FIADMP CCC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550270764 1102902128 /nfs/dbraw/zinc/90/21/28/1102902128.db2.gz BRHBUOCCZNANJB-GTMAMOSYSA-N 2 1 370.581 4.474 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679961 1103042651 /nfs/dbraw/zinc/04/26/51/1103042651.db2.gz SJTAOMYWRGFNGH-GOSISDBHSA-N 2 1 370.562 4.463 20 0 FIADMP CC1(C)Cc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679961 1103042668 /nfs/dbraw/zinc/04/26/68/1103042668.db2.gz SJTAOMYWRGFNGH-GOSISDBHSA-N 2 1 370.562 4.463 20 0 FIADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](O)Cc1ccccc1 ZINC000551316881 1103073883 /nfs/dbraw/zinc/07/38/83/1103073883.db2.gz NVQNQYWHZUNPAX-OIULLBJASA-N 2 1 366.549 4.011 20 0 FIADMP Cc1nc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)sc1C ZINC000551316503 1103074973 /nfs/dbraw/zinc/07/49/73/1103074973.db2.gz HTFUZNOHKLFLSO-UHFFFAOYSA-N 2 1 357.567 4.335 20 0 FIADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000532721059 1103112388 /nfs/dbraw/zinc/11/23/88/1103112388.db2.gz RXBFLGLBPBNDIN-TZIWHRDSSA-N 2 1 374.488 4.278 20 0 FIADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000532721059 1103112395 /nfs/dbraw/zinc/11/23/95/1103112395.db2.gz RXBFLGLBPBNDIN-TZIWHRDSSA-N 2 1 374.488 4.278 20 0 FIADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650660 1103307671 /nfs/dbraw/zinc/30/76/71/1103307671.db2.gz CMPJZFCDBDQCAE-DOVSJBTNSA-N 2 1 353.510 4.180 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(C)o1 ZINC000507452918 1103398732 /nfs/dbraw/zinc/39/87/32/1103398732.db2.gz YPDGBRPHSZQEMA-MBDNFAEBSA-N 2 1 368.521 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(C)o1 ZINC000507452918 1103398749 /nfs/dbraw/zinc/39/87/49/1103398749.db2.gz YPDGBRPHSZQEMA-MBDNFAEBSA-N 2 1 368.521 4.166 20 0 FIADMP CCc1cccnc1[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000507481388 1103425552 /nfs/dbraw/zinc/42/55/52/1103425552.db2.gz CRUAUDXMGTYCMH-QRVBRYPASA-N 2 1 351.538 4.451 20 0 FIADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000551779176 1103627473 /nfs/dbraw/zinc/62/74/73/1103627473.db2.gz RJQALZFIFKYGJI-PEVILPJXSA-N 2 1 364.533 4.299 20 0 FIADMP Cc1[nH+]ccn1CC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440512638 1103746790 /nfs/dbraw/zinc/74/67/90/1103746790.db2.gz BGXHLRZYNDLALW-UHFFFAOYSA-N 2 1 362.315 4.008 20 0 FIADMP FC(F)(F)c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)[nH]n1 ZINC000440826663 1103975118 /nfs/dbraw/zinc/97/51/18/1103975118.db2.gz VFHAEVZFUPMTGJ-UHFFFAOYSA-N 2 1 366.431 4.094 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266194 1104071804 /nfs/dbraw/zinc/07/18/04/1104071804.db2.gz WBWVHUCLJZDSKX-PMACEKPBSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266194 1104071816 /nfs/dbraw/zinc/07/18/16/1104071816.db2.gz WBWVHUCLJZDSKX-PMACEKPBSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266194 1104071828 /nfs/dbraw/zinc/07/18/28/1104071828.db2.gz WBWVHUCLJZDSKX-PMACEKPBSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266194 1104071840 /nfs/dbraw/zinc/07/18/40/1104071840.db2.gz WBWVHUCLJZDSKX-PMACEKPBSA-N 2 1 366.553 4.174 20 0 FIADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073337 1104116281 /nfs/dbraw/zinc/11/62/81/1104116281.db2.gz XETKXQJJCXJKGX-KGLIPLIRSA-N 2 1 361.477 4.216 20 0 FIADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073337 1104116286 /nfs/dbraw/zinc/11/62/86/1104116286.db2.gz XETKXQJJCXJKGX-KGLIPLIRSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073337 1104116293 /nfs/dbraw/zinc/11/62/93/1104116293.db2.gz XETKXQJJCXJKGX-KGLIPLIRSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441073337 1104116298 /nfs/dbraw/zinc/11/62/98/1104116298.db2.gz XETKXQJJCXJKGX-KGLIPLIRSA-N 2 1 361.477 4.216 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCSc1ccccc1Cl ZINC000441201923 1104195651 /nfs/dbraw/zinc/19/56/51/1104195651.db2.gz FRZMIDHCFUCRDJ-NJAFHUGGSA-N 2 1 368.974 4.006 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000520307056 1104242907 /nfs/dbraw/zinc/24/29/07/1104242907.db2.gz UMOOQDSAOIGWFV-HXUWFJFHSA-N 2 1 373.928 4.423 20 0 FIADMP Clc1ccc(SCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397534 1104330786 /nfs/dbraw/zinc/33/07/86/1104330786.db2.gz WSNYSMXVGLJFSA-KXBFYZLASA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397534 1104330795 /nfs/dbraw/zinc/33/07/95/1104330795.db2.gz WSNYSMXVGLJFSA-KXBFYZLASA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397534 1104330806 /nfs/dbraw/zinc/33/08/06/1104330806.db2.gz WSNYSMXVGLJFSA-KXBFYZLASA-N 2 1 350.959 4.381 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000112524921 1104374423 /nfs/dbraw/zinc/37/44/23/1104374423.db2.gz XAEMHGDTPWASBH-KSZLIROESA-N 2 1 356.485 4.286 20 0 FIADMP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976681 1104484026 /nfs/dbraw/zinc/48/40/26/1104484026.db2.gz RZXJLUBFSBBHOK-IAGOWNOFSA-N 2 1 359.901 4.207 20 0 FIADMP c1ccc(C[NH+](C2CCOCC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167995384 1104498283 /nfs/dbraw/zinc/49/82/83/1104498283.db2.gz DAEYUEBAPHQSRO-AIZNXBIQSA-N 2 1 354.538 4.073 20 0 FIADMP c1ccc(C[N@H+](C2CCOCC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995384 1104498288 /nfs/dbraw/zinc/49/82/88/1104498288.db2.gz DAEYUEBAPHQSRO-AIZNXBIQSA-N 2 1 354.538 4.073 20 0 FIADMP c1ccc(C[N@@H+](C2CCOCC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995384 1104498293 /nfs/dbraw/zinc/49/82/93/1104498293.db2.gz DAEYUEBAPHQSRO-AIZNXBIQSA-N 2 1 354.538 4.073 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCC2)cc1 ZINC000427572000 1104727610 /nfs/dbraw/zinc/72/76/10/1104727610.db2.gz FGWSMLIGASZBGD-XMMPIXPASA-N 2 1 364.533 4.458 20 0 FIADMP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000189189462 1104785044 /nfs/dbraw/zinc/78/50/44/1104785044.db2.gz XVZASZKVONEDOQ-FCHUYYIVSA-N 2 1 356.554 4.023 20 0 FIADMP Brc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)s1 ZINC000190589638 1104935208 /nfs/dbraw/zinc/93/52/08/1104935208.db2.gz HCDINSQFUPJFHT-KRWDZBQOSA-N 2 1 369.372 4.426 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000388829656 1105044486 /nfs/dbraw/zinc/04/44/86/1105044486.db2.gz WZJIUXFKGGPFMS-QKLQHJQFSA-N 2 1 356.485 4.396 20 0 FIADMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441629606 1105048497 /nfs/dbraw/zinc/04/84/97/1105048497.db2.gz XFWRRQOHGGAHNO-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1cccc(Cl)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441629606 1105048505 /nfs/dbraw/zinc/04/85/05/1105048505.db2.gz XFWRRQOHGGAHNO-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1cccc(Cl)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441629606 1105048513 /nfs/dbraw/zinc/04/85/13/1105048513.db2.gz XFWRRQOHGGAHNO-LJQANCHMSA-N 2 1 358.913 4.173 20 0 FIADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152371045 1105056869 /nfs/dbraw/zinc/05/68/69/1105056869.db2.gz OQORAKVVXMZLFL-ZFWWWQNUSA-N 2 1 359.514 4.393 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC001168007863 1105145462 /nfs/dbraw/zinc/14/54/62/1105145462.db2.gz VFBSBYKOYFILKT-RMFSNUHRSA-N 2 1 368.521 4.235 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC001168007863 1105145468 /nfs/dbraw/zinc/14/54/68/1105145468.db2.gz VFBSBYKOYFILKT-RMFSNUHRSA-N 2 1 368.521 4.235 20 0 FIADMP CC(C)[NH+]1CCC(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168008172 1105171604 /nfs/dbraw/zinc/17/16/04/1105171604.db2.gz CYAGCHROUWFXSQ-PMACEKPBSA-N 2 1 357.586 4.138 20 0 FIADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCO1 ZINC000507809872 1105176022 /nfs/dbraw/zinc/17/60/22/1105176022.db2.gz FQEQHJPFZFDARW-KAOXLYBCSA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809872 1105176024 /nfs/dbraw/zinc/17/60/24/1105176024.db2.gz FQEQHJPFZFDARW-KAOXLYBCSA-N 2 1 356.554 4.178 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000507809872 1105176029 /nfs/dbraw/zinc/17/60/29/1105176029.db2.gz FQEQHJPFZFDARW-KAOXLYBCSA-N 2 1 356.554 4.178 20 0 FIADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000665193197 1105197070 /nfs/dbraw/zinc/19/70/70/1105197070.db2.gz QDELRDZDTJPSNZ-LJQANCHMSA-N 2 1 372.557 4.057 20 0 FIADMP CCC[NH+]1CC[C@@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000665193197 1105197072 /nfs/dbraw/zinc/19/70/72/1105197072.db2.gz QDELRDZDTJPSNZ-LJQANCHMSA-N 2 1 372.557 4.057 20 0 FIADMP CCC[NH+]1CC[C@@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000665193197 1105197075 /nfs/dbraw/zinc/19/70/75/1105197075.db2.gz QDELRDZDTJPSNZ-LJQANCHMSA-N 2 1 372.557 4.057 20 0 FIADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3-c3ccnn3C)C2)CC1 ZINC000507834268 1105240954 /nfs/dbraw/zinc/24/09/54/1105240954.db2.gz SIBUYRQZOQMPDJ-FQEVSTJZSA-N 2 1 366.553 4.031 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508204653 1105358276 /nfs/dbraw/zinc/35/82/76/1105358276.db2.gz IHDBRZNQAMWRHO-YRXWBPOGSA-N 2 1 357.542 4.118 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508204653 1105358285 /nfs/dbraw/zinc/35/82/85/1105358285.db2.gz IHDBRZNQAMWRHO-YRXWBPOGSA-N 2 1 357.542 4.118 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000508204653 1105358294 /nfs/dbraw/zinc/35/82/94/1105358294.db2.gz IHDBRZNQAMWRHO-YRXWBPOGSA-N 2 1 357.542 4.118 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301388885 1107014196 /nfs/dbraw/zinc/01/41/96/1107014196.db2.gz XSLMAMCRPJDLOV-MRXNPFEDSA-N 2 1 374.326 4.452 20 0 FIADMP C[C@@H]([NH2+]CCc1ccccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530513408 1107105749 /nfs/dbraw/zinc/10/57/49/1107105749.db2.gz WAZSFDIVKLHGFQ-YLJYHZDGSA-N 2 1 374.475 4.331 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530544688 1107127283 /nfs/dbraw/zinc/12/72/83/1107127283.db2.gz UQUPTBAOKNHDNC-RCZSKKKRSA-N 2 1 350.506 4.319 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530544686 1107127348 /nfs/dbraw/zinc/12/73/48/1107127348.db2.gz UQUPTBAOKNHDNC-CZTZKLFOSA-N 2 1 350.506 4.319 20 0 FIADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434191 1107452492 /nfs/dbraw/zinc/45/24/92/1107452492.db2.gz KZVGBAQAQQCUGX-MBSDFSHPSA-N 2 1 368.496 4.192 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(Cl)nc1 ZINC000179100494 1107792003 /nfs/dbraw/zinc/79/20/03/1107792003.db2.gz NULCRIUVBQRAEB-BBWFWOEESA-N 2 1 373.928 4.195 20 0 FIADMP COc1ccc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000237315166 1107793349 /nfs/dbraw/zinc/79/33/49/1107793349.db2.gz JGRFLQCGXBFEPU-KRWDZBQOSA-N 2 1 356.485 4.192 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000444625259 1108036455 /nfs/dbraw/zinc/03/64/55/1108036455.db2.gz ZJPNZPIZSVZRNZ-UHFFFAOYSA-N 2 1 374.504 4.210 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444640094 1108058654 /nfs/dbraw/zinc/05/86/54/1108058654.db2.gz MZVMTRBELFDHJM-SFHVURJKSA-N 2 1 365.587 4.124 20 0 FIADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000444640094 1108058670 /nfs/dbraw/zinc/05/86/70/1108058670.db2.gz MZVMTRBELFDHJM-SFHVURJKSA-N 2 1 365.587 4.124 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000121486581 1108084215 /nfs/dbraw/zinc/08/42/15/1108084215.db2.gz ZNOGSHWFZNZOML-UHFFFAOYSA-N 2 1 359.558 4.192 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000121486581 1108084230 /nfs/dbraw/zinc/08/42/30/1108084230.db2.gz ZNOGSHWFZNZOML-UHFFFAOYSA-N 2 1 359.558 4.192 20 0 FIADMP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2sccc21 ZINC000453072609 1108126125 /nfs/dbraw/zinc/12/61/25/1108126125.db2.gz DUWLQVSWNAXDSB-JXFKEZNVSA-N 2 1 356.535 4.309 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062876 1108141062 /nfs/dbraw/zinc/14/10/62/1108141062.db2.gz QVGIAVYCTOMAGW-YLJYHZDGSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453062876 1108141065 /nfs/dbraw/zinc/14/10/65/1108141065.db2.gz QVGIAVYCTOMAGW-YLJYHZDGSA-N 2 1 374.960 4.407 20 0 FIADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000453077263 1108149388 /nfs/dbraw/zinc/14/93/88/1108149388.db2.gz XXGBDIOSICNDLT-LJQANCHMSA-N 2 1 374.569 4.125 20 0 FIADMP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2sccc21 ZINC000453101476 1108168999 /nfs/dbraw/zinc/16/89/99/1108168999.db2.gz YFIOUFINVYZKQV-JXFKEZNVSA-N 2 1 356.535 4.309 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)c1 ZINC000453112016 1108179380 /nfs/dbraw/zinc/17/93/80/1108179380.db2.gz SJNBCNKBWMXDFE-SFHVURJKSA-N 2 1 362.521 4.390 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453139563 1108213519 /nfs/dbraw/zinc/21/35/19/1108213519.db2.gz RSHKHQMYFOTSGS-MIZPHKNDSA-N 2 1 351.538 4.293 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453139563 1108213526 /nfs/dbraw/zinc/21/35/26/1108213526.db2.gz RSHKHQMYFOTSGS-MIZPHKNDSA-N 2 1 351.538 4.293 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453140920 1108216724 /nfs/dbraw/zinc/21/67/24/1108216724.db2.gz ZTURPJIYYHUWLG-WOJBJXKFSA-N 2 1 361.917 4.005 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453211781 1108283162 /nfs/dbraw/zinc/28/31/62/1108283162.db2.gz OCNRMGNRMQWWOB-KSZLIROESA-N 2 1 352.444 4.362 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H](NC3CC([NH+]4CCCCC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453220878 1108291879 /nfs/dbraw/zinc/29/18/79/1108291879.db2.gz PKMMWUFFTDZDES-ISEXJNJKSA-N 2 1 367.581 4.036 20 0 FIADMP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453229984 1108304658 /nfs/dbraw/zinc/30/46/58/1108304658.db2.gz PLUJAIGXIQFFIN-CPLYBDICSA-N 2 1 352.444 4.360 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453250522 1108323988 /nfs/dbraw/zinc/32/39/88/1108323988.db2.gz ZFJLIPRCLBNTNL-VLCRHTCISA-N 2 1 353.510 4.078 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453250522 1108324002 /nfs/dbraw/zinc/32/40/02/1108324002.db2.gz ZFJLIPRCLBNTNL-VLCRHTCISA-N 2 1 353.510 4.078 20 0 FIADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453265154 1108338740 /nfs/dbraw/zinc/33/87/40/1108338740.db2.gz XHKSGOWZOVSTHT-MKXGPGLRSA-N 2 1 370.459 4.129 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000531936105 1108410336 /nfs/dbraw/zinc/41/03/36/1108410336.db2.gz CMRLWPBPUARYKA-RTBURBONSA-N 2 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000531936105 1108410345 /nfs/dbraw/zinc/41/03/45/1108410345.db2.gz CMRLWPBPUARYKA-RTBURBONSA-N 3 1 354.542 4.486 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000531936105 1108410352 /nfs/dbraw/zinc/41/03/52/1108410352.db2.gz CMRLWPBPUARYKA-RTBURBONSA-N 3 1 354.542 4.486 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@@]4(CCSC4)C2)C3)cc1 ZINC000453353460 1108452911 /nfs/dbraw/zinc/45/29/11/1108452911.db2.gz JEPVYILWXPZJAY-CIAFKFPVSA-N 2 1 356.579 4.401 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Oc1cccc(C(F)(F)F)c1 ZINC000531979222 1108496932 /nfs/dbraw/zinc/49/69/32/1108496932.db2.gz ZBQHZYLMKRBCMN-GZOSKZMVSA-N 2 1 358.448 4.181 20 0 FIADMP C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453445858 1108539911 /nfs/dbraw/zinc/53/99/11/1108539911.db2.gz ZVPOXAYAMHNDOD-GFOJFJKKSA-N 2 1 370.562 4.468 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000523871565 1108620355 /nfs/dbraw/zinc/62/03/55/1108620355.db2.gz DZUTZHJVXXVARO-INIZCTEOSA-N 2 1 374.326 4.452 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000237601035 1108683679 /nfs/dbraw/zinc/68/36/79/1108683679.db2.gz MPXHXMLAINMSPV-CQSZACIVSA-N 2 1 366.490 4.487 20 0 FIADMP CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2ccccc2)[NH+]2CCCC2)c(O)c1 ZINC000005228418 1108815469 /nfs/dbraw/zinc/81/54/69/1108815469.db2.gz PHKHAKDAINUNQU-PCCDRTMGSA-N 2 1 365.521 4.494 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000524639944 1109101413 /nfs/dbraw/zinc/10/14/13/1109101413.db2.gz AJXZYEJCOHSRLF-JOCHJYFZSA-N 2 1 352.522 4.130 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(C)cc2)C2CCCC2)CC1 ZINC000446752992 1109329702 /nfs/dbraw/zinc/32/97/02/1109329702.db2.gz QTLHBFPSRNNMMB-QHCPKHFHSA-N 2 1 357.586 4.234 20 0 FIADMP C[N@@H+](CC/C=C/c1ccc(Br)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525518129 1109410591 /nfs/dbraw/zinc/41/05/91/1109410591.db2.gz YSCXEGCPAHMOLH-ZNNBYXKUSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C/c1ccc(Br)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000525518129 1109410594 /nfs/dbraw/zinc/41/05/94/1109410594.db2.gz YSCXEGCPAHMOLH-ZNNBYXKUSA-N 2 1 351.332 4.126 20 0 FIADMP C[NH+](CC/C=C/c1ccc(Br)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525518129 1109410597 /nfs/dbraw/zinc/41/05/97/1109410597.db2.gz YSCXEGCPAHMOLH-ZNNBYXKUSA-N 2 1 351.332 4.126 20 0 FIADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000447513575 1109566484 /nfs/dbraw/zinc/56/64/84/1109566484.db2.gz XJJPJEXIMJTSCL-ZEQRLZLVSA-N 2 1 364.533 4.493 20 0 FIADMP Fc1ccccc1NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603298 1109599509 /nfs/dbraw/zinc/59/95/09/1109599509.db2.gz XJQMAFYDVFKXAU-MZADTFQBSA-N 2 1 367.512 4.413 20 0 FIADMP CC(C)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000527883622 1109848838 /nfs/dbraw/zinc/84/88/38/1109848838.db2.gz DLUFUVQCYJGIPZ-JPYJTQIMSA-N 2 1 352.522 4.227 20 0 FIADMP Cn1cc2ccc(C[NH2+]C3CC[NH+](C(C)(C)CC(C)(C)C)CC3)cc2n1 ZINC000527962458 1109876011 /nfs/dbraw/zinc/87/60/11/1109876011.db2.gz MSTCHQITBUSMLC-UHFFFAOYSA-N 2 1 356.558 4.342 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cn1 ZINC000528044864 1109897492 /nfs/dbraw/zinc/89/74/92/1109897492.db2.gz VZSDJAAORDKGNB-FRGLQRNOSA-N 2 1 365.521 4.042 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000449099816 1109975953 /nfs/dbraw/zinc/97/59/53/1109975953.db2.gz VIHBKJYRYPZNBJ-IBGZPJMESA-N 2 1 359.517 4.420 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)CC2)[nH+]1 ZINC000449144927 1109985326 /nfs/dbraw/zinc/98/53/26/1109985326.db2.gz VKGJIJBWSMYHNM-INIZCTEOSA-N 2 1 361.411 4.053 20 0 FIADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343041 1110035031 /nfs/dbraw/zinc/03/50/31/1110035031.db2.gz HFXDGLUAUMKDHU-PZJWPPBQSA-N 2 1 358.570 4.330 20 0 FIADMP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000449346447 1110036443 /nfs/dbraw/zinc/03/64/43/1110036443.db2.gz ZLAKZPSVIBEGQR-OAQYLSRUSA-N 2 1 370.562 4.075 20 0 FIADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000449437460 1110079044 /nfs/dbraw/zinc/07/90/44/1110079044.db2.gz LOTKELWSWHLZPD-PBHICJAKSA-N 2 1 355.448 4.233 20 0 FIADMP CC(C)c1nnc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000450344803 1110285700 /nfs/dbraw/zinc/28/57/00/1110285700.db2.gz IYWBUWPIHCIIBR-UHFFFAOYSA-N 2 1 358.555 4.006 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000538400034 1111116078 /nfs/dbraw/zinc/11/60/78/1111116078.db2.gz BOTYKFFRWIWBRS-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000538400034 1111116080 /nfs/dbraw/zinc/11/60/80/1111116080.db2.gz BOTYKFFRWIWBRS-CQSZACIVSA-N 2 1 363.299 4.141 20 0 FIADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000538406302 1111117970 /nfs/dbraw/zinc/11/79/70/1111117970.db2.gz YKLQOPDWTDHFIH-FQEVSTJZSA-N 2 1 358.570 4.368 20 0 FIADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000538498325 1111160437 /nfs/dbraw/zinc/16/04/37/1111160437.db2.gz WKUNCNNHBHQQJH-OFNKIYASSA-N 2 1 373.585 4.221 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H](O)c1ccccc1 ZINC000721322915 1111180072 /nfs/dbraw/zinc/18/00/72/1111180072.db2.gz GVYYZGAWLLCFHR-VXKWHMMOSA-N 2 1 352.522 4.000 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H](O)c1ccccc1 ZINC000721322915 1111180077 /nfs/dbraw/zinc/18/00/77/1111180077.db2.gz GVYYZGAWLLCFHR-VXKWHMMOSA-N 2 1 352.522 4.000 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1 ZINC000538590569 1111212173 /nfs/dbraw/zinc/21/21/73/1111212173.db2.gz COIDAZZZGMCCMZ-SFHVURJKSA-N 2 1 372.475 4.493 20 0 FIADMP CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000538764143 1111291363 /nfs/dbraw/zinc/29/13/63/1111291363.db2.gz PIDXZDIEHNFCBU-NRFANRHFSA-N 2 1 374.532 4.421 20 0 FIADMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538764143 1111291367 /nfs/dbraw/zinc/29/13/67/1111291367.db2.gz PIDXZDIEHNFCBU-NRFANRHFSA-N 2 1 374.532 4.421 20 0 FIADMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538764143 1111291370 /nfs/dbraw/zinc/29/13/70/1111291370.db2.gz PIDXZDIEHNFCBU-NRFANRHFSA-N 2 1 374.532 4.421 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)cs1 ZINC000538795879 1111294152 /nfs/dbraw/zinc/29/41/52/1111294152.db2.gz BOOIXUMFJGNSGM-HLAWJBBLSA-N 2 1 356.535 4.099 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2Br)[C@@H](C)C1 ZINC000539053397 1111401399 /nfs/dbraw/zinc/40/13/99/1111401399.db2.gz FYAWWTPEQSRAGQ-WMLDXEAASA-N 2 1 353.348 4.047 20 0 FIADMP c1ccc(C2CCC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000539067165 1111416806 /nfs/dbraw/zinc/41/68/06/1111416806.db2.gz BHSYFDUMGZFSHJ-UHFFFAOYSA-N 2 1 356.554 4.338 20 0 FIADMP COc1ccccc1[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000539200475 1111469676 /nfs/dbraw/zinc/46/96/76/1111469676.db2.gz LPMBMDYGSKRVOA-JOCHJYFZSA-N 2 1 372.553 4.161 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000462028647 1111473409 /nfs/dbraw/zinc/47/34/09/1111473409.db2.gz QNAPAWKUCZNKFW-SFHVURJKSA-N 2 1 371.550 4.270 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(C)c1OC ZINC000552048145 1111557543 /nfs/dbraw/zinc/55/75/43/1111557543.db2.gz IUHPFHWUMKGEEL-KRWDZBQOSA-N 2 1 360.542 4.460 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000552048408 1111557557 /nfs/dbraw/zinc/55/75/57/1111557557.db2.gz RITVLYBRTKEXFN-MNMPARFZSA-N 2 1 356.554 4.223 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000552252794 1111644795 /nfs/dbraw/zinc/64/47/95/1111644795.db2.gz XVJGUGLIJBGFAF-ATKRNPRHSA-N 2 1 350.506 4.023 20 0 FIADMP Cc1nc2ccccn2c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552273803 1111654594 /nfs/dbraw/zinc/65/45/94/1111654594.db2.gz SKHUEVFQUXXYJG-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP CC(C)C1CCC([NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000552281377 1111658581 /nfs/dbraw/zinc/65/85/81/1111658581.db2.gz TYLINTIFHVNPSG-KXTRFFEISA-N 2 1 369.597 4.093 20 0 FIADMP CCC[N@@H+](C)[C@H](CNC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000552325374 1111670191 /nfs/dbraw/zinc/67/01/91/1111670191.db2.gz UDAWHMOMADYRRQ-HXUWFJFHSA-N 2 1 351.966 4.185 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000552318321 1111676272 /nfs/dbraw/zinc/67/62/72/1111676272.db2.gz WZDUZUWSZCHQGS-XPGWFJOJSA-N 2 1 350.934 4.128 20 0 FIADMP C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000479356137 1111997679 /nfs/dbraw/zinc/99/76/79/1111997679.db2.gz WCQPHQKXTKQBLA-UGSOOPFHSA-N 2 1 351.332 4.146 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000479336960 1111999094 /nfs/dbraw/zinc/99/90/94/1111999094.db2.gz PPKSONPUOWHSSP-IIDMSEBBSA-N 2 1 367.306 4.256 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000479336960 1111999095 /nfs/dbraw/zinc/99/90/95/1111999095.db2.gz PPKSONPUOWHSSP-IIDMSEBBSA-N 2 1 367.306 4.256 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000667502213 1112049080 /nfs/dbraw/zinc/04/90/80/1112049080.db2.gz XYNUUOYDHMPXHT-UHFFFAOYSA-N 2 1 368.363 4.096 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000667502213 1112049083 /nfs/dbraw/zinc/04/90/83/1112049083.db2.gz XYNUUOYDHMPXHT-UHFFFAOYSA-N 2 1 368.363 4.096 20 0 FIADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000479584707 1112079884 /nfs/dbraw/zinc/07/98/84/1112079884.db2.gz BUOVBJHPXGMKTQ-KRWDZBQOSA-N 2 1 351.560 4.129 20 0 FIADMP C[NH+](C)CCC1CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000553864294 1112114696 /nfs/dbraw/zinc/11/46/96/1112114696.db2.gz TYGHALBAESEBRR-UHFFFAOYSA-N 2 1 350.375 4.147 20 0 FIADMP COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000554049919 1112175654 /nfs/dbraw/zinc/17/56/54/1112175654.db2.gz YDJVFMZEKIRKSW-SJORKVTESA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000554049919 1112175657 /nfs/dbraw/zinc/17/56/57/1112175657.db2.gz YDJVFMZEKIRKSW-SJORKVTESA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(F)cn1 ZINC000554049919 1112175658 /nfs/dbraw/zinc/17/56/58/1112175658.db2.gz YDJVFMZEKIRKSW-SJORKVTESA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(F)cn1 ZINC000554050889 1112176205 /nfs/dbraw/zinc/17/62/05/1112176205.db2.gz XEFBGVLFIQPEHG-IRXDYDNUSA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(F)cn1 ZINC000554050889 1112176209 /nfs/dbraw/zinc/17/62/09/1112176209.db2.gz XEFBGVLFIQPEHG-IRXDYDNUSA-N 2 1 371.500 4.312 20 0 FIADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccccc1OCc1ccccn1 ZINC000479952363 1112212840 /nfs/dbraw/zinc/21/28/40/1112212840.db2.gz CAYHUAITOFYTGB-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccccc1OCc1ccccn1 ZINC000479952363 1112212843 /nfs/dbraw/zinc/21/28/43/1112212843.db2.gz CAYHUAITOFYTGB-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP C[C@H](CCCC(F)(F)F)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000480252436 1112350547 /nfs/dbraw/zinc/35/05/47/1112350547.db2.gz UWUIBEWPSDQYEC-MJGOQNOKSA-N 2 1 371.491 4.076 20 0 FIADMP Fc1cccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccc(F)c2)c1 ZINC000480267300 1112352901 /nfs/dbraw/zinc/35/29/01/1112352901.db2.gz QKTCMLRHKKODLB-JOCHJYFZSA-N 2 1 356.460 4.465 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000480608498 1112499155 /nfs/dbraw/zinc/49/91/55/1112499155.db2.gz LFWQYAJSWPRNDU-CEXWTWQISA-N 2 1 374.573 4.235 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nnn1-c1ccc(C)cc1 ZINC000480612899 1112501054 /nfs/dbraw/zinc/50/10/54/1112501054.db2.gz ODDCVVXQHBKVJU-RBUKOAKNSA-N 2 1 369.557 4.189 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000480604880 1112504977 /nfs/dbraw/zinc/50/49/77/1112504977.db2.gz GCOFDOOYFDFTKW-HZPDHXFCSA-N 2 1 352.494 4.148 20 0 FIADMP CN(C)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1Cl ZINC001168363252 1112505962 /nfs/dbraw/zinc/50/59/62/1112505962.db2.gz XJLUXNTUEGOUJM-LJQANCHMSA-N 2 1 370.368 4.060 20 0 FIADMP C[C@H](C[NH+]1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000480701931 1112562056 /nfs/dbraw/zinc/56/20/56/1112562056.db2.gz VCHTZRKNOSJPNO-SNWXZZBVSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000480755255 1112588156 /nfs/dbraw/zinc/58/81/56/1112588156.db2.gz GNGLXXYPOSAXAS-MJBXVCDLSA-N 2 1 357.325 4.223 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC000480758757 1112589601 /nfs/dbraw/zinc/58/96/01/1112589601.db2.gz OKTFQRIHRBJFOW-QHCPKHFHSA-N 2 1 352.522 4.443 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000480757681 1112589821 /nfs/dbraw/zinc/58/98/21/1112589821.db2.gz LTMRCFMMPGWCGT-RBBKRZOGSA-N 2 1 358.570 4.474 20 0 FIADMP Cc1ccc(C(=O)CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000480854921 1112637944 /nfs/dbraw/zinc/63/79/44/1112637944.db2.gz UZMNTKHRRVQZKV-UHFFFAOYSA-N 2 1 365.521 4.201 20 0 FIADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914693 1112668186 /nfs/dbraw/zinc/66/81/86/1112668186.db2.gz VFOMUZMYYHTFRX-YADARESESA-N 2 1 363.549 4.162 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914692 1112668424 /nfs/dbraw/zinc/66/84/24/1112668424.db2.gz VFOMUZMYYHTFRX-NTKDMRAZSA-N 2 1 363.549 4.162 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccs1 ZINC000480908246 1112672340 /nfs/dbraw/zinc/67/23/40/1112672340.db2.gz HPMVRVDPZVYMHN-NRFANRHFSA-N 2 1 371.594 4.373 20 0 FIADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162866986 1112843023 /nfs/dbraw/zinc/84/30/23/1112843023.db2.gz VQXRRNULMZRFQQ-OWCLPIDISA-N 2 1 367.603 4.289 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000481303880 1112879226 /nfs/dbraw/zinc/87/92/26/1112879226.db2.gz HMWDLGVRMKURLA-JOCHJYFZSA-N 2 1 350.506 4.245 20 0 FIADMP FC(F)(F)Oc1ccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000899874705 1113037661 /nfs/dbraw/zinc/03/76/61/1113037661.db2.gz JFZQEDPRACKMBC-QWHCGFSZSA-N 2 1 351.372 4.172 20 0 FIADMP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000481910019 1113135387 /nfs/dbraw/zinc/13/53/87/1113135387.db2.gz KPHWUEKRYPZSED-QHCPKHFHSA-N 2 1 364.533 4.421 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943030 1113136258 /nfs/dbraw/zinc/13/62/58/1113136258.db2.gz DYASQBIGVUHUCK-BAGYTPMASA-N 2 1 369.553 4.163 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851407 1113144335 /nfs/dbraw/zinc/14/43/35/1113144335.db2.gz GQSJXLIVJHLZKP-QHCPKHFHSA-N 3 1 363.549 4.035 20 0 FIADMP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851407 1113144337 /nfs/dbraw/zinc/14/43/37/1113144337.db2.gz GQSJXLIVJHLZKP-QHCPKHFHSA-N 3 1 363.549 4.035 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114836 1113177858 /nfs/dbraw/zinc/17/78/58/1113177858.db2.gz OSFJOUZEOJQTKB-VGOFRKELSA-N 2 1 365.496 4.350 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114836 1113177862 /nfs/dbraw/zinc/17/78/62/1113177862.db2.gz OSFJOUZEOJQTKB-VGOFRKELSA-N 2 1 365.496 4.350 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC000482128817 1113184153 /nfs/dbraw/zinc/18/41/53/1113184153.db2.gz AXBFMZUAILPIKJ-MSOLQXFVSA-N 2 1 365.587 4.102 20 0 FIADMP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482220798 1113202415 /nfs/dbraw/zinc/20/24/15/1113202415.db2.gz NPJLHWSDVKZDCZ-AUSIDOKSSA-N 2 1 364.533 4.054 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@@H](C)C1 ZINC000482236613 1113206288 /nfs/dbraw/zinc/20/62/88/1113206288.db2.gz ASMMRCJABMSOPW-FXAWDEMLSA-N 2 1 366.977 4.344 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000482355141 1113231703 /nfs/dbraw/zinc/23/17/03/1113231703.db2.gz DVQOHQSPZXJYBE-ZIAGYGMSSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000482355141 1113231708 /nfs/dbraw/zinc/23/17/08/1113231708.db2.gz DVQOHQSPZXJYBE-ZIAGYGMSSA-N 2 1 357.311 4.359 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000482358595 1113231823 /nfs/dbraw/zinc/23/18/23/1113231823.db2.gz MYRHMZJWNRHVBO-MAUKXSAKSA-N 2 1 358.448 4.103 20 0 FIADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000482358595 1113231826 /nfs/dbraw/zinc/23/18/26/1113231826.db2.gz MYRHMZJWNRHVBO-MAUKXSAKSA-N 2 1 358.448 4.103 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1OC ZINC000482433639 1113253275 /nfs/dbraw/zinc/25/32/75/1113253275.db2.gz CWKVAGBFXQDVDK-RBBKRZOGSA-N 2 1 352.522 4.301 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482438999 1113259977 /nfs/dbraw/zinc/25/99/77/1113259977.db2.gz NWLQIUWJEUXNBY-GMAHTHKFSA-N 2 1 364.533 4.363 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000482454240 1113265271 /nfs/dbraw/zinc/26/52/71/1113265271.db2.gz WZHJONFODZVXLX-TZIWHRDSSA-N 2 1 352.547 4.378 20 0 FIADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000482547798 1113293924 /nfs/dbraw/zinc/29/39/24/1113293924.db2.gz AMEINVSNZWDVKF-LJQANCHMSA-N 2 1 372.384 4.452 20 0 FIADMP COc1ccc([C@H](CCC(C)C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000482558157 1113295462 /nfs/dbraw/zinc/29/54/62/1113295462.db2.gz NCYCQILMLXETFR-QFIPXVFZSA-N 2 1 374.569 4.407 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482866610 1113381224 /nfs/dbraw/zinc/38/12/24/1113381224.db2.gz MDSXKEQSFHUWHL-APWZRJJASA-N 2 1 358.551 4.105 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482866613 1113381306 /nfs/dbraw/zinc/38/13/06/1113381306.db2.gz MDSXKEQSFHUWHL-VQIMIIECSA-N 2 1 358.551 4.105 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486535283 1113591299 /nfs/dbraw/zinc/59/12/99/1113591299.db2.gz JBOBSMPTCQVGHJ-XLIONFOSSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486535284 1113591342 /nfs/dbraw/zinc/59/13/42/1113591342.db2.gz JBOBSMPTCQVGHJ-YLJYHZDGSA-N 2 1 374.475 4.331 20 0 FIADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000488427652 1113927763 /nfs/dbraw/zinc/92/77/63/1113927763.db2.gz VINWYCPINMENKB-JZXOWHBKSA-N 2 1 352.613 4.470 20 0 FIADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000488427652 1113927765 /nfs/dbraw/zinc/92/77/65/1113927765.db2.gz VINWYCPINMENKB-JZXOWHBKSA-N 2 1 352.613 4.470 20 0 FIADMP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000488458693 1113931947 /nfs/dbraw/zinc/93/19/47/1113931947.db2.gz KGXMBBXCCKBKAF-AWEZNQCLSA-N 2 1 357.325 4.099 20 0 FIADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000491028745 1114363308 /nfs/dbraw/zinc/36/33/08/1114363308.db2.gz FWEUFDLYQYQERE-DEOSSOPVSA-N 2 1 366.549 4.483 20 0 FIADMP Brc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c2ncccc12 ZINC000491114596 1114372025 /nfs/dbraw/zinc/37/20/25/1114372025.db2.gz VYEZSSOYQVVQDJ-CQSZACIVSA-N 2 1 371.282 4.100 20 0 FIADMP Cc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000570936298 1114416363 /nfs/dbraw/zinc/41/63/63/1114416363.db2.gz YUDQKAFIQRCLBU-UHFFFAOYSA-N 2 1 362.521 4.007 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001212145208 1114421043 /nfs/dbraw/zinc/42/10/43/1114421043.db2.gz NYSCZONKMOBMAK-AWEZNQCLSA-N 2 1 357.285 4.212 20 0 FIADMP c1oc(-c2ccccc2)nc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571211358 1114452684 /nfs/dbraw/zinc/45/26/84/1114452684.db2.gz GGQWAKDEWVJBBD-YADHBBJMSA-N 2 1 373.500 4.296 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000589640738 1114819461 /nfs/dbraw/zinc/81/94/61/1114819461.db2.gz OZHFLCCETZOEHE-GOSISDBHSA-N 2 1 362.521 4.238 20 0 FIADMP c1ccc2sc(C3CC[NH+](C4CC[NH+](CC5CC5)CC4)CC3)nc2c1 ZINC001168393185 1114824854 /nfs/dbraw/zinc/82/48/54/1114824854.db2.gz YXPIROXXOOLAQL-UHFFFAOYSA-N 2 1 355.551 4.350 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000589835374 1114846380 /nfs/dbraw/zinc/84/63/80/1114846380.db2.gz HJJAZSFXLLBYKO-HOTGVXAUSA-N 2 1 358.448 4.085 20 0 FIADMP c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1Cc1ccccc1 ZINC000590611267 1114952929 /nfs/dbraw/zinc/95/29/29/1114952929.db2.gz DTLBNZVGTCDUOR-FQEVSTJZSA-N 2 1 359.517 4.264 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592366014 1115219383 /nfs/dbraw/zinc/21/93/83/1115219383.db2.gz MYJPYWFAZUMABY-FQEVSTJZSA-N 2 1 372.553 4.285 20 0 FIADMP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592366014 1115219384 /nfs/dbraw/zinc/21/93/84/1115219384.db2.gz MYJPYWFAZUMABY-FQEVSTJZSA-N 2 1 372.553 4.285 20 0 FIADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000479872169 1115249763 /nfs/dbraw/zinc/24/97/63/1115249763.db2.gz HIVWGHGDCGTGNS-QZTJIDSGSA-N 2 1 360.546 4.132 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1F ZINC000669679728 1115774512 /nfs/dbraw/zinc/77/45/12/1115774512.db2.gz NTGZFPYPDHEKAU-QGZVFWFLSA-N 2 1 356.485 4.356 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982736 1115775625 /nfs/dbraw/zinc/77/56/25/1115775625.db2.gz YRRRQVYFWIHYPG-ZYSHUDEJSA-N 2 1 358.526 4.019 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982736 1115775632 /nfs/dbraw/zinc/77/56/32/1115775632.db2.gz YRRRQVYFWIHYPG-ZYSHUDEJSA-N 2 1 358.526 4.019 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534059906 1116153665 /nfs/dbraw/zinc/15/36/65/1116153665.db2.gz ZFYMRLDPQQUUCC-ZBEGNZNMSA-N 2 1 357.723 4.021 20 0 FIADMP C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000456291080 1116174697 /nfs/dbraw/zinc/17/46/97/1116174697.db2.gz YRRDKOKWAJUVCL-PMACEKPBSA-N 2 1 371.912 4.130 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4ccc(Cl)cc43)CC2)nc(C)[nH+]1 ZINC000534973653 1116256900 /nfs/dbraw/zinc/25/69/00/1116256900.db2.gz PKDRIJUCNIBKJQ-FQEVSTJZSA-N 2 1 370.928 4.383 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535082818 1116265845 /nfs/dbraw/zinc/26/58/45/1116265845.db2.gz NZULKYQXLHWTMF-UHFFFAOYSA-N 2 1 354.542 4.041 20 0 FIADMP CCN(Cc1cc(OC)cc(C)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000535286134 1116290420 /nfs/dbraw/zinc/29/04/20/1116290420.db2.gz YONXTHZMBJKOJH-GHTZIAJQSA-N 2 1 353.510 4.056 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000535369212 1116299476 /nfs/dbraw/zinc/29/94/76/1116299476.db2.gz JEIXUUCEXZBMTM-YGRLFVJLSA-N 2 1 365.237 4.040 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000535369212 1116299477 /nfs/dbraw/zinc/29/94/77/1116299477.db2.gz JEIXUUCEXZBMTM-YGRLFVJLSA-N 2 1 365.237 4.040 20 0 FIADMP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000539682152 1116364164 /nfs/dbraw/zinc/36/41/64/1116364164.db2.gz JCHIDOGGFMNFLC-YADHBBJMSA-N 2 1 362.533 4.016 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000539821202 1116385956 /nfs/dbraw/zinc/38/59/56/1116385956.db2.gz NFVUUFZRXZRLGC-MAUKXSAKSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000539821202 1116385957 /nfs/dbraw/zinc/38/59/57/1116385957.db2.gz NFVUUFZRXZRLGC-MAUKXSAKSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000539821202 1116385959 /nfs/dbraw/zinc/38/59/59/1116385959.db2.gz NFVUUFZRXZRLGC-MAUKXSAKSA-N 2 1 368.949 4.300 20 0 FIADMP CCCOc1c(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000539821202 1116385960 /nfs/dbraw/zinc/38/59/60/1116385960.db2.gz NFVUUFZRXZRLGC-MAUKXSAKSA-N 2 1 368.949 4.300 20 0 FIADMP CCN(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C ZINC000462688426 1116393459 /nfs/dbraw/zinc/39/34/59/1116393459.db2.gz XCBFRBWMGUFZMO-UHFFFAOYSA-N 2 1 351.538 4.076 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898431 1117740506 /nfs/dbraw/zinc/74/05/06/1117740506.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000539898431 1117740507 /nfs/dbraw/zinc/74/05/07/1117740507.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000539898431 1117740509 /nfs/dbraw/zinc/74/05/09/1117740509.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 2 1 369.597 4.093 20 0 FIADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2ccc(C3CCCC3)cc2)c1 ZINC000462797470 1117769769 /nfs/dbraw/zinc/76/97/69/1117769769.db2.gz FQTFWLPLHHPFRE-UHFFFAOYSA-N 2 1 364.533 4.466 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000462790787 1117773368 /nfs/dbraw/zinc/77/33/68/1117773368.db2.gz IRODZUGIOLTOFM-UHFFFAOYSA-N 2 1 356.485 4.356 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000462789432 1117773514 /nfs/dbraw/zinc/77/35/14/1117773514.db2.gz JWHMMENFGAZQSJ-KRWDZBQOSA-N 2 1 356.485 4.499 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000462790286 1117774087 /nfs/dbraw/zinc/77/40/87/1117774087.db2.gz SXPPBUXRCRCGEI-IEIRFRATSA-N 2 1 356.554 4.144 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804156 1117786501 /nfs/dbraw/zinc/78/65/01/1117786501.db2.gz CVGQDNJELSZTOW-RUEOWNRQSA-N 2 1 351.332 4.013 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462818963 1117794619 /nfs/dbraw/zinc/79/46/19/1117794619.db2.gz RMPPWPGAZDHQSQ-UONOGXRCSA-N 2 1 358.486 4.441 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cc[nH+]c2ccccc12 ZINC000462875456 1117833505 /nfs/dbraw/zinc/83/35/05/1117833505.db2.gz MGPMMLHIRWBRAX-UHFFFAOYSA-N 2 1 357.457 4.494 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000540144547 1117896223 /nfs/dbraw/zinc/89/62/23/1117896223.db2.gz ZMFBSSMJKAGGSS-IRFCIJBXSA-N 2 1 354.542 4.415 20 0 FIADMP C[C@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463086864 1117966006 /nfs/dbraw/zinc/96/60/06/1117966006.db2.gz UGAGQVRQBMZDIA-PGRDOPGGSA-N 2 1 362.533 4.018 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)C[C@@H]1C ZINC000463105733 1117966423 /nfs/dbraw/zinc/96/64/23/1117966423.db2.gz HCRAKCGXIWYQQO-ICSRJNTNSA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@@H]1C ZINC000463105733 1117966425 /nfs/dbraw/zinc/96/64/25/1117966425.db2.gz HCRAKCGXIWYQQO-ICSRJNTNSA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@@H]1C ZINC000463105733 1117966427 /nfs/dbraw/zinc/96/64/27/1117966427.db2.gz HCRAKCGXIWYQQO-ICSRJNTNSA-N 2 1 356.558 4.320 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000463112885 1117969724 /nfs/dbraw/zinc/96/97/24/1117969724.db2.gz WXQAXLJAUFBSIJ-JOCHJYFZSA-N 2 1 368.496 4.336 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463130451 1117976397 /nfs/dbraw/zinc/97/63/97/1117976397.db2.gz WLOUKFLQOMRANR-CNNODRBYSA-N 2 1 352.522 4.269 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463130451 1117976399 /nfs/dbraw/zinc/97/63/99/1117976399.db2.gz WLOUKFLQOMRANR-CNNODRBYSA-N 2 1 352.522 4.269 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147898 1117991801 /nfs/dbraw/zinc/99/18/01/1117991801.db2.gz REZNAWDKNMGREZ-CVDCTZTESA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147898 1117991803 /nfs/dbraw/zinc/99/18/03/1117991803.db2.gz REZNAWDKNMGREZ-CVDCTZTESA-N 2 1 352.522 4.366 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463149634 1117992879 /nfs/dbraw/zinc/99/28/79/1117992879.db2.gz VVZGUTRVQWQNGZ-XLIONFOSSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463149634 1117992882 /nfs/dbraw/zinc/99/28/82/1117992882.db2.gz VVZGUTRVQWQNGZ-XLIONFOSSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cccs1 ZINC000463193314 1118008677 /nfs/dbraw/zinc/00/86/77/1118008677.db2.gz RTWKSFGRIHRJKE-KRWDZBQOSA-N 2 1 360.542 4.363 20 0 FIADMP Cc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463189228 1118017841 /nfs/dbraw/zinc/01/78/41/1118017841.db2.gz KICDRYSMHDATPM-FQEVSTJZSA-N 2 1 352.522 4.059 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463189140 1118019169 /nfs/dbraw/zinc/01/91/69/1118019169.db2.gz JCSLHHWXUIMOHF-UWXQAFAOSA-N 2 1 366.549 4.184 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463189140 1118019173 /nfs/dbraw/zinc/01/91/73/1118019173.db2.gz JCSLHHWXUIMOHF-UWXQAFAOSA-N 2 1 366.549 4.184 20 0 FIADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccs1 ZINC000540394210 1118028105 /nfs/dbraw/zinc/02/81/05/1118028105.db2.gz IZUOSPRGEGLDIJ-KSZLIROESA-N 2 1 373.566 4.003 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000463198702 1118029962 /nfs/dbraw/zinc/02/99/62/1118029962.db2.gz WQIYQTBEOWCTSM-YOFSQIOKSA-N 2 1 354.542 4.072 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000463198702 1118029968 /nfs/dbraw/zinc/02/99/68/1118029968.db2.gz WQIYQTBEOWCTSM-YOFSQIOKSA-N 2 1 354.542 4.072 20 0 FIADMP Cc1nc2ccccc2n1CCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000463198702 1118029973 /nfs/dbraw/zinc/02/99/73/1118029973.db2.gz WQIYQTBEOWCTSM-YOFSQIOKSA-N 2 1 354.542 4.072 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408560 1118038239 /nfs/dbraw/zinc/03/82/39/1118038239.db2.gz MCWHGMVKJYZPLL-SBUREZEXSA-N 2 1 368.496 4.214 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(F)ccc43)c2)CCO1 ZINC000540408560 1118038249 /nfs/dbraw/zinc/03/82/49/1118038249.db2.gz MCWHGMVKJYZPLL-SBUREZEXSA-N 2 1 368.496 4.214 20 0 FIADMP CSc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463248387 1118053265 /nfs/dbraw/zinc/05/32/65/1118053265.db2.gz OWMJNCAMJVPHLX-UHFFFAOYSA-N 2 1 354.563 4.248 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CCN1Cc1ccccc1 ZINC000540482643 1118081853 /nfs/dbraw/zinc/08/18/53/1118081853.db2.gz AXFIFSDFLDTXFF-GHTZIAJQSA-N 2 1 362.521 4.058 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000540482643 1118081857 /nfs/dbraw/zinc/08/18/57/1118081857.db2.gz AXFIFSDFLDTXFF-GHTZIAJQSA-N 2 1 362.521 4.058 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000540482643 1118081862 /nfs/dbraw/zinc/08/18/62/1118081862.db2.gz AXFIFSDFLDTXFF-GHTZIAJQSA-N 2 1 362.521 4.058 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@@H]1C ZINC000540548439 1118120280 /nfs/dbraw/zinc/12/02/80/1118120280.db2.gz UXEDXITUXVNQAH-PZJWPPBQSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@@H]1C ZINC000540548439 1118120284 /nfs/dbraw/zinc/12/02/84/1118120284.db2.gz UXEDXITUXVNQAH-PZJWPPBQSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@@H]1C ZINC000540548439 1118120287 /nfs/dbraw/zinc/12/02/87/1118120287.db2.gz UXEDXITUXVNQAH-PZJWPPBQSA-N 2 1 374.569 4.187 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)[C@@H](C)C1 ZINC000540551851 1118123491 /nfs/dbraw/zinc/12/34/91/1118123491.db2.gz VORAGIPJXIHYBE-SIKLNZKXSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@@H](C)C1 ZINC000540551851 1118123495 /nfs/dbraw/zinc/12/34/95/1118123495.db2.gz VORAGIPJXIHYBE-SIKLNZKXSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@@H](C)C1 ZINC000540551851 1118123500 /nfs/dbraw/zinc/12/35/00/1118123500.db2.gz VORAGIPJXIHYBE-SIKLNZKXSA-N 2 1 374.569 4.044 20 0 FIADMP CC(C)(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000540595916 1118139962 /nfs/dbraw/zinc/13/99/62/1118139962.db2.gz GOWQKXJDFXPEAW-LJQANCHMSA-N 2 1 352.950 4.254 20 0 FIADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645825 1118172373 /nfs/dbraw/zinc/17/23/73/1118172373.db2.gz LITWJRXMBDJTHM-VGOFRKELSA-N 2 1 356.510 4.220 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000540988455 1118339340 /nfs/dbraw/zinc/33/93/40/1118339340.db2.gz LLWSMKWGBKXXDS-IRLDBZIGSA-N 2 1 370.924 4.074 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000540990275 1118341183 /nfs/dbraw/zinc/34/11/83/1118341183.db2.gz KSWHPJCIUWZSDS-KNQAVFIVSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000540990275 1118341187 /nfs/dbraw/zinc/34/11/87/1118341187.db2.gz KSWHPJCIUWZSDS-KNQAVFIVSA-N 2 1 368.496 4.194 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000464065591 1118424841 /nfs/dbraw/zinc/42/48/41/1118424841.db2.gz GDFYCGSSDYJODY-CEXWTWQISA-N 2 1 357.473 4.005 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541348370 1118482086 /nfs/dbraw/zinc/48/20/86/1118482086.db2.gz CAUYWNUODKUTCE-PZJWPPBQSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541348370 1118482089 /nfs/dbraw/zinc/48/20/89/1118482089.db2.gz CAUYWNUODKUTCE-PZJWPPBQSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348370 1118482092 /nfs/dbraw/zinc/48/20/92/1118482092.db2.gz CAUYWNUODKUTCE-PZJWPPBQSA-N 2 1 374.569 4.483 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541348370 1118482095 /nfs/dbraw/zinc/48/20/95/1118482095.db2.gz CAUYWNUODKUTCE-PZJWPPBQSA-N 2 1 374.569 4.483 20 0 FIADMP COc1ccc(Oc2ccc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc2)cc1 ZINC000541537891 1118546198 /nfs/dbraw/zinc/54/61/98/1118546198.db2.gz UDQFBVZUDQSBKF-IBGZPJMESA-N 2 1 354.494 4.261 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC000541537891 1118546199 /nfs/dbraw/zinc/54/61/99/1118546199.db2.gz UDQFBVZUDQSBKF-IBGZPJMESA-N 2 1 354.494 4.261 20 0 FIADMP COc1ccc(Oc2ccc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC000541537891 1118546201 /nfs/dbraw/zinc/54/62/01/1118546201.db2.gz UDQFBVZUDQSBKF-IBGZPJMESA-N 2 1 354.494 4.261 20 0 FIADMP CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541552982 1118560220 /nfs/dbraw/zinc/56/02/20/1118560220.db2.gz YLNSQRRLHCLXRB-GAJHUEQPSA-N 2 1 363.480 4.395 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000541746843 1118625113 /nfs/dbraw/zinc/62/51/13/1118625113.db2.gz NBKZOGDLWNQNTG-HSZRJFAPSA-N 2 1 360.505 4.198 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000541746845 1118625311 /nfs/dbraw/zinc/62/53/11/1118625311.db2.gz NBKZOGDLWNQNTG-QHCPKHFHSA-N 2 1 360.505 4.198 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464779036 1118691435 /nfs/dbraw/zinc/69/14/35/1118691435.db2.gz OTZJLZVPVSRWDT-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791422 1118699688 /nfs/dbraw/zinc/69/96/88/1118699688.db2.gz TWRVHSBXBYWBJU-AATOQMJSSA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791422 1118699691 /nfs/dbraw/zinc/69/96/91/1118699691.db2.gz TWRVHSBXBYWBJU-AATOQMJSSA-N 2 1 351.332 4.126 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791422 1118699693 /nfs/dbraw/zinc/69/96/93/1118699693.db2.gz TWRVHSBXBYWBJU-AATOQMJSSA-N 2 1 351.332 4.126 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791401 1118699910 /nfs/dbraw/zinc/69/99/10/1118699910.db2.gz SSEHWKSZHYYQHN-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791401 1118699912 /nfs/dbraw/zinc/69/99/12/1118699912.db2.gz SSEHWKSZHYYQHN-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791401 1118699915 /nfs/dbraw/zinc/69/99/15/1118699915.db2.gz SSEHWKSZHYYQHN-MRXNPFEDSA-N 2 1 358.448 4.138 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C(C)(C)c1ccccc1 ZINC000541915167 1118706436 /nfs/dbraw/zinc/70/64/36/1118706436.db2.gz BAVGBTAOJLQHMC-WMZHIEFXSA-N 2 1 366.549 4.099 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000464866302 1118729010 /nfs/dbraw/zinc/72/90/10/1118729010.db2.gz CUHRKNLIEIYNRP-UHFFFAOYSA-N 2 1 367.468 4.311 20 0 FIADMP CC(C)(C)OC(=O)CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542256788 1118870773 /nfs/dbraw/zinc/87/07/73/1118870773.db2.gz BTALYPQQDOJMEL-UHFFFAOYSA-N 2 1 372.553 4.096 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000303215168 1118875087 /nfs/dbraw/zinc/87/50/87/1118875087.db2.gz SVDKJUYNWBONBT-UHFFFAOYSA-N 2 1 356.485 4.049 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852973 1118987174 /nfs/dbraw/zinc/98/71/74/1118987174.db2.gz PBFWUKMFNAOXBG-LBVMUVSTSA-N 2 1 352.522 4.405 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852973 1118987176 /nfs/dbraw/zinc/98/71/76/1118987176.db2.gz PBFWUKMFNAOXBG-LBVMUVSTSA-N 2 1 352.522 4.405 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1Cl ZINC000177251332 1119319738 /nfs/dbraw/zinc/31/97/38/1119319738.db2.gz BHHRFUWQLNYRRQ-SJORKVTESA-N 2 1 358.913 4.412 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1Cl ZINC000177251332 1119319742 /nfs/dbraw/zinc/31/97/42/1119319742.db2.gz BHHRFUWQLNYRRQ-SJORKVTESA-N 2 1 358.913 4.412 20 0 FIADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000178253586 1119380222 /nfs/dbraw/zinc/38/02/22/1119380222.db2.gz JROLSTTXTQYRTN-HNNXBMFYSA-N 2 1 372.944 4.359 20 0 FIADMP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311704810 1119385228 /nfs/dbraw/zinc/38/52/28/1119385228.db2.gz VAQGWMPFZFZQKZ-SIKLNZKXSA-N 2 1 352.522 4.474 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311994857 1119397086 /nfs/dbraw/zinc/39/70/86/1119397086.db2.gz SSARSCPBBXKVOU-VQIMIIECSA-N 2 1 360.448 4.288 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000178695457 1119403574 /nfs/dbraw/zinc/40/35/74/1119403574.db2.gz FQKDOXJBAQNRIO-ZDUSSCGKSA-N 2 1 362.880 4.206 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2ccc(F)cc2)cc1 ZINC000493278479 1119438351 /nfs/dbraw/zinc/43/83/51/1119438351.db2.gz UZLMDJPBKJOYMO-JAXLGGSGSA-N 2 1 356.485 4.386 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000493926969 1119509663 /nfs/dbraw/zinc/50/96/63/1119509663.db2.gz PTBVNQKIONQDBQ-VNHKHXMHSA-N 2 1 352.522 4.263 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000493926969 1119509668 /nfs/dbraw/zinc/50/96/68/1119509668.db2.gz PTBVNQKIONQDBQ-VNHKHXMHSA-N 2 1 352.522 4.263 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000493934909 1119511713 /nfs/dbraw/zinc/51/17/13/1119511713.db2.gz GZIBMBSDYPZAJW-ZHNGQKSSSA-N 2 1 354.538 4.108 20 0 FIADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000494151957 1119547624 /nfs/dbraw/zinc/54/76/24/1119547624.db2.gz GMHCBNWHACVXLB-HDICACEKSA-N 2 1 364.624 4.341 20 0 FIADMP C[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000494151957 1119547629 /nfs/dbraw/zinc/54/76/29/1119547629.db2.gz GMHCBNWHACVXLB-HDICACEKSA-N 2 1 364.624 4.341 20 0 FIADMP C[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000494151957 1119547631 /nfs/dbraw/zinc/54/76/31/1119547631.db2.gz GMHCBNWHACVXLB-HDICACEKSA-N 2 1 364.624 4.341 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000182824513 1119560330 /nfs/dbraw/zinc/56/03/30/1119560330.db2.gz ZEXHAYQUWBAIFZ-GDBMZVCRSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCSc2ccnc3cc(Cl)ccc32)CC[N@H+]1C ZINC000182824513 1119560333 /nfs/dbraw/zinc/56/03/33/1119560333.db2.gz ZEXHAYQUWBAIFZ-GDBMZVCRSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824513 1119560336 /nfs/dbraw/zinc/56/03/36/1119560336.db2.gz ZEXHAYQUWBAIFZ-GDBMZVCRSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCSc2ccnc3cc(Cl)ccc32)CC[NH+]1C ZINC000182824513 1119560339 /nfs/dbraw/zinc/56/03/39/1119560339.db2.gz ZEXHAYQUWBAIFZ-GDBMZVCRSA-N 2 1 363.958 4.395 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542477012 1119622996 /nfs/dbraw/zinc/62/29/96/1119622996.db2.gz AVUMZDCPNXEHDQ-XMSQKQJNSA-N 2 1 355.501 4.412 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000190760913 1119947704 /nfs/dbraw/zinc/94/77/04/1119947704.db2.gz CUXBJMYKHHRBIQ-UHFFFAOYSA-N 2 1 351.288 4.172 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000190760913 1119947707 /nfs/dbraw/zinc/94/77/07/1119947707.db2.gz CUXBJMYKHHRBIQ-UHFFFAOYSA-N 2 1 351.288 4.172 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000190760940 1119947956 /nfs/dbraw/zinc/94/79/56/1119947956.db2.gz AHQYINNFLLFBOI-UHFFFAOYSA-N 2 1 354.542 4.056 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245763 1119966978 /nfs/dbraw/zinc/96/69/78/1119966978.db2.gz ISVOXCNWACCMSO-AEFFLSMTSA-N 2 1 360.571 4.397 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245763 1119966981 /nfs/dbraw/zinc/96/69/81/1119966981.db2.gz ISVOXCNWACCMSO-AEFFLSMTSA-N 2 1 360.571 4.397 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C[N@H+]1Cc1ccccc1 ZINC000494612399 1119995890 /nfs/dbraw/zinc/99/58/90/1119995890.db2.gz NCIDTDILVVJBHU-ZADIZFFCSA-N 2 1 368.565 4.224 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc(Cl)c1O ZINC000494680254 1120028628 /nfs/dbraw/zinc/02/86/28/1120028628.db2.gz MTFSKMYGABONDN-UHFFFAOYSA-N 2 1 354.922 4.189 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc(Cl)c1O ZINC000494680254 1120028633 /nfs/dbraw/zinc/02/86/33/1120028633.db2.gz MTFSKMYGABONDN-UHFFFAOYSA-N 2 1 354.922 4.189 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192167141 1120034666 /nfs/dbraw/zinc/03/46/66/1120034666.db2.gz ZEYBWVFZVJWJLQ-NSHDSACASA-N 2 1 356.695 4.033 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136421 1120120238 /nfs/dbraw/zinc/12/02/38/1120120238.db2.gz SVKGHSHVDXGSST-NZQKXSOJSA-N 2 1 374.532 4.104 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136435 1120120394 /nfs/dbraw/zinc/12/03/94/1120120394.db2.gz SVKGHSHVDXGSST-NFBKMPQASA-N 2 1 374.532 4.104 20 0 FIADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000195139679 1120120770 /nfs/dbraw/zinc/12/07/70/1120120770.db2.gz IXRMNANMJYPRGC-MSOLQXFVSA-N 2 1 355.551 4.195 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494774771 1120183423 /nfs/dbraw/zinc/18/34/23/1120183423.db2.gz LCSBGDPSHBXSFA-FUKQBSRTSA-N 2 1 352.522 4.263 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194044524 1120233684 /nfs/dbraw/zinc/23/36/84/1120233684.db2.gz QWTUVXYWFGIVOB-KVJIRVJXSA-N 2 1 354.538 4.149 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737400 1120298911 /nfs/dbraw/zinc/29/89/11/1120298911.db2.gz CEEZVXXPENXCHS-RBUKOAKNSA-N 2 1 371.569 4.335 20 0 FIADMP C[N@@H+](CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882555 1120356383 /nfs/dbraw/zinc/35/63/83/1120356383.db2.gz ZVHNQTKTABTBJB-REWPJTCUSA-N 2 1 370.512 4.405 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494926305 1120381745 /nfs/dbraw/zinc/38/17/45/1120381745.db2.gz XEMCPGJZTQZQHF-VQQMMKBISA-N 2 1 362.533 4.251 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2C)C2CCCC2)CC1 ZINC000494925026 1120382102 /nfs/dbraw/zinc/38/21/02/1120382102.db2.gz SKKNKWPEQRESKN-HSZRJFAPSA-N 2 1 357.586 4.234 20 0 FIADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000648737732 1120417852 /nfs/dbraw/zinc/41/78/52/1120417852.db2.gz FPXQZFNRPRDDPX-ROUUACIJSA-N 2 1 368.525 4.410 20 0 FIADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000648737732 1120417854 /nfs/dbraw/zinc/41/78/54/1120417854.db2.gz FPXQZFNRPRDDPX-ROUUACIJSA-N 2 1 368.525 4.410 20 0 FIADMP Cc1ccccc1[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000495035785 1120443661 /nfs/dbraw/zinc/44/36/61/1120443661.db2.gz DVCRPSPGJTWURZ-JOCHJYFZSA-N 2 1 356.554 4.461 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000495089051 1120468741 /nfs/dbraw/zinc/46/87/41/1120468741.db2.gz XBZOKMYZHXXRHF-WOIUINJBSA-N 2 1 362.533 4.251 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000303020277 1120725506 /nfs/dbraw/zinc/72/55/06/1120725506.db2.gz QXJXJXHHMZBPKE-QFIPXVFZSA-N 2 1 365.521 4.132 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000495415654 1120792795 /nfs/dbraw/zinc/79/27/95/1120792795.db2.gz SCQIBWVTUMQCPE-TZYHBYERSA-N 2 1 374.544 4.488 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000236829415 1120970436 /nfs/dbraw/zinc/97/04/36/1120970436.db2.gz QMSRLUGLEJWXBM-WOJBJXKFSA-N 2 1 368.525 4.291 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000237771448 1120983550 /nfs/dbraw/zinc/98/35/50/1120983550.db2.gz BRSQHXYWARGLFD-UHFFFAOYSA-N 2 1 374.475 4.393 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000542666278 1121024795 /nfs/dbraw/zinc/02/47/95/1121024795.db2.gz WZBMGDCOGVFYBU-AVRDEDQJSA-N 2 1 370.924 4.074 20 0 FIADMP CCc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)on1 ZINC001203227750 1121298817 /nfs/dbraw/zinc/29/88/17/1121298817.db2.gz ITGSHURORSFFJD-UHFFFAOYSA-N 2 1 353.510 4.115 20 0 FIADMP Brc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166262903 1121466271 /nfs/dbraw/zinc/46/62/71/1121466271.db2.gz KXZMXNJILWYYTB-QZTJIDSGSA-N 2 1 363.343 4.087 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000123458751 1121577931 /nfs/dbraw/zinc/57/79/31/1121577931.db2.gz DOZOKASRVSEEGR-SIKLNZKXSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000123458751 1121577936 /nfs/dbraw/zinc/57/79/36/1121577936.db2.gz DOZOKASRVSEEGR-SIKLNZKXSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123458751 1121577941 /nfs/dbraw/zinc/57/79/41/1121577941.db2.gz DOZOKASRVSEEGR-SIKLNZKXSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123458751 1121577945 /nfs/dbraw/zinc/57/79/45/1121577945.db2.gz DOZOKASRVSEEGR-SIKLNZKXSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000306604992 1121603678 /nfs/dbraw/zinc/60/36/78/1121603678.db2.gz ZRPMZWOFUMKLKC-GOEBONIOSA-N 2 1 360.299 4.309 20 0 FIADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000306604992 1121603680 /nfs/dbraw/zinc/60/36/80/1121603680.db2.gz ZRPMZWOFUMKLKC-GOEBONIOSA-N 2 1 360.299 4.309 20 0 FIADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000306604989 1121603816 /nfs/dbraw/zinc/60/38/16/1121603816.db2.gz ZRPMZWOFUMKLKC-GDBMZVCRSA-N 2 1 360.299 4.309 20 0 FIADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000306604989 1121603822 /nfs/dbraw/zinc/60/38/22/1121603822.db2.gz ZRPMZWOFUMKLKC-GDBMZVCRSA-N 2 1 360.299 4.309 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2OCCc3ccccc32)CC1 ZINC000671752043 1121738281 /nfs/dbraw/zinc/73/82/81/1121738281.db2.gz YJTFPBBFNOUMQK-UBVWURDFSA-N 2 1 364.533 4.333 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000671759910 1121785203 /nfs/dbraw/zinc/78/52/03/1121785203.db2.gz UWRGRCYEJTXCID-FRQCXROJSA-N 2 1 365.477 4.095 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000125793356 1121838684 /nfs/dbraw/zinc/83/86/84/1121838684.db2.gz JXXDUMYNKKYPDB-GJZGRUSLSA-N 2 1 356.457 4.068 20 0 FIADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OCc1cccs1 ZINC000069754218 1121879416 /nfs/dbraw/zinc/87/94/16/1121879416.db2.gz NXXVADJZNAICON-UHFFFAOYSA-N 2 1 371.506 4.021 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000073016970 1121915083 /nfs/dbraw/zinc/91/50/83/1121915083.db2.gz NSZNOESQJKYNFH-UHFFFAOYSA-N 2 1 368.525 4.064 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126185489 1121930706 /nfs/dbraw/zinc/93/07/06/1121930706.db2.gz FZZPHGWCKHZKED-CVDCTZTESA-N 2 1 374.532 4.028 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126476594 1121957745 /nfs/dbraw/zinc/95/77/45/1121957745.db2.gz GWTIPSNZLUSQBS-GFQSRZNMSA-N 2 1 352.526 4.155 20 0 FIADMP COc1ccc(OC(F)F)c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000497291877 1122005133 /nfs/dbraw/zinc/00/51/33/1122005133.db2.gz FLWWNOPHNREKOP-IYBDPMFKSA-N 2 1 370.484 4.144 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000765798086 1122014167 /nfs/dbraw/zinc/01/41/67/1122014167.db2.gz DTVSQBAXTARKCJ-UTKZUKDTSA-N 2 1 360.542 4.158 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873276 1122020562 /nfs/dbraw/zinc/02/05/62/1122020562.db2.gz DILMVTSHVUVEMR-SJORKVTESA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873276 1122020570 /nfs/dbraw/zinc/02/05/70/1122020570.db2.gz DILMVTSHVUVEMR-SJORKVTESA-N 2 1 374.550 4.328 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897564 1122025052 /nfs/dbraw/zinc/02/50/52/1122025052.db2.gz QPNGAUWOCLDJJS-HOTGVXAUSA-N 2 1 358.507 4.040 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897564 1122025061 /nfs/dbraw/zinc/02/50/61/1122025061.db2.gz QPNGAUWOCLDJJS-HOTGVXAUSA-N 2 1 358.507 4.040 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000765805931 1122066822 /nfs/dbraw/zinc/06/68/22/1122066822.db2.gz AULBGMLDMMRKCV-WTNAPCKOSA-N 2 1 372.940 4.048 20 0 FIADMP CC(C)O[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1(C)C ZINC000765811262 1122096869 /nfs/dbraw/zinc/09/68/69/1122096869.db2.gz OYPXDXXOUHPLRU-VXKWHMMOSA-N 2 1 373.585 4.469 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2CC)CC1 ZINC000066960735 1122116075 /nfs/dbraw/zinc/11/60/75/1122116075.db2.gz WRLPQXMDNFETTL-GOSISDBHSA-N 2 1 359.558 4.020 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000765815691 1122123470 /nfs/dbraw/zinc/12/34/70/1122123470.db2.gz KXBQBDZFUCTQQC-YHYVQYDKSA-N 2 1 372.940 4.048 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626998 1122188031 /nfs/dbraw/zinc/18/80/31/1122188031.db2.gz ZVRJXQBEBCIYRH-XWUOBKMESA-N 2 1 360.542 4.143 20 0 FIADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2cccs2)cc1 ZINC000128264714 1122216521 /nfs/dbraw/zinc/21/65/21/1122216521.db2.gz OBEHRJARWVUNJT-SFHVURJKSA-N 2 1 357.567 4.093 20 0 FIADMP c1ccc(-c2ccccc2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000917392604 1122285858 /nfs/dbraw/zinc/28/58/58/1122285858.db2.gz BRRISQDGDIDGPU-UHFFFAOYSA-N 2 1 372.512 4.476 20 0 FIADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000128630828 1122362754 /nfs/dbraw/zinc/36/27/54/1122362754.db2.gz PJMISPRYXQDLRZ-HXUWFJFHSA-N 2 1 369.553 4.184 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000497825363 1122421361 /nfs/dbraw/zinc/42/13/61/1122421361.db2.gz CDISJCNCXZKREG-JOCHJYFZSA-N 2 1 360.461 4.492 20 0 FIADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497853953 1122441284 /nfs/dbraw/zinc/44/12/84/1122441284.db2.gz RFXLCRIMOBHQTH-NRFANRHFSA-N 2 1 357.542 4.137 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556076910 1122638925 /nfs/dbraw/zinc/63/89/25/1122638925.db2.gz RFFVNRJDRHDTBW-RBUKOAKNSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000556076910 1122638928 /nfs/dbraw/zinc/63/89/28/1122638928.db2.gz RFFVNRJDRHDTBW-RBUKOAKNSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@H]1c1ccccc1 ZINC000556082990 1122644258 /nfs/dbraw/zinc/64/42/58/1122644258.db2.gz XTGIYJOZTFULAW-GJZGRUSLSA-N 2 1 369.456 4.130 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C[C@H]1c1ccccc1 ZINC000556082990 1122644260 /nfs/dbraw/zinc/64/42/60/1122644260.db2.gz XTGIYJOZTFULAW-GJZGRUSLSA-N 2 1 369.456 4.130 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000556093703 1122647481 /nfs/dbraw/zinc/64/74/81/1122647481.db2.gz KLCLANQIJBUZTQ-VQTJNVASSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000556093703 1122647484 /nfs/dbraw/zinc/64/74/84/1122647484.db2.gz KLCLANQIJBUZTQ-VQTJNVASSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094353 1122648983 /nfs/dbraw/zinc/64/89/83/1122648983.db2.gz SGNFWRTXHHFHHN-BPQIPLTHSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556094353 1122648987 /nfs/dbraw/zinc/64/89/87/1122648987.db2.gz SGNFWRTXHHFHHN-BPQIPLTHSA-N 2 1 370.459 4.245 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[C@H]1c1ccccc1 ZINC000556119848 1122670132 /nfs/dbraw/zinc/67/01/32/1122670132.db2.gz DXCHKHLGHAFOPH-ZRBLBEILSA-N 2 1 366.549 4.214 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C[C@H]1c1ccccc1 ZINC000556119848 1122670135 /nfs/dbraw/zinc/67/01/35/1122670135.db2.gz DXCHKHLGHAFOPH-ZRBLBEILSA-N 2 1 366.549 4.214 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178779 1122717683 /nfs/dbraw/zinc/71/76/83/1122717683.db2.gz ISLFBGVYDQMBFL-SIKLNZKXSA-N 2 1 366.505 4.036 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000556215799 1122741829 /nfs/dbraw/zinc/74/18/29/1122741829.db2.gz GJRYTNIVNIBXQM-MSOLQXFVSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000556215799 1122741831 /nfs/dbraw/zinc/74/18/31/1122741831.db2.gz GJRYTNIVNIBXQM-MSOLQXFVSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000556215802 1122741904 /nfs/dbraw/zinc/74/19/04/1122741904.db2.gz GJRYTNIVNIBXQM-QZTJIDSGSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000556215802 1122741910 /nfs/dbraw/zinc/74/19/10/1122741910.db2.gz GJRYTNIVNIBXQM-QZTJIDSGSA-N 2 1 363.427 4.068 20 0 FIADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230588 1122757125 /nfs/dbraw/zinc/75/71/25/1122757125.db2.gz OUFMFCHCHOHKOT-YADHBBJMSA-N 2 1 370.581 4.474 20 0 FIADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230726 1122757412 /nfs/dbraw/zinc/75/74/12/1122757412.db2.gz ANFIPZXFMCDWRS-VJBWXMMDSA-N 2 1 370.581 4.474 20 0 FIADMP CSc1ccc([C@@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000556259526 1122769957 /nfs/dbraw/zinc/76/99/57/1122769957.db2.gz CPRQQOHFECHGMB-OAQYLSRUSA-N 2 1 361.599 4.008 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)c2cccnc12 ZINC000556284673 1122790076 /nfs/dbraw/zinc/79/00/76/1122790076.db2.gz IQXYSWXBVYFMDI-UHFFFAOYSA-N 2 1 351.469 4.458 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3cccc(C[NH+]4CCC(C)CC4)c3)cn2c1 ZINC000556385475 1122859526 /nfs/dbraw/zinc/85/95/26/1122859526.db2.gz IKUXQRDEAFTAEK-UHFFFAOYSA-N 2 1 362.521 4.164 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868736 1123149828 /nfs/dbraw/zinc/14/98/28/1123149828.db2.gz BTXXJEGSSDPJQC-KSSFIOAISA-N 2 1 356.432 4.358 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868735 1123149858 /nfs/dbraw/zinc/14/98/58/1123149858.db2.gz BTXXJEGSSDPJQC-KDOFPFPSSA-N 2 1 356.432 4.358 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000556887497 1123163883 /nfs/dbraw/zinc/16/38/83/1123163883.db2.gz YKBVIFKIDPXNGC-QPTUXGOLSA-N 2 1 363.549 4.295 20 0 FIADMP CC(C)Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000556889465 1123175077 /nfs/dbraw/zinc/17/50/77/1123175077.db2.gz HSFPGQKGNJHIOK-CYFREDJKSA-N 2 1 366.549 4.303 20 0 FIADMP CC(C)CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000556889926 1123177475 /nfs/dbraw/zinc/17/74/75/1123177475.db2.gz KVFYDOCECGMMFE-YADHBBJMSA-N 2 1 356.510 4.113 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4(c5ccccn5)CCC4)[C@H]3C2)cc1 ZINC000556925576 1123226422 /nfs/dbraw/zinc/22/64/22/1123226422.db2.gz VGDWAZLWPUJYIH-FDFHNCONSA-N 2 1 361.533 4.004 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499138844 1123281383 /nfs/dbraw/zinc/28/13/83/1123281383.db2.gz JOWDFWCAYNVKNS-CAUSLRQDSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138844 1123281385 /nfs/dbraw/zinc/28/13/85/1123281385.db2.gz JOWDFWCAYNVKNS-CAUSLRQDSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138844 1123281388 /nfs/dbraw/zinc/28/13/88/1123281388.db2.gz JOWDFWCAYNVKNS-CAUSLRQDSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138844 1123281390 /nfs/dbraw/zinc/28/13/90/1123281390.db2.gz JOWDFWCAYNVKNS-CAUSLRQDSA-N 2 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499138844 1123281392 /nfs/dbraw/zinc/28/13/92/1123281392.db2.gz JOWDFWCAYNVKNS-CAUSLRQDSA-N 2 1 369.597 4.426 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000499139830 1123282077 /nfs/dbraw/zinc/28/20/77/1123282077.db2.gz FGAOEQAKPILVBC-DKUWSORSSA-N 2 1 365.521 4.156 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000499139830 1123282081 /nfs/dbraw/zinc/28/20/81/1123282081.db2.gz FGAOEQAKPILVBC-DKUWSORSSA-N 2 1 365.521 4.156 20 0 FIADMP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158120 1123298242 /nfs/dbraw/zinc/29/82/42/1123298242.db2.gz RSQKKRXQADZBKE-DODNOZFWSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H](COc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159596 1123299467 /nfs/dbraw/zinc/29/94/67/1123299467.db2.gz VRKNKJOJRZMVDW-AGOPTVSRSA-N 2 1 368.496 4.378 20 0 FIADMP CC[N@@H+](CCCC1CC[NH+](Cc2cncs2)CC1)Cc1cncs1 ZINC000660153237 1123306623 /nfs/dbraw/zinc/30/66/23/1123306623.db2.gz ARARQPFAEXQJTF-UHFFFAOYSA-N 2 1 364.584 4.114 20 0 FIADMP CC[C@H]1CCCC[N@H+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499214779 1123330751 /nfs/dbraw/zinc/33/07/51/1123330751.db2.gz CUZVSYPRKASBPL-GPJHCHHRSA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499214779 1123330755 /nfs/dbraw/zinc/33/07/55/1123330755.db2.gz CUZVSYPRKASBPL-GPJHCHHRSA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@H]1CCCC[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499214779 1123330760 /nfs/dbraw/zinc/33/07/60/1123330760.db2.gz CUZVSYPRKASBPL-GPJHCHHRSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235275 1123342999 /nfs/dbraw/zinc/34/29/99/1123342999.db2.gz PYZPTCJQGFDWIY-AYWYSENESA-N 2 1 368.496 4.378 20 0 FIADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000499253798 1123372968 /nfs/dbraw/zinc/37/29/68/1123372968.db2.gz SUUNGXJXMHMJKJ-ACDBMABISA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000499253798 1123372972 /nfs/dbraw/zinc/37/29/72/1123372972.db2.gz SUUNGXJXMHMJKJ-ACDBMABISA-N 2 1 354.469 4.120 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133403321 1123484674 /nfs/dbraw/zinc/48/46/74/1123484674.db2.gz DESMLMRUPYGOMJ-YDIMBITNSA-N 3 1 365.565 4.234 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133403321 1123484677 /nfs/dbraw/zinc/48/46/77/1123484677.db2.gz DESMLMRUPYGOMJ-YDIMBITNSA-N 2 1 365.565 4.234 20 0 FIADMP C[C@H](CC[N@H+]1CCSC2(CCC2)CC1)[NH+]1CCSC2(CCC2)CC1 ZINC000411868470 1124042317 /nfs/dbraw/zinc/04/23/17/1124042317.db2.gz KQSLEGISMRJBGC-GOSISDBHSA-N 2 1 368.656 4.488 20 0 FIADMP C[C@H](CC[NH+]1CCSC2(CCC2)CC1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868470 1124042323 /nfs/dbraw/zinc/04/23/23/1124042323.db2.gz KQSLEGISMRJBGC-GOSISDBHSA-N 2 1 368.656 4.488 20 0 FIADMP C[C@H](CC[NH+]1CCSC2(CCC2)CC1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411868470 1124042329 /nfs/dbraw/zinc/04/23/29/1124042329.db2.gz KQSLEGISMRJBGC-GOSISDBHSA-N 2 1 368.656 4.488 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2[C@H]4CCO[C@H]4C24CCCC4)C3)cc1 ZINC000245695117 1124204620 /nfs/dbraw/zinc/20/46/20/1124204620.db2.gz KYRYLTQLEWPNSF-YPEXMJEGSA-N 2 1 366.549 4.119 20 0 FIADMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000245701842 1124209625 /nfs/dbraw/zinc/20/96/25/1124209625.db2.gz LTTQEEFKZGSJQS-GPJHCHHRSA-N 2 1 368.496 4.298 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245724491 1124220995 /nfs/dbraw/zinc/22/09/95/1124220995.db2.gz PGNWBGPJQALPEF-AGOPTVSRSA-N 2 1 350.506 4.108 20 0 FIADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1C ZINC000542852112 1124465230 /nfs/dbraw/zinc/46/52/30/1124465230.db2.gz QPCMNONXZYERAX-NZQKXSOJSA-N 2 1 366.549 4.419 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(Cl)c1 ZINC000246916501 1124573403 /nfs/dbraw/zinc/57/34/03/1124573403.db2.gz GMZMQQUWBHFYQX-DLBZAZTESA-N 2 1 358.913 4.412 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(Cl)c1 ZINC000246916501 1124573405 /nfs/dbraw/zinc/57/34/05/1124573405.db2.gz GMZMQQUWBHFYQX-DLBZAZTESA-N 2 1 358.913 4.412 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cn3cccc(C)c3n2)cc1 ZINC000156321667 1124577092 /nfs/dbraw/zinc/57/70/92/1124577092.db2.gz RLZQLKUGJZRODB-KRWDZBQOSA-N 2 1 359.477 4.030 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000246979001 1124578617 /nfs/dbraw/zinc/57/86/17/1124578617.db2.gz JXXDUMYNKKYPDB-CABCVRRESA-N 2 1 356.457 4.068 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC000248046755 1124739584 /nfs/dbraw/zinc/73/95/84/1124739584.db2.gz VIOQKTNPINGFIT-LMMKCTJWSA-N 2 1 374.525 4.229 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3cccc(OC)c3o2)[C@H](C)C1 ZINC000248046755 1124739591 /nfs/dbraw/zinc/73/95/91/1124739591.db2.gz VIOQKTNPINGFIT-LMMKCTJWSA-N 2 1 374.525 4.229 20 0 FIADMP Cc1nc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000248171646 1124748521 /nfs/dbraw/zinc/74/85/21/1124748521.db2.gz UXGQUCMHUYTOIM-FUHWJXTLSA-N 2 1 359.901 4.220 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(c1ccccc1)c1ccccc1 ZINC000248175041 1124749086 /nfs/dbraw/zinc/74/90/86/1124749086.db2.gz VLPZKJWCFDXFGQ-REWPJTCUSA-N 2 1 366.549 4.034 20 0 FIADMP C[C@@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398307 1124760076 /nfs/dbraw/zinc/76/00/76/1124760076.db2.gz ISLIZXFOBITWBC-DYXWJJEUSA-N 2 1 366.553 4.235 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248398307 1124760087 /nfs/dbraw/zinc/76/00/87/1124760087.db2.gz ISLIZXFOBITWBC-DYXWJJEUSA-N 2 1 366.553 4.235 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398307 1124760097 /nfs/dbraw/zinc/76/00/97/1124760097.db2.gz ISLIZXFOBITWBC-DYXWJJEUSA-N 2 1 366.553 4.235 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000248433921 1124768334 /nfs/dbraw/zinc/76/83/34/1124768334.db2.gz DMBYCOZJHSQBGW-UGKGYDQZSA-N 2 1 356.485 4.023 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000248454145 1124771766 /nfs/dbraw/zinc/77/17/66/1124771766.db2.gz QYFMMWWUCQWJLZ-WZONZLPQSA-N 2 1 366.549 4.402 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248454495 1124772369 /nfs/dbraw/zinc/77/23/69/1124772369.db2.gz ZKUIYLUBNJQXIH-DKUWSORSSA-N 2 1 359.517 4.496 20 0 FIADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1F ZINC000248874415 1124820845 /nfs/dbraw/zinc/82/08/45/1124820845.db2.gz LIUSHFYNYKPVBB-LNLFQRSKSA-N 2 1 362.533 4.256 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CCO2 ZINC000248992522 1124834386 /nfs/dbraw/zinc/83/43/86/1124834386.db2.gz NXBISYDTACZJTP-IIZPIQPGSA-N 2 1 366.480 4.435 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCO2 ZINC000248992522 1124834394 /nfs/dbraw/zinc/83/43/94/1124834394.db2.gz NXBISYDTACZJTP-IIZPIQPGSA-N 2 1 366.480 4.435 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000517270601 1124910446 /nfs/dbraw/zinc/91/04/46/1124910446.db2.gz JIFITNZYBKSFRV-MPGHIAIKSA-N 2 1 368.363 4.395 20 0 FIADMP CCCO[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000254928549 1125065226 /nfs/dbraw/zinc/06/52/26/1125065226.db2.gz YJVXXAKTHGWQHL-HENPEBFISA-N 2 1 366.590 4.105 20 0 FIADMP CCCO[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000254928549 1125065234 /nfs/dbraw/zinc/06/52/34/1125065234.db2.gz YJVXXAKTHGWQHL-HENPEBFISA-N 2 1 366.590 4.105 20 0 FIADMP CCCO[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](OCCC)CC2)CC1 ZINC000254928549 1125065242 /nfs/dbraw/zinc/06/52/42/1125065242.db2.gz YJVXXAKTHGWQHL-HENPEBFISA-N 2 1 366.590 4.105 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619404 1125204926 /nfs/dbraw/zinc/20/49/26/1125204926.db2.gz AFBCYNRVSNONKR-DNVCBOLYSA-N 2 1 369.896 4.261 20 0 FIADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821145 1125244524 /nfs/dbraw/zinc/24/45/24/1125244524.db2.gz OVXLFALABMEYCX-INIZCTEOSA-N 2 1 371.529 4.062 20 0 FIADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821145 1125244531 /nfs/dbraw/zinc/24/45/31/1125244531.db2.gz OVXLFALABMEYCX-INIZCTEOSA-N 2 1 371.529 4.062 20 0 FIADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336804 1125306707 /nfs/dbraw/zinc/30/67/07/1125306707.db2.gz HVGKQJZOGWFGRO-FQEVSTJZSA-N 2 1 360.505 4.031 20 0 FIADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336804 1125306737 /nfs/dbraw/zinc/30/67/37/1125306737.db2.gz HVGKQJZOGWFGRO-FQEVSTJZSA-N 2 1 360.505 4.031 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336804 1125306773 /nfs/dbraw/zinc/30/67/73/1125306773.db2.gz HVGKQJZOGWFGRO-FQEVSTJZSA-N 2 1 360.505 4.031 20 0 FIADMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336804 1125306794 /nfs/dbraw/zinc/30/67/94/1125306794.db2.gz HVGKQJZOGWFGRO-FQEVSTJZSA-N 2 1 360.505 4.031 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccnc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522756810 568050127 /nfs/dbraw/zinc/05/01/27/568050127.db2.gz IEYLGQUFUMRHEN-PKOBYXMFSA-N 2 1 363.427 4.273 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1)C(C)C ZINC000604726812 568353435 /nfs/dbraw/zinc/35/34/35/568353435.db2.gz SCHMMOAHWSGUQK-HXUWFJFHSA-N 2 1 361.574 4.013 20 0 FIADMP C[C@H](CC[NH+]1CCC(C(F)(F)F)CC1)N1CCC(C(F)(F)F)CC1 ZINC000431599731 568356691 /nfs/dbraw/zinc/35/66/91/568356691.db2.gz JGNPVFJUFBBHKF-GFCCVEGCSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc2ccccc21 ZINC000604774380 568364370 /nfs/dbraw/zinc/36/43/70/568364370.db2.gz UIWVJTPSDGWOHX-OXQOHEQNSA-N 2 1 355.526 4.123 20 0 FIADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccc(OC(F)(F)F)c2n1 ZINC000604881744 568383791 /nfs/dbraw/zinc/38/37/91/568383791.db2.gz VKHDMXBMRXZIHQ-UONOGXRCSA-N 2 1 365.399 4.481 20 0 FIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCCC[NH2+]3)CC2)nc1 ZINC001164386910 718803741 /nfs/dbraw/zinc/80/37/41/718803741.db2.gz HBRVIUNMKOSDTN-FQEVSTJZSA-N 2 1 356.558 4.131 20 0 FIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1 ZINC001164419816 718893288 /nfs/dbraw/zinc/89/32/88/718893288.db2.gz RDBISPNAAPOEHH-YADHBBJMSA-N 2 1 370.585 4.377 20 0 FIADMP Cc1cc2ccccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164859064 720981095 /nfs/dbraw/zinc/98/10/95/720981095.db2.gz KUUUAMNFAQVSKC-QGZVFWFLSA-N 2 1 363.509 4.161 20 0 FIADMP Cc1cc2ccccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164859064 720981105 /nfs/dbraw/zinc/98/11/05/720981105.db2.gz KUUUAMNFAQVSKC-QGZVFWFLSA-N 2 1 363.509 4.161 20 0 FIADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644121 1125470441 /nfs/dbraw/zinc/47/04/41/1125470441.db2.gz HWXPMZNUASFROC-XLIONFOSSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644121 1125470444 /nfs/dbraw/zinc/47/04/44/1125470444.db2.gz HWXPMZNUASFROC-XLIONFOSSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644121 1125470446 /nfs/dbraw/zinc/47/04/46/1125470446.db2.gz HWXPMZNUASFROC-XLIONFOSSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644121 1125470447 /nfs/dbraw/zinc/47/04/47/1125470447.db2.gz HWXPMZNUASFROC-XLIONFOSSA-N 2 1 368.521 4.285 20 0 FIADMP CC(=O)Nc1ccccc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093844591 1125533132 /nfs/dbraw/zinc/53/31/32/1125533132.db2.gz HTAIBSPYJDSYLC-SFHVURJKSA-N 2 1 357.542 4.122 20 0 FIADMP CCc1nc(C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)cs1 ZINC000182897704 1125677886 /nfs/dbraw/zinc/67/78/86/1125677886.db2.gz PHNVVXNXOOSSOD-HNNXBMFYSA-N 2 1 361.555 4.407 20 0 FIADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC001648786150 1079618509 /nfs/dbraw/zinc/61/85/09/1079618509.db2.gz SKFAOJJNPKNYLF-HDICACEKSA-N 2 1 356.485 4.033 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183183911 1125773451 /nfs/dbraw/zinc/77/34/51/1125773451.db2.gz XRRHNJVJAGZDGM-NLWGTHIKSA-N 2 1 369.553 4.117 20 0 FIADMP C[C@@H]([NH2+]CCc1ccccc1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530513407 1080008581 /nfs/dbraw/zinc/00/85/81/1080008581.db2.gz WAZSFDIVKLHGFQ-XLIONFOSSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)OCc1ccccc1 ZINC001208701996 1080090789 /nfs/dbraw/zinc/09/07/89/1080090789.db2.gz GGNHWGPNQKXSMR-XUZZJYLKSA-N 2 1 364.533 4.190 20 0 FIADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)OCc1ccccc1 ZINC001208701996 1080090794 /nfs/dbraw/zinc/09/07/94/1080090794.db2.gz GGNHWGPNQKXSMR-XUZZJYLKSA-N 2 1 364.533 4.190 20 0 FIADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OCc1ccccc1 ZINC001208701996 1080090802 /nfs/dbraw/zinc/09/08/02/1080090802.db2.gz GGNHWGPNQKXSMR-XUZZJYLKSA-N 2 1 364.533 4.190 20 0 FIADMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179465847 1080181301 /nfs/dbraw/zinc/18/13/01/1080181301.db2.gz AUNITNQZLSDJTR-XQBPLPMBSA-N 2 1 367.537 4.322 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180136105 1080455621 /nfs/dbraw/zinc/45/56/21/1080455621.db2.gz PGNWBGPJQALPEF-AMZGXZFVSA-N 2 1 350.506 4.108 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc2ccccc21 ZINC000180645310 1080533133 /nfs/dbraw/zinc/53/31/33/1080533133.db2.gz GWTAOGLTLTXCNI-GCJKJVERSA-N 2 1 360.501 4.257 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000239869286 1080560383 /nfs/dbraw/zinc/56/03/83/1080560383.db2.gz CXYPBVNIAMECGE-UHFFFAOYSA-N 3 1 355.570 4.036 20 0 FIADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000239869286 1080560389 /nfs/dbraw/zinc/56/03/89/1080560389.db2.gz CXYPBVNIAMECGE-UHFFFAOYSA-N 2 1 355.570 4.036 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000239869286 1080560393 /nfs/dbraw/zinc/56/03/93/1080560393.db2.gz CXYPBVNIAMECGE-UHFFFAOYSA-N 2 1 355.570 4.036 20 0 FIADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cccnc2Cl)cc1 ZINC000160274382 1080742943 /nfs/dbraw/zinc/74/29/43/1080742943.db2.gz UXQXFXWEYDUZDJ-MRXNPFEDSA-N 2 1 361.917 4.306 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117310 1080789139 /nfs/dbraw/zinc/78/91/39/1080789139.db2.gz GDRCECOQIDCALW-NLSFWIRASA-N 2 1 350.506 4.183 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117310 1080789144 /nfs/dbraw/zinc/78/91/44/1080789144.db2.gz GDRCECOQIDCALW-NLSFWIRASA-N 2 1 350.506 4.183 20 0 FIADMP CC(C)Oc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655696354 1081122470 /nfs/dbraw/zinc/12/24/70/1081122470.db2.gz GCBSVWHTDPHOGB-CVDCTZTESA-N 2 1 374.569 4.028 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655704311 1081125569 /nfs/dbraw/zinc/12/55/69/1081125569.db2.gz AICDSLSVWJBDEP-KDOFPFPSSA-N 2 1 371.352 4.157 20 0 FIADMP c1ccc(Sc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000655734935 1081157260 /nfs/dbraw/zinc/15/72/60/1081157260.db2.gz PSTVFXSZNQZDJA-HXUWFJFHSA-N 2 1 368.546 4.181 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000121442953 1081242847 /nfs/dbraw/zinc/24/28/47/1081242847.db2.gz GUMSFFLPVPHRCO-VXGBXAGGSA-N 2 1 354.267 4.080 20 0 FIADMP CN(C)c1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001167310541 1081278758 /nfs/dbraw/zinc/27/87/58/1081278758.db2.gz WDABZDGPZQEPKV-UHFFFAOYSA-N 2 1 351.538 4.097 20 0 FIADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1cn2ccccc2n1)C1CCCCC1 ZINC001648891379 1081352946 /nfs/dbraw/zinc/35/29/46/1081352946.db2.gz DBNJZROFTOWCTG-UHFFFAOYSA-N 2 1 362.521 4.389 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cn2ccccc2n1)C1CCCCC1 ZINC001648891379 1081352958 /nfs/dbraw/zinc/35/29/58/1081352958.db2.gz DBNJZROFTOWCTG-UHFFFAOYSA-N 2 1 362.521 4.389 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000048745021 1081835655 /nfs/dbraw/zinc/83/56/55/1081835655.db2.gz ZEIAUXRKGZWPQE-KRWDZBQOSA-N 2 1 371.912 4.024 20 0 FIADMP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312782673 1081840819 /nfs/dbraw/zinc/84/08/19/1081840819.db2.gz ASJLKICJBLSYOD-WIYYLYMNSA-N 2 1 368.521 4.094 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])c2C1 ZINC000580332038 1081855074 /nfs/dbraw/zinc/85/50/74/1081855074.db2.gz BBQGVENDNLZADP-YZKRDWPBSA-N 2 1 369.553 4.140 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398024982 1081914563 /nfs/dbraw/zinc/91/45/63/1081914563.db2.gz BWQMAKLQTYBNBI-IPJJNNNSSA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398024982 1081914566 /nfs/dbraw/zinc/91/45/66/1081914566.db2.gz BWQMAKLQTYBNBI-IPJJNNNSSA-N 2 1 352.522 4.126 20 0 FIADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000089582484 1081934619 /nfs/dbraw/zinc/93/46/19/1081934619.db2.gz VILQQVNWSVQOFL-VNQPRFMTSA-N 2 1 369.372 4.146 20 0 FIADMP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000580456178 1081954068 /nfs/dbraw/zinc/95/40/68/1081954068.db2.gz QDZYIELCYYVUGN-QGZVFWFLSA-N 2 1 358.913 4.159 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000580943569 1082239476 /nfs/dbraw/zinc/23/94/76/1082239476.db2.gz URNSQGHWVFIHSF-UHFFFAOYSA-N 2 1 360.933 4.146 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000580943569 1082239481 /nfs/dbraw/zinc/23/94/81/1082239481.db2.gz URNSQGHWVFIHSF-UHFFFAOYSA-N 2 1 360.933 4.146 20 0 FIADMP Cc1cccc2c1OC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101572 1082315453 /nfs/dbraw/zinc/31/54/53/1082315453.db2.gz MIZVAHPDPPJFQF-CWBXHPNXSA-N 2 1 362.517 4.084 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000581159267 1082347537 /nfs/dbraw/zinc/34/75/37/1082347537.db2.gz WEHWVDIMLWAYOJ-UHFFFAOYSA-N 2 1 367.468 4.432 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000581159267 1082347543 /nfs/dbraw/zinc/34/75/43/1082347543.db2.gz WEHWVDIMLWAYOJ-UHFFFAOYSA-N 2 1 367.468 4.432 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000154842158 1082405731 /nfs/dbraw/zinc/40/57/31/1082405731.db2.gz LYKAIXSTZZDAPI-UHFFFAOYSA-N 2 1 357.586 4.414 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154842158 1082405732 /nfs/dbraw/zinc/40/57/32/1082405732.db2.gz LYKAIXSTZZDAPI-UHFFFAOYSA-N 3 1 357.586 4.414 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154842158 1082405734 /nfs/dbraw/zinc/40/57/34/1082405734.db2.gz LYKAIXSTZZDAPI-UHFFFAOYSA-N 3 1 357.586 4.414 20 0 FIADMP CCOCc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574978 1082672409 /nfs/dbraw/zinc/67/24/09/1082672409.db2.gz WQRRPOGTESFBRC-WMZHIEFXSA-N 2 1 352.522 4.223 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3OCCc4ccccc43)CC23CC3)cc1 ZINC000647183171 1082922129 /nfs/dbraw/zinc/92/21/29/1082922129.db2.gz LVOAMHMVURWFLV-FYYLOGMGSA-N 2 1 362.517 4.087 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3OCCc4ccccc43)CC23CC3)cc1 ZINC000647183171 1082922132 /nfs/dbraw/zinc/92/21/32/1082922132.db2.gz LVOAMHMVURWFLV-FYYLOGMGSA-N 2 1 362.517 4.087 20 0 FIADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000471763228 1082961006 /nfs/dbraw/zinc/96/10/06/1082961006.db2.gz YHBRMISRMFDVRC-LBPRGKRZSA-N 2 1 360.914 4.399 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1)C(C)C ZINC000510774428 1083306534 /nfs/dbraw/zinc/30/65/34/1083306534.db2.gz RUVANHVQOQABJU-FQEVSTJZSA-N 2 1 373.566 4.011 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000658234533 1083374858 /nfs/dbraw/zinc/37/48/58/1083374858.db2.gz AUBIUZJJHDWUSK-SBUREZEXSA-N 2 1 350.506 4.065 20 0 FIADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658339393 1083415950 /nfs/dbraw/zinc/41/59/50/1083415950.db2.gz JTTDAQOBKHZTMN-RFRZSCIPSA-N 2 1 366.549 4.184 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)[C@H]1c1cccs1 ZINC000421832406 1083433348 /nfs/dbraw/zinc/43/33/48/1083433348.db2.gz MLYZTLQCCDOXLW-LQWHRVPQSA-N 2 1 355.551 4.063 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)[C@H]1c1cccs1 ZINC000421832406 1083433350 /nfs/dbraw/zinc/43/33/50/1083433350.db2.gz MLYZTLQCCDOXLW-LQWHRVPQSA-N 2 1 355.551 4.063 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000548483603 1083466673 /nfs/dbraw/zinc/46/66/73/1083466673.db2.gz VLXBSXCSTKXHLL-PXNSSMCTSA-N 2 1 356.485 4.225 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000510959372 1083537476 /nfs/dbraw/zinc/53/74/76/1083537476.db2.gz OMMNIAJJRIXWJU-HNNXBMFYSA-N 2 1 354.523 4.288 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000535669410 1083566600 /nfs/dbraw/zinc/56/66/00/1083566600.db2.gz QITHOBQOAHWION-UHFFFAOYSA-N 2 1 350.304 4.255 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000535669410 1083566605 /nfs/dbraw/zinc/56/66/05/1083566605.db2.gz QITHOBQOAHWION-UHFFFAOYSA-N 2 1 350.304 4.255 20 0 FIADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000548909450 1083632031 /nfs/dbraw/zinc/63/20/31/1083632031.db2.gz BKRKNMQNRAKYLM-LJQANCHMSA-N 2 1 366.553 4.045 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000548909450 1083632056 /nfs/dbraw/zinc/63/20/56/1083632056.db2.gz BKRKNMQNRAKYLM-LJQANCHMSA-N 2 1 366.553 4.045 20 0 FIADMP COCCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000375851699 1083689128 /nfs/dbraw/zinc/68/91/28/1083689128.db2.gz LXPTYGFYOOPTCB-VOBGVNJCSA-N 2 1 350.934 4.065 20 0 FIADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000535808497 1083694080 /nfs/dbraw/zinc/69/40/80/1083694080.db2.gz IKYBXVNTYPRJTK-UNMCSNQZSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000535808497 1083694085 /nfs/dbraw/zinc/69/40/85/1083694085.db2.gz IKYBXVNTYPRJTK-UNMCSNQZSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000535808497 1083694086 /nfs/dbraw/zinc/69/40/86/1083694086.db2.gz IKYBXVNTYPRJTK-UNMCSNQZSA-N 2 1 360.505 4.049 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000510985439 1083699595 /nfs/dbraw/zinc/69/95/95/1083699595.db2.gz MBXVHJSSMCOPOU-NBCNXNJRSA-N 2 1 368.496 4.464 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000510985439 1083699599 /nfs/dbraw/zinc/69/95/99/1083699599.db2.gz MBXVHJSSMCOPOU-NBCNXNJRSA-N 2 1 368.496 4.464 20 0 FIADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1Cl ZINC000090453531 1083763426 /nfs/dbraw/zinc/76/34/26/1083763426.db2.gz YYVJLCVPPJIGOH-FQEVSTJZSA-N 2 1 350.934 4.414 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)c1 ZINC000065976545 1083904029 /nfs/dbraw/zinc/90/40/29/1083904029.db2.gz LGEQHXOAFGEEED-UHFFFAOYSA-N 2 1 354.523 4.268 20 0 FIADMP C[NH+]1CCC([NH2+]CC(C)(C)Sc2ccc(Br)cc2)CC1 ZINC000177384235 1083929819 /nfs/dbraw/zinc/92/98/19/1083929819.db2.gz BJXKITDUJNZLDG-UHFFFAOYSA-N 2 1 357.361 4.004 20 0 FIADMP Fc1ccc(OCc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000647231596 1084058064 /nfs/dbraw/zinc/05/80/64/1084058064.db2.gz DMAUFCXZJHOKSA-SFTDATJTSA-N 2 1 354.469 4.121 20 0 FIADMP O=c1[nH]c(Cl)c(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)s1 ZINC001279688525 1084081133 /nfs/dbraw/zinc/08/11/33/1084081133.db2.gz RQVRUTQPMAWSJG-UHFFFAOYSA-N 2 1 369.962 4.123 20 0 FIADMP O=c1[nH]c(Cl)c(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)s1 ZINC001279688525 1084081149 /nfs/dbraw/zinc/08/11/49/1084081149.db2.gz RQVRUTQPMAWSJG-UHFFFAOYSA-N 2 1 369.962 4.123 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000511014525 1084168772 /nfs/dbraw/zinc/16/87/72/1084168772.db2.gz MIMATARABQMFHK-OAQYLSRUSA-N 2 1 355.432 4.433 20 0 FIADMP COc1ccc(C[NH+](C)C)cc1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582029661 1084484245 /nfs/dbraw/zinc/48/42/45/1084484245.db2.gz GDWWGUANAKGSNB-NQIIRXRSSA-N 2 1 367.537 4.079 20 0 FIADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000119742656 1084529083 /nfs/dbraw/zinc/52/90/83/1084529083.db2.gz QTWOLCYLWHRLKV-UHFFFAOYSA-N 2 1 350.462 4.177 20 0 FIADMP Fc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)cc1 ZINC000657333994 1084615346 /nfs/dbraw/zinc/61/53/46/1084615346.db2.gz IAHBCYRLAPPSEA-UHFFFAOYSA-N 2 1 355.457 4.120 20 0 FIADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657336780 1084627800 /nfs/dbraw/zinc/62/78/00/1084627800.db2.gz WOUWVHCRLAHQBI-UHFFFAOYSA-N 2 1 357.473 4.367 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657348226 1084670438 /nfs/dbraw/zinc/67/04/38/1084670438.db2.gz OMNZWSWXIWVCRA-GOSISDBHSA-N 2 1 357.473 4.223 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657348226 1084670445 /nfs/dbraw/zinc/67/04/45/1084670445.db2.gz OMNZWSWXIWVCRA-GOSISDBHSA-N 2 1 357.473 4.223 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141544 1084697247 /nfs/dbraw/zinc/69/72/47/1084697247.db2.gz QXTUKTBSKSVRKX-MQSCRBSSSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141544 1084697253 /nfs/dbraw/zinc/69/72/53/1084697253.db2.gz QXTUKTBSKSVRKX-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141544 1084697256 /nfs/dbraw/zinc/69/72/56/1084697256.db2.gz QXTUKTBSKSVRKX-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141544 1084697258 /nfs/dbraw/zinc/69/72/58/1084697258.db2.gz QXTUKTBSKSVRKX-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000582141544 1084697263 /nfs/dbraw/zinc/69/72/63/1084697263.db2.gz QXTUKTBSKSVRKX-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366243 1084751347 /nfs/dbraw/zinc/75/13/47/1084751347.db2.gz KHBWHTXLBOMYTL-KANFNMMFSA-N 2 1 370.459 4.245 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CO1 ZINC000657366243 1084751355 /nfs/dbraw/zinc/75/13/55/1084751355.db2.gz KHBWHTXLBOMYTL-KANFNMMFSA-N 2 1 370.459 4.245 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558352 1084798597 /nfs/dbraw/zinc/79/85/97/1084798597.db2.gz MIMGUDWVEKPXQQ-DNVCBOLYSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558352 1084798607 /nfs/dbraw/zinc/79/86/07/1084798607.db2.gz MIMGUDWVEKPXQQ-DNVCBOLYSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558352 1084798614 /nfs/dbraw/zinc/79/86/14/1084798614.db2.gz MIMGUDWVEKPXQQ-DNVCBOLYSA-N 2 1 365.359 4.490 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001167558352 1084798623 /nfs/dbraw/zinc/79/86/23/1084798623.db2.gz MIMGUDWVEKPXQQ-DNVCBOLYSA-N 2 1 365.359 4.490 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000511095570 1084814118 /nfs/dbraw/zinc/81/41/18/1084814118.db2.gz WPCCBCCOUKAZGD-LJQANCHMSA-N 2 1 374.532 4.402 20 0 FIADMP CCn1ccnc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000582281952 1084834199 /nfs/dbraw/zinc/83/41/99/1084834199.db2.gz YLUFXUBJDBEWKL-JOCHJYFZSA-N 2 1 366.553 4.026 20 0 FIADMP CCn1ccnc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000582281952 1084834203 /nfs/dbraw/zinc/83/42/03/1084834203.db2.gz YLUFXUBJDBEWKL-JOCHJYFZSA-N 2 1 366.553 4.026 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534918 1084901390 /nfs/dbraw/zinc/90/13/90/1084901390.db2.gz DLIWFRZXCCWGLX-OLZOCXBDSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534918 1084901394 /nfs/dbraw/zinc/90/13/94/1084901394.db2.gz DLIWFRZXCCWGLX-OLZOCXBDSA-N 2 1 351.288 4.188 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2cc(Br)ccc2o1 ZINC000044534918 1084901398 /nfs/dbraw/zinc/90/13/98/1084901398.db2.gz DLIWFRZXCCWGLX-OLZOCXBDSA-N 2 1 351.288 4.188 20 0 FIADMP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000237091266 1085034632 /nfs/dbraw/zinc/03/46/32/1085034632.db2.gz ORAHGQCHBYGDNO-UHFFFAOYSA-N 2 1 353.510 4.279 20 0 FIADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)cc2)n1 ZINC000660677421 1085215529 /nfs/dbraw/zinc/21/55/29/1085215529.db2.gz ZORPVKANIOSJSG-UHFFFAOYSA-N 2 1 374.532 4.243 20 0 FIADMP c1c2cnccc2oc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000651648623 1085288612 /nfs/dbraw/zinc/28/86/12/1085288612.db2.gz DHVLANKJFNGZAM-UHFFFAOYSA-N 2 1 361.489 4.316 20 0 FIADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000549528412 1085366968 /nfs/dbraw/zinc/36/69/68/1085366968.db2.gz XZARLXYKYMHOPJ-UIFIKXQLSA-N 2 1 358.526 4.022 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000582681515 1085367454 /nfs/dbraw/zinc/36/74/54/1085367454.db2.gz YIWUAVMEGBNDOG-RYRKJORJSA-N 2 1 373.928 4.305 20 0 FIADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000549528413 1085367771 /nfs/dbraw/zinc/36/77/71/1085367771.db2.gz XZARLXYKYMHOPJ-WMQCIHAUSA-N 2 1 358.526 4.022 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(OC)c(OC)c1 ZINC000123929549 1085400096 /nfs/dbraw/zinc/40/00/96/1085400096.db2.gz JLHCKDRXYHQIGS-HXUWFJFHSA-N 2 1 356.510 4.396 20 0 FIADMP c1ccc(COc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000236718784 1085505392 /nfs/dbraw/zinc/50/53/92/1085505392.db2.gz SSOZHQDBXAMPFW-UHFFFAOYSA-N 2 1 350.506 4.230 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661428817 1085566898 /nfs/dbraw/zinc/56/68/98/1085566898.db2.gz UJCAAXQEPKYBPN-FQEVSTJZSA-N 2 1 361.917 4.007 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000657595928 1085664736 /nfs/dbraw/zinc/66/47/36/1085664736.db2.gz SSFMWTRWLWSYKY-RUZDIDTESA-N 2 1 372.512 4.210 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784587 1085722473 /nfs/dbraw/zinc/72/24/73/1085722473.db2.gz DFBLSLGDSCXFTI-PKTZIBPZSA-N 2 1 364.533 4.031 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000582784587 1085722485 /nfs/dbraw/zinc/72/24/85/1085722485.db2.gz DFBLSLGDSCXFTI-PKTZIBPZSA-N 2 1 364.533 4.031 20 0 FIADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000582809266 1085745741 /nfs/dbraw/zinc/74/57/41/1085745741.db2.gz MTIJHKOMTGMNBT-AWEZNQCLSA-N 2 1 365.880 4.055 20 0 FIADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814019 1085762755 /nfs/dbraw/zinc/76/27/55/1085762755.db2.gz WYTAOERGJJKUNT-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814019 1085762764 /nfs/dbraw/zinc/76/27/64/1085762764.db2.gz WYTAOERGJJKUNT-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814019 1085762774 /nfs/dbraw/zinc/76/27/74/1085762774.db2.gz WYTAOERGJJKUNT-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814019 1085762786 /nfs/dbraw/zinc/76/27/86/1085762786.db2.gz WYTAOERGJJKUNT-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000582814019 1085762790 /nfs/dbraw/zinc/76/27/90/1085762790.db2.gz WYTAOERGJJKUNT-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000161420176 1085773967 /nfs/dbraw/zinc/77/39/67/1085773967.db2.gz WWLOGZKPXRHTOM-LJQANCHMSA-N 2 1 371.352 4.414 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000652247431 1085775462 /nfs/dbraw/zinc/77/54/62/1085775462.db2.gz KSDXSWCJOHLWFH-XPPIMPSXSA-N 2 1 356.554 4.224 20 0 FIADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000582912830 1085914373 /nfs/dbraw/zinc/91/43/73/1085914373.db2.gz ISLBRVLBTGKOKS-UHFFFAOYSA-N 2 1 351.416 4.251 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)C1 ZINC000652348449 1085927273 /nfs/dbraw/zinc/92/72/73/1085927273.db2.gz FESKZTPOJRTARD-JFIYKMOQSA-N 2 1 368.974 4.041 20 0 FIADMP COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647381 1086023354 /nfs/dbraw/zinc/02/33/54/1086023354.db2.gz MBWRTMSTDMLFLE-GMAHTHKFSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647381 1086023366 /nfs/dbraw/zinc/02/33/66/1086023366.db2.gz MBWRTMSTDMLFLE-GMAHTHKFSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001167647381 1086023378 /nfs/dbraw/zinc/02/33/78/1086023378.db2.gz MBWRTMSTDMLFLE-GMAHTHKFSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001167647381 1086023391 /nfs/dbraw/zinc/02/33/91/1086023391.db2.gz MBWRTMSTDMLFLE-GMAHTHKFSA-N 2 1 350.506 4.182 20 0 FIADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001167647381 1086023400 /nfs/dbraw/zinc/02/34/00/1086023400.db2.gz MBWRTMSTDMLFLE-GMAHTHKFSA-N 2 1 350.506 4.182 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cnc4ccsc4c3)CC2)nc(C)[nH+]1 ZINC000162296453 1086032763 /nfs/dbraw/zinc/03/27/63/1086032763.db2.gz ZYXYUJUNAZUMNA-CQSZACIVSA-N 2 1 367.522 4.023 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000247167407 1086150950 /nfs/dbraw/zinc/15/09/50/1086150950.db2.gz UMKVFLYSISMJED-KNKQGSTJSA-N 2 1 362.558 4.261 20 0 FIADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293728 1086399928 /nfs/dbraw/zinc/39/99/28/1086399928.db2.gz MMNVSZOITBJOGU-HOCLYGCPSA-N 2 1 362.468 4.204 20 0 FIADMP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662295985 1086401571 /nfs/dbraw/zinc/40/15/71/1086401571.db2.gz JPTDAFQCXQCXPM-KRWDZBQOSA-N 2 1 359.901 4.207 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H]1CCC[NH3+] ZINC000662317585 1086412834 /nfs/dbraw/zinc/41/28/34/1086412834.db2.gz SEGXNMNKIUANNK-XMSQKQJNSA-N 2 1 353.510 4.000 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCOc4ccccc43)CC2)oc1C ZINC000162762257 1086472515 /nfs/dbraw/zinc/47/25/15/1086472515.db2.gz FEQUZTYJOQQPPR-HXUWFJFHSA-N 2 1 369.509 4.007 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000511974144 1086487585 /nfs/dbraw/zinc/48/75/85/1086487585.db2.gz SLCXWAYPBXFPNB-UHFFFAOYSA-N 2 1 369.456 4.045 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663441084 1086543760 /nfs/dbraw/zinc/54/37/60/1086543760.db2.gz VBHZDLMPQFASDA-OAHLLOKOSA-N 2 1 366.328 4.171 20 0 FIADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468200 1086572174 /nfs/dbraw/zinc/57/21/74/1086572174.db2.gz KEXYRMCICPRMFR-DZGCQCFKSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468200 1086572185 /nfs/dbraw/zinc/57/21/85/1086572185.db2.gz KEXYRMCICPRMFR-DZGCQCFKSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468200 1086572193 /nfs/dbraw/zinc/57/21/93/1086572193.db2.gz KEXYRMCICPRMFR-DZGCQCFKSA-N 2 1 356.432 4.200 20 0 FIADMP Cc1ccccc1-c1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751771 1086572166 /nfs/dbraw/zinc/57/21/66/1086572166.db2.gz KBDHLNHEOAHOTJ-NRFANRHFSA-N 2 1 350.506 4.005 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000663475333 1086582816 /nfs/dbraw/zinc/58/28/16/1086582816.db2.gz VTZMWRBXLOSQRJ-CYBMUJFWSA-N 2 1 360.383 4.445 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc(-c3ccccc3)c2)s1 ZINC000512003820 1086629100 /nfs/dbraw/zinc/62/91/00/1086629100.db2.gz AUYUMHGSWHUTPL-UHFFFAOYSA-N 2 1 351.519 4.204 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167833457 1086666055 /nfs/dbraw/zinc/66/60/55/1086666055.db2.gz BHTZUCORNZFWOM-GMAHTHKFSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167833457 1086666058 /nfs/dbraw/zinc/66/60/58/1086666058.db2.gz BHTZUCORNZFWOM-GMAHTHKFSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167833457 1086666060 /nfs/dbraw/zinc/66/60/60/1086666060.db2.gz BHTZUCORNZFWOM-GMAHTHKFSA-N 3 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833457 1086666063 /nfs/dbraw/zinc/66/60/63/1086666063.db2.gz BHTZUCORNZFWOM-GMAHTHKFSA-N 2 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167833457 1086666065 /nfs/dbraw/zinc/66/60/65/1086666065.db2.gz BHTZUCORNZFWOM-GMAHTHKFSA-N 2 1 357.586 4.095 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001167834492 1086683125 /nfs/dbraw/zinc/68/31/25/1086683125.db2.gz KPSZLRLRRFLATI-LJQANCHMSA-N 2 1 363.565 4.232 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167835215 1086700282 /nfs/dbraw/zinc/70/02/82/1086700282.db2.gz OWFSGGDLDGBVCV-NQIIRXRSSA-N 2 1 369.594 4.124 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001167835209 1086700991 /nfs/dbraw/zinc/70/09/91/1086700991.db2.gz OTKUTWXGEVYGGK-QUCCMNQESA-N 2 1 372.557 4.009 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001167838250 1086711904 /nfs/dbraw/zinc/71/19/04/1086711904.db2.gz SNJPBYITHWHYDQ-FXAWDEMLSA-N 2 1 352.950 4.398 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001167840672 1086726892 /nfs/dbraw/zinc/72/68/92/1086726892.db2.gz HLNAGCOWXKPYDF-LJQANCHMSA-N 3 1 363.565 4.232 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001167840672 1086726895 /nfs/dbraw/zinc/72/68/95/1086726895.db2.gz HLNAGCOWXKPYDF-LJQANCHMSA-N 3 1 363.565 4.232 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CCCN2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432409658 1086731154 /nfs/dbraw/zinc/73/11/54/1086731154.db2.gz HUFKTFOPZPZIEB-REWPJTCUSA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432409658 1086731155 /nfs/dbraw/zinc/73/11/55/1086731155.db2.gz HUFKTFOPZPZIEB-REWPJTCUSA-N 2 1 352.522 4.175 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432409658 1086731156 /nfs/dbraw/zinc/73/11/56/1086731156.db2.gz HUFKTFOPZPZIEB-REWPJTCUSA-N 2 1 352.522 4.175 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167841740 1086739230 /nfs/dbraw/zinc/73/92/30/1086739230.db2.gz PZHOLNHBJFOKKR-MOPGFXCFSA-N 2 1 369.594 4.076 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422384 1086747830 /nfs/dbraw/zinc/74/78/30/1086747830.db2.gz SXRYRPBMZNVWMJ-CTNGQTDRSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CCCO1 ZINC000432422384 1086747839 /nfs/dbraw/zinc/74/78/39/1086747839.db2.gz SXRYRPBMZNVWMJ-CTNGQTDRSA-N 2 1 372.553 4.304 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423152 1086751077 /nfs/dbraw/zinc/75/10/77/1086751077.db2.gz IMQLIEFOSWEEID-RTWAWAEBSA-N 2 1 366.549 4.298 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C(c1ccccc1)c1ccccc1 ZINC000432423152 1086751081 /nfs/dbraw/zinc/75/10/81/1086751081.db2.gz IMQLIEFOSWEEID-RTWAWAEBSA-N 2 1 366.549 4.298 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001167842546 1086754202 /nfs/dbraw/zinc/75/42/02/1086754202.db2.gz YJMKLDZTSYWLCP-NNWRFLSQSA-N 2 1 374.569 4.308 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)C[C@H](C)O1 ZINC000512089819 1086755583 /nfs/dbraw/zinc/75/55/83/1086755583.db2.gz SZDAUVXDTRZHAS-HDICACEKSA-N 2 1 364.489 4.332 20 0 FIADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428661 1086756880 /nfs/dbraw/zinc/75/68/80/1086756880.db2.gz MNJGTESTKRWADS-SCLBCKFNSA-N 2 1 357.325 4.071 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428661 1086756886 /nfs/dbraw/zinc/75/68/86/1086756886.db2.gz MNJGTESTKRWADS-SCLBCKFNSA-N 2 1 357.325 4.071 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)CCCO1 ZINC000432438712 1086769518 /nfs/dbraw/zinc/76/95/18/1086769518.db2.gz BWWNYPGWLVSIHF-NFBKMPQASA-N 2 1 352.522 4.061 20 0 FIADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1ccc(C(F)(F)F)cc1 ZINC000650724478 1086836401 /nfs/dbraw/zinc/83/64/01/1086836401.db2.gz HAVLNZVUDXXYLF-FDPIWHGQSA-N 2 1 370.459 4.170 20 0 FIADMP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000279216228 1086874589 /nfs/dbraw/zinc/87/45/89/1086874589.db2.gz MZVOGXCKARHBDZ-ROUUACIJSA-N 2 1 357.542 4.120 20 0 FIADMP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000279216228 1086874607 /nfs/dbraw/zinc/87/46/07/1086874607.db2.gz MZVOGXCKARHBDZ-ROUUACIJSA-N 2 1 357.542 4.120 20 0 FIADMP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000279216228 1086874621 /nfs/dbraw/zinc/87/46/21/1086874621.db2.gz MZVOGXCKARHBDZ-ROUUACIJSA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000583663671 1086907133 /nfs/dbraw/zinc/90/71/33/1086907133.db2.gz QEXOWUIFHAMUMQ-UNMCSNQZSA-N 2 1 368.569 4.287 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2F)s1 ZINC000151362707 1087093259 /nfs/dbraw/zinc/09/32/59/1087093259.db2.gz WFMFQNADDULKDR-OAHLLOKOSA-N 2 1 362.514 4.052 20 0 FIADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000584020966 1087113076 /nfs/dbraw/zinc/11/30/76/1087113076.db2.gz AKDZNJBTJXXWQS-CQSZACIVSA-N 2 1 357.325 4.166 20 0 FIADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000584041232 1087126940 /nfs/dbraw/zinc/12/69/40/1087126940.db2.gz HMFSAXUNOOFTGP-GJZGRUSLSA-N 2 1 371.352 4.315 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584173223 1087201294 /nfs/dbraw/zinc/20/12/94/1087201294.db2.gz ZVXKTDOBRPKQHA-JPYJTQIMSA-N 2 1 363.505 4.075 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2cc1OC ZINC000657837227 1087238915 /nfs/dbraw/zinc/23/89/15/1087238915.db2.gz FMHDZDIMDAYRCM-BEVDRBHNSA-N 2 1 354.494 4.134 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2cc1OC ZINC000657837227 1087238917 /nfs/dbraw/zinc/23/89/17/1087238917.db2.gz FMHDZDIMDAYRCM-BEVDRBHNSA-N 2 1 354.494 4.134 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2cc1OC ZINC000657839565 1087267092 /nfs/dbraw/zinc/26/70/92/1087267092.db2.gz CEOWKLFVPGAGOZ-RYGJVYDSSA-N 2 1 354.494 4.134 20 0 FIADMP Cc1nc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)sc1C ZINC000892380378 1087362886 /nfs/dbraw/zinc/36/28/86/1087362886.db2.gz ODFHZGWIKIJUTN-UHFFFAOYSA-N 2 1 358.555 4.150 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)oc21 ZINC000708545753 1087439825 /nfs/dbraw/zinc/43/98/25/1087439825.db2.gz VJDMYRWBTOKMIP-XLIONFOSSA-N 2 1 364.489 4.299 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)oc21 ZINC000708545753 1087439833 /nfs/dbraw/zinc/43/98/33/1087439833.db2.gz VJDMYRWBTOKMIP-XLIONFOSSA-N 2 1 364.489 4.299 20 0 FIADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(O)cc2)cc1 ZINC000685451276 1087571273 /nfs/dbraw/zinc/57/12/73/1087571273.db2.gz YUYMVBUCKXGMQA-UHFFFAOYSA-N 2 1 365.477 4.080 20 0 FIADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470344 1087577836 /nfs/dbraw/zinc/57/78/36/1087577836.db2.gz HIVURJHGMAQTIL-CVDCTZTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470344 1087577838 /nfs/dbraw/zinc/57/78/38/1087577838.db2.gz HIVURJHGMAQTIL-CVDCTZTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470344 1087577842 /nfs/dbraw/zinc/57/78/42/1087577842.db2.gz HIVURJHGMAQTIL-CVDCTZTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470344 1087577845 /nfs/dbraw/zinc/57/78/45/1087577845.db2.gz HIVURJHGMAQTIL-CVDCTZTESA-N 2 1 361.533 4.462 20 0 FIADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685470344 1087577848 /nfs/dbraw/zinc/57/78/48/1087577848.db2.gz HIVURJHGMAQTIL-CVDCTZTESA-N 2 1 361.533 4.462 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000685602036 1087638858 /nfs/dbraw/zinc/63/88/58/1087638858.db2.gz UYOZMMCAMSNDMV-QGZVFWFLSA-N 2 1 353.432 4.457 20 0 FIADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000685644945 1087655724 /nfs/dbraw/zinc/65/57/24/1087655724.db2.gz LUGMTANXFGPNBK-XPNTWCBSSA-N 2 1 350.506 4.195 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658136381 1087724641 /nfs/dbraw/zinc/72/46/41/1087724641.db2.gz GYXYEVUFTKRUHK-KNQAVFIVSA-N 2 1 374.475 4.018 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CCC2)cc1 ZINC000658141947 1087733848 /nfs/dbraw/zinc/73/38/48/1087733848.db2.gz YCMFBMKFLKGGMI-DNQXCXABSA-N 2 1 364.533 4.193 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138440 1087743450 /nfs/dbraw/zinc/74/34/50/1087743450.db2.gz NKRUEKQGOBFRCF-FYYLOGMGSA-N 2 1 364.533 4.037 20 0 FIADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424299977 1087904652 /nfs/dbraw/zinc/90/46/52/1087904652.db2.gz WIPQLYAIALFVON-CQSZACIVSA-N 2 1 361.942 4.428 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424280373 1087909886 /nfs/dbraw/zinc/90/98/86/1087909886.db2.gz HEWBRGRPJNWZME-WOJBJXKFSA-N 2 1 357.567 4.385 20 0 FIADMP C[C@H]1CC2(C[N@@H+]1Cc1cc(Br)c(Cl)s1)CC[NH2+]CC2 ZINC000424388005 1087969939 /nfs/dbraw/zinc/96/99/39/1087969939.db2.gz YVVSOYQQDZATFG-JTQLQIEISA-N 2 1 363.752 4.128 20 0 FIADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)c(Cl)s1)CC[NH2+]CC2 ZINC000424388005 1087969945 /nfs/dbraw/zinc/96/99/45/1087969945.db2.gz YVVSOYQQDZATFG-JTQLQIEISA-N 2 1 363.752 4.128 20 0 FIADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000057889714 1088048078 /nfs/dbraw/zinc/04/80/78/1088048078.db2.gz FBZPAJDESQENSI-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@H]1c1ccccc1 ZINC000423443161 1088238473 /nfs/dbraw/zinc/23/84/73/1088238473.db2.gz QHEDCPQYFDJWCR-JBACZVJFSA-N 2 1 365.521 4.296 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[C@H]1c1ccccc1 ZINC000423443161 1088238489 /nfs/dbraw/zinc/23/84/89/1088238489.db2.gz QHEDCPQYFDJWCR-JBACZVJFSA-N 2 1 365.521 4.296 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000659284823 1088421723 /nfs/dbraw/zinc/42/17/23/1088421723.db2.gz HQIDJRNTLLIJSR-VGSWGCGISA-N 2 1 363.505 4.092 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c(F)cn1 ZINC000580205855 1088525714 /nfs/dbraw/zinc/52/57/14/1088525714.db2.gz GMARPERVOJILMG-QGZVFWFLSA-N 2 1 371.500 4.312 20 0 FIADMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504040 1088686244 /nfs/dbraw/zinc/68/62/44/1088686244.db2.gz RTALGWKULMKDBV-DYESRHJHSA-N 2 1 355.913 4.176 20 0 FIADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000434504040 1088686249 /nfs/dbraw/zinc/68/62/49/1088686249.db2.gz RTALGWKULMKDBV-DYESRHJHSA-N 2 1 355.913 4.176 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000188061656 1088708224 /nfs/dbraw/zinc/70/82/24/1088708224.db2.gz NVEPWWMIGQOZEZ-XOBRGWDASA-N 2 1 351.425 4.494 20 0 FIADMP FC(F)(F)Oc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000514099053 1088768025 /nfs/dbraw/zinc/76/80/25/1088768025.db2.gz LIZXJBLDCAZZIH-SFHVURJKSA-N 2 1 354.416 4.253 20 0 FIADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000514129806 1088775208 /nfs/dbraw/zinc/77/52/08/1088775208.db2.gz BTEARYHEHMXBCS-GOSISDBHSA-N 2 1 353.510 4.321 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514237545 1088930718 /nfs/dbraw/zinc/93/07/18/1088930718.db2.gz JWGYGGVFVNZBDS-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514237545 1088930721 /nfs/dbraw/zinc/93/07/21/1088930721.db2.gz JWGYGGVFVNZBDS-CQSZACIVSA-N 2 1 352.400 4.397 20 0 FIADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000514248769 1088944457 /nfs/dbraw/zinc/94/44/57/1088944457.db2.gz VOJSUKMCJHGUSZ-RIFZZMRRSA-N 2 1 350.934 4.270 20 0 FIADMP CC(C)Oc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434756630 1089024433 /nfs/dbraw/zinc/02/44/33/1089024433.db2.gz ZKJBSRJXSIYRNU-UHFFFAOYSA-N 2 1 353.510 4.386 20 0 FIADMP CCc1ccccc1[C@@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000415044208 1089083818 /nfs/dbraw/zinc/08/38/18/1089083818.db2.gz BLIWTZSOCJKAGQ-IFBIMPTNSA-N 2 1 363.549 4.034 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)cc1 ZINC000312433111 1089085119 /nfs/dbraw/zinc/08/51/19/1089085119.db2.gz AWDPONKOOCUEFQ-QFIPXVFZSA-N 2 1 363.549 4.157 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059371 1089096186 /nfs/dbraw/zinc/09/61/86/1089096186.db2.gz WTXIQLRFNYGQDB-RBBKRZOGSA-N 2 1 350.506 4.326 20 0 FIADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC[NH2+]2)cc1 ZINC000415074710 1089126391 /nfs/dbraw/zinc/12/63/91/1089126391.db2.gz AQTZQLVSYDZICU-FCHUYYIVSA-N 2 1 364.537 4.045 20 0 FIADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415087326 1089145604 /nfs/dbraw/zinc/14/56/04/1089145604.db2.gz VZVBTVVYAPICLB-PMACEKPBSA-N 2 1 368.521 4.064 20 0 FIADMP Brc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000415090978 1089155217 /nfs/dbraw/zinc/15/52/17/1089155217.db2.gz YHLPJDJVOJMYCE-ZFWWWQNUSA-N 2 1 351.313 4.094 20 0 FIADMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc2cccnc12 ZINC000435057373 1089245101 /nfs/dbraw/zinc/24/51/01/1089245101.db2.gz BPYSNBJKOPVJMV-UHFFFAOYSA-N 2 1 360.505 4.456 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000514602034 1089257821 /nfs/dbraw/zinc/25/78/21/1089257821.db2.gz DJSNIDXZKDSVKJ-KNQAVFIVSA-N 2 1 374.532 4.158 20 0 FIADMP COc1ccccc1CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000505613095 1089303692 /nfs/dbraw/zinc/30/36/92/1089303692.db2.gz PPFLRANVYOPWRY-UHFFFAOYSA-N 2 1 352.522 4.224 20 0 FIADMP COc1ccccc1CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000505613095 1089303701 /nfs/dbraw/zinc/30/37/01/1089303701.db2.gz PPFLRANVYOPWRY-UHFFFAOYSA-N 2 1 352.522 4.224 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549237098 1089317949 /nfs/dbraw/zinc/31/79/49/1089317949.db2.gz JTVCHWFGUAHTKX-UASUFHIXSA-N 2 1 350.934 4.267 20 0 FIADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000472777374 1089434139 /nfs/dbraw/zinc/43/41/39/1089434139.db2.gz YPFGIGISYWVLEU-UHFFFAOYSA-N 2 1 374.573 4.305 20 0 FIADMP CCC[NH+](CC)CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000472777374 1089434141 /nfs/dbraw/zinc/43/41/41/1089434141.db2.gz YPFGIGISYWVLEU-UHFFFAOYSA-N 2 1 374.573 4.305 20 0 FIADMP CCC[NH+](CC)CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000472777374 1089434147 /nfs/dbraw/zinc/43/41/47/1089434147.db2.gz YPFGIGISYWVLEU-UHFFFAOYSA-N 2 1 374.573 4.305 20 0 FIADMP COCc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435420495 1089635361 /nfs/dbraw/zinc/63/53/61/1089635361.db2.gz DGEZRDWOKKFGSO-FQEVSTJZSA-N 2 1 356.535 4.039 20 0 FIADMP Cc1oc2ccccc2c1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435424665 1089639806 /nfs/dbraw/zinc/63/98/06/1089639806.db2.gz WPFIOSAAFHWPKX-IBGZPJMESA-N 2 1 367.518 4.342 20 0 FIADMP Cc1oc2ccccc2c1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435424665 1089639811 /nfs/dbraw/zinc/63/98/11/1089639811.db2.gz WPFIOSAAFHWPKX-IBGZPJMESA-N 2 1 367.518 4.342 20 0 FIADMP c1cc(C[N@@H+](Cc2ccc3ccccc3n2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435681018 1089839315 /nfs/dbraw/zinc/83/93/15/1089839315.db2.gz JBLDUDNDCCOFKD-OAQYLSRUSA-N 2 1 363.530 4.441 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3C[C@H](c4cccc(F)c4)C3)sc2C1 ZINC000435727330 1089900781 /nfs/dbraw/zinc/90/07/81/1089900781.db2.gz WGHRBTKWNBTPIY-JCNLHEQBSA-N 2 1 359.514 4.085 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3C[C@H](c4cccc(F)c4)C3)sc2C1 ZINC000435727330 1089900784 /nfs/dbraw/zinc/90/07/84/1089900784.db2.gz WGHRBTKWNBTPIY-JCNLHEQBSA-N 2 1 359.514 4.085 20 0 FIADMP COCC[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549421570 1090317954 /nfs/dbraw/zinc/31/79/54/1090317954.db2.gz ROBDRBHKHNGFOY-XMMBUWISSA-N 2 1 350.934 4.269 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccn2)cc1C[NH+]1CCCCC1 ZINC000182194481 1090335611 /nfs/dbraw/zinc/33/56/11/1090335611.db2.gz KQOGCUIAOHBVTL-ROUUACIJSA-N 2 1 353.510 4.488 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000312305920 1090526751 /nfs/dbraw/zinc/52/67/51/1090526751.db2.gz ZCKLDHLLWACQOZ-FQEVSTJZSA-N 2 1 373.541 4.485 20 0 FIADMP COc1ccc([C@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413480 1090707068 /nfs/dbraw/zinc/70/70/68/1090707068.db2.gz GFXJSTVWCCTHSC-FDDCHVKYSA-N 2 1 368.521 4.267 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413480 1090707080 /nfs/dbraw/zinc/70/70/80/1090707080.db2.gz GFXJSTVWCCTHSC-FDDCHVKYSA-N 2 1 368.521 4.267 20 0 FIADMP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000584688004 1090719820 /nfs/dbraw/zinc/71/98/20/1090719820.db2.gz XZZPZBOCYQUEOY-NRFANRHFSA-N 2 1 364.537 4.013 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000584860194 1090954530 /nfs/dbraw/zinc/95/45/30/1090954530.db2.gz ONWOCACRCVJBFG-ZDUSSCGKSA-N 2 1 368.294 4.094 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 ZINC000512215149 1091915925 /nfs/dbraw/zinc/91/59/25/1091915925.db2.gz VLYURKBVOBYDQF-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215149 1091915926 /nfs/dbraw/zinc/91/59/26/1091915926.db2.gz VLYURKBVOBYDQF-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215149 1091915931 /nfs/dbraw/zinc/91/59/31/1091915931.db2.gz VLYURKBVOBYDQF-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215149 1091915933 /nfs/dbraw/zinc/91/59/33/1091915933.db2.gz VLYURKBVOBYDQF-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215149 1091915937 /nfs/dbraw/zinc/91/59/37/1091915937.db2.gz VLYURKBVOBYDQF-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP COc1cccc([C@H](C)[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235736 1091945311 /nfs/dbraw/zinc/94/53/11/1091945311.db2.gz CVNPQRCSNPLVNW-CVDCTZTESA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@H](C)[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512235736 1091945315 /nfs/dbraw/zinc/94/53/15/1091945315.db2.gz CVNPQRCSNPLVNW-CVDCTZTESA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@H](C)[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235736 1091945318 /nfs/dbraw/zinc/94/53/18/1091945318.db2.gz CVNPQRCSNPLVNW-CVDCTZTESA-N 2 1 350.506 4.354 20 0 FIADMP COc1cccc([C@H](C)[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512235736 1091945323 /nfs/dbraw/zinc/94/53/23/1091945323.db2.gz CVNPQRCSNPLVNW-CVDCTZTESA-N 2 1 350.506 4.354 20 0 FIADMP COCc1ccccc1/C=C(\C)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512345382 1092092176 /nfs/dbraw/zinc/09/21/76/1092092176.db2.gz GJPRSEWLEJCQHF-YCMKHMOMSA-N 2 1 356.554 4.479 20 0 FIADMP C[C@@H]1C[C@@H](NCC[NH+](C)Cc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012505 1092339553 /nfs/dbraw/zinc/33/95/53/1092339553.db2.gz BCRBKECNTXGBTO-RUMRUAAYSA-N 2 1 365.565 4.150 20 0 FIADMP C[C@@H]1C[C@@H](NCC[N@H+](C)Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012505 1092339569 /nfs/dbraw/zinc/33/95/69/1092339569.db2.gz BCRBKECNTXGBTO-RUMRUAAYSA-N 2 1 365.565 4.150 20 0 FIADMP C[C@@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012505 1092339582 /nfs/dbraw/zinc/33/95/82/1092339582.db2.gz BCRBKECNTXGBTO-RUMRUAAYSA-N 2 1 365.565 4.150 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)Cc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012505 1092339593 /nfs/dbraw/zinc/33/95/93/1092339593.db2.gz BCRBKECNTXGBTO-RUMRUAAYSA-N 2 1 365.565 4.150 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)Cc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012505 1092339608 /nfs/dbraw/zinc/33/96/08/1092339608.db2.gz BCRBKECNTXGBTO-RUMRUAAYSA-N 2 1 365.565 4.150 20 0 FIADMP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccccc2)cc1OC ZINC000432792882 1092383245 /nfs/dbraw/zinc/38/32/45/1092383245.db2.gz MKUOIERCABJROC-HXUWFJFHSA-N 2 1 368.521 4.287 20 0 FIADMP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccccc2)cc1OC ZINC000432792882 1092383254 /nfs/dbraw/zinc/38/32/54/1092383254.db2.gz MKUOIERCABJROC-HXUWFJFHSA-N 2 1 368.521 4.287 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000432801626 1092425886 /nfs/dbraw/zinc/42/58/86/1092425886.db2.gz XGAUHZOVPPQOAR-FQEVSTJZSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000432801626 1092425891 /nfs/dbraw/zinc/42/58/91/1092425891.db2.gz XGAUHZOVPPQOAR-FQEVSTJZSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000432801434 1092428362 /nfs/dbraw/zinc/42/83/62/1092428362.db2.gz WMTULMOZHUQKGY-LJQANCHMSA-N 2 1 354.542 4.086 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000432801434 1092428374 /nfs/dbraw/zinc/42/83/74/1092428374.db2.gz WMTULMOZHUQKGY-LJQANCHMSA-N 2 1 354.542 4.086 20 0 FIADMP [NH3+][C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000665277183 1092504762 /nfs/dbraw/zinc/50/47/62/1092504762.db2.gz WEYUNZGNTFYORR-PMOQBDJRSA-N 2 1 361.533 4.023 20 0 FIADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000521229851 1092579309 /nfs/dbraw/zinc/57/93/09/1092579309.db2.gz JRUNTVBZOOIINU-HXUWFJFHSA-N 2 1 360.505 4.429 20 0 FIADMP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000521229851 1092579316 /nfs/dbraw/zinc/57/93/16/1092579316.db2.gz JRUNTVBZOOIINU-HXUWFJFHSA-N 2 1 360.505 4.429 20 0 FIADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCOC4(CCC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000639228353 1092675187 /nfs/dbraw/zinc/67/51/87/1092675187.db2.gz WITLRGKCTRSWKL-VCOUNFBDSA-N 2 1 354.538 4.293 20 0 FIADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCOC4(CCC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000639228353 1092675192 /nfs/dbraw/zinc/67/51/92/1092675192.db2.gz WITLRGKCTRSWKL-VCOUNFBDSA-N 2 1 354.538 4.293 20 0 FIADMP Clc1cccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)co2)c1 ZINC000047972135 1092742852 /nfs/dbraw/zinc/74/28/52/1092742852.db2.gz TURRLAVLIXTUOI-UHFFFAOYSA-N 2 1 359.901 4.303 20 0 FIADMP C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757687 1092750544 /nfs/dbraw/zinc/75/05/44/1092750544.db2.gz MTRIOGQYBICEKB-WCRBZPEASA-N 2 1 354.469 4.120 20 0 FIADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442878371 1092833809 /nfs/dbraw/zinc/83/38/09/1092833809.db2.gz STOBOLKHNKLYSG-GOSISDBHSA-N 2 1 371.491 4.018 20 0 FIADMP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)cc1C ZINC000246242238 1092942686 /nfs/dbraw/zinc/94/26/86/1092942686.db2.gz GICPCLIEOXADKA-CTNGQTDRSA-N 2 1 369.553 4.019 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000521844090 1092942715 /nfs/dbraw/zinc/94/27/15/1092942715.db2.gz LYRMMHJPFHZRKO-FQEVSTJZSA-N 2 1 374.532 4.279 20 0 FIADMP COc1cc(C[NH+](C)Cc2ccoc2)cc(C[N@H+](C)Cc2ccoc2)c1 ZINC000432938043 1092973172 /nfs/dbraw/zinc/97/31/72/1092973172.db2.gz MDYPHGFEPVDPMJ-UHFFFAOYSA-N 2 1 354.450 4.145 20 0 FIADMP COc1cc(C[NH+](C)Cc2ccoc2)cc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000432938043 1092973175 /nfs/dbraw/zinc/97/31/75/1092973175.db2.gz MDYPHGFEPVDPMJ-UHFFFAOYSA-N 2 1 354.450 4.145 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sc1C ZINC000512666368 1093105941 /nfs/dbraw/zinc/10/59/41/1093105941.db2.gz KFBQXQHTJHVQMR-NJDAHSKKSA-N 2 1 369.578 4.193 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1F ZINC000474050218 1093146252 /nfs/dbraw/zinc/14/62/52/1093146252.db2.gz GDPKWAMHDWXRCU-WSTZPKSXSA-N 2 1 357.473 4.005 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020322 1093204963 /nfs/dbraw/zinc/20/49/63/1093204963.db2.gz LZCCJLLJARFPMN-PMTGJVGFSA-N 2 1 350.506 4.411 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020322 1093204969 /nfs/dbraw/zinc/20/49/69/1093204969.db2.gz LZCCJLLJARFPMN-PMTGJVGFSA-N 2 1 350.506 4.411 20 0 FIADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248586892 1093276139 /nfs/dbraw/zinc/27/61/39/1093276139.db2.gz QGFIQQJXLFCAHU-CKFHNAJUSA-N 2 1 371.352 4.269 20 0 FIADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(C)cc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000512781964 1093332160 /nfs/dbraw/zinc/33/21/60/1093332160.db2.gz AOFQCQSHSPCTEL-GHTZIAJQSA-N 2 1 374.960 4.287 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2COc3ccc(F)cc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023363 1093355311 /nfs/dbraw/zinc/35/53/11/1093355311.db2.gz VTZOWBMSYLXUOO-NNNWTRQLSA-N 2 1 354.469 4.290 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024241 1093382161 /nfs/dbraw/zinc/38/21/61/1093382161.db2.gz CTCIOWWHGDTTIW-NXWNEQKCSA-N 2 1 352.522 4.354 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)cc2)C1 ZINC000433314729 1093568193 /nfs/dbraw/zinc/56/81/93/1093568193.db2.gz BWGAIHWYDLTGLJ-KRWDZBQOSA-N 2 1 364.493 4.191 20 0 FIADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000513019861 1093665398 /nfs/dbraw/zinc/66/53/98/1093665398.db2.gz INYIQCBNHFAVCB-GQCSXXPBSA-N 2 1 350.934 4.222 20 0 FIADMP C[C@@H]1CC(N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032982 1093681414 /nfs/dbraw/zinc/68/14/14/1093681414.db2.gz JHHOUJFWGZETEP-SFHLNBCPSA-N 2 1 355.570 4.035 20 0 FIADMP COc1ccc2nc(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)sc2c1 ZINC000474356216 1093707346 /nfs/dbraw/zinc/70/73/46/1093707346.db2.gz QKYPVBWRPHCCGU-UHFFFAOYSA-N 2 1 369.534 4.435 20 0 FIADMP COc1ccc2nc(C[NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)sc2c1 ZINC000474356216 1093707351 /nfs/dbraw/zinc/70/73/51/1093707351.db2.gz QKYPVBWRPHCCGU-UHFFFAOYSA-N 2 1 369.534 4.435 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513085338 1093787441 /nfs/dbraw/zinc/78/74/41/1093787441.db2.gz ZSPRBYNPFZOYSP-QUCCMNQESA-N 2 1 362.521 4.138 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513085338 1093787448 /nfs/dbraw/zinc/78/74/48/1093787448.db2.gz ZSPRBYNPFZOYSP-QUCCMNQESA-N 2 1 362.521 4.138 20 0 FIADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000729265699 1093953854 /nfs/dbraw/zinc/95/38/54/1093953854.db2.gz XATLENBGADSCOJ-UHFFFAOYSA-N 2 1 374.532 4.313 20 0 FIADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OCc1cccs1 ZINC000237111236 1093986880 /nfs/dbraw/zinc/98/68/80/1093986880.db2.gz CDOOFHOFTAUXIG-UHFFFAOYSA-N 2 1 374.550 4.298 20 0 FIADMP c1ccc(C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2cccnc2)nc1 ZINC000513364420 1094081118 /nfs/dbraw/zinc/08/11/18/1094081118.db2.gz HXJGSGOJERZISL-HSZRJFAPSA-N 2 1 364.537 4.147 20 0 FIADMP CCCn1nc(C)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513495467 1094162155 /nfs/dbraw/zinc/16/21/55/1094162155.db2.gz QDVPEQAMTKNFJO-XMSQKQJNSA-N 2 1 368.569 4.300 20 0 FIADMP Cc1nc2ccccn2c1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000513487304 1094166142 /nfs/dbraw/zinc/16/61/42/1094166142.db2.gz BAHDJNXHDOFFOR-RXVVDRJESA-N 2 1 362.521 4.033 20 0 FIADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000513505640 1094168527 /nfs/dbraw/zinc/16/85/27/1094168527.db2.gz LJWCLHUGZBKNNT-NTCAYCPXSA-N 2 1 370.928 4.409 20 0 FIADMP COc1ccc(OC)c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513544617 1094205627 /nfs/dbraw/zinc/20/56/27/1094205627.db2.gz KKUNSNOPXMVSRL-ICSRJNTNSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH]nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513544603 1094205674 /nfs/dbraw/zinc/20/56/74/1094205674.db2.gz KGZMOPXIEYPHOE-PKOBYXMFSA-N 2 1 354.542 4.098 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH]nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513544601 1094206078 /nfs/dbraw/zinc/20/60/78/1094206078.db2.gz KGZMOPXIEYPHOE-IEBWSBKVSA-N 2 1 354.542 4.098 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000513667014 1094264143 /nfs/dbraw/zinc/26/41/43/1094264143.db2.gz PFTMIWSXYNXPLW-FKBYEOEOSA-N 2 1 369.553 4.168 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C2CCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036511 1094287112 /nfs/dbraw/zinc/28/71/12/1094287112.db2.gz UZMNRHRLERUWLY-OPVJXMOQSA-N 2 1 352.526 4.139 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C2CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036511 1094287121 /nfs/dbraw/zinc/28/71/21/1094287121.db2.gz UZMNRHRLERUWLY-OPVJXMOQSA-N 2 1 352.526 4.139 20 0 FIADMP C[C@H]1CC([NH2+]Cc2cncn2C2CCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036517 1094288386 /nfs/dbraw/zinc/28/83/86/1094288386.db2.gz UZMNRHRLERUWLY-ROUUACIJSA-N 2 1 352.526 4.139 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000509940916 1094376070 /nfs/dbraw/zinc/37/60/70/1094376070.db2.gz FOBQNNNXUKRTMU-UHFFFAOYSA-N 2 1 365.525 4.163 20 0 FIADMP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000474623497 1094454227 /nfs/dbraw/zinc/45/42/27/1094454227.db2.gz RXLKODWQZUISOP-UHFFFAOYSA-N 2 1 362.521 4.311 20 0 FIADMP C[N@H+](Cc1nc2ccccc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047520 1094454472 /nfs/dbraw/zinc/45/44/72/1094454472.db2.gz DWKAGCYRCNWTOH-UHFFFAOYSA-N 2 1 352.507 4.040 20 0 FIADMP C[N@H+](Cc1ccccc1OC(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071569 1094476767 /nfs/dbraw/zinc/47/67/67/1094476767.db2.gz XOSYWPHFMRDWRC-UHFFFAOYSA-N 2 1 361.436 4.031 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501089618 1094489337 /nfs/dbraw/zinc/48/93/37/1094489337.db2.gz OFJNEXUOTJWANN-QGZVFWFLSA-N 2 1 371.491 4.114 20 0 FIADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1c(F)cccc1Cl ZINC000501140282 1094527210 /nfs/dbraw/zinc/52/72/10/1094527210.db2.gz KNYNTJOHQAQPFZ-UHFFFAOYSA-N 2 1 369.956 4.107 20 0 FIADMP CC(C)Sc1cccc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000474730287 1094546189 /nfs/dbraw/zinc/54/61/89/1094546189.db2.gz PAKGNJLDCGQJJP-INIZCTEOSA-N 2 1 370.990 4.167 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000474735203 1094548408 /nfs/dbraw/zinc/54/84/08/1094548408.db2.gz WTYKWXZPCSVLAR-KCZVDYSFSA-N 2 1 366.549 4.341 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@H]1c1ccccc1 ZINC000453419860 1094583921 /nfs/dbraw/zinc/58/39/21/1094583921.db2.gz JUOIADJSVBKGAD-YSTOQKLRSA-N 2 1 356.535 4.393 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[C@H]1c1ccccc1 ZINC000453419860 1094583933 /nfs/dbraw/zinc/58/39/33/1094583933.db2.gz JUOIADJSVBKGAD-YSTOQKLRSA-N 2 1 356.535 4.393 20 0 FIADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000474805520 1094643773 /nfs/dbraw/zinc/64/37/73/1094643773.db2.gz BGCLLJJPBJODBW-UHFFFAOYSA-N 2 1 352.526 4.067 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000501390338 1094675865 /nfs/dbraw/zinc/67/58/65/1094675865.db2.gz VRJYTFNWOFCKMZ-GPXNEJASSA-N 2 1 363.549 4.262 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H](C)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000474878329 1094827055 /nfs/dbraw/zinc/82/70/55/1094827055.db2.gz OSQNHHNUVRGRRH-HOTGVXAUSA-N 2 1 372.944 4.497 20 0 FIADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000502059013 1095075940 /nfs/dbraw/zinc/07/59/40/1095075940.db2.gz VHRQNFNWRLLPCZ-NFBKMPQASA-N 2 1 374.569 4.235 20 0 FIADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551462 1095136341 /nfs/dbraw/zinc/13/63/41/1095136341.db2.gz JMFPAPRULWVHFO-KNQAVFIVSA-N 2 1 357.586 4.147 20 0 FIADMP C[N@H+](Cc1cccc(OCc2ccccc2F)c1)CC1CC[NH+](C)CC1 ZINC000513736524 1095236044 /nfs/dbraw/zinc/23/60/44/1095236044.db2.gz DEOVPHAVVPTOCA-UHFFFAOYSA-N 2 1 356.485 4.178 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000502279882 1095299717 /nfs/dbraw/zinc/29/97/17/1095299717.db2.gz FRMJMRAICJBJIV-UGKGYDQZSA-N 2 1 356.554 4.357 20 0 FIADMP FC(F)(F)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000443972248 1095388544 /nfs/dbraw/zinc/38/85/44/1095388544.db2.gz XHIRAJBRBWGKIP-UHFFFAOYSA-N 2 1 369.456 4.438 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000502411457 1095435433 /nfs/dbraw/zinc/43/54/33/1095435433.db2.gz ARZRCCFKBGUYFD-FCEUIQTBSA-N 2 1 356.554 4.226 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458550 1095486984 /nfs/dbraw/zinc/48/69/84/1095486984.db2.gz CXQQBSQIXWNWTF-QUCCMNQESA-N 2 1 352.526 4.171 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000281260737 1095518017 /nfs/dbraw/zinc/51/80/17/1095518017.db2.gz GWRHDPLZSOCPEM-UHFFFAOYSA-N 2 1 366.509 4.287 20 0 FIADMP Cc1ccc(-c2ccc(C[NH2+]Cc3ccccc3OCC[NH+](C)C)o2)cc1 ZINC000237191890 1095518578 /nfs/dbraw/zinc/51/85/78/1095518578.db2.gz BQVJXKGLNFNSLV-UHFFFAOYSA-N 2 1 364.489 4.485 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1C ZINC000502688440 1095700855 /nfs/dbraw/zinc/70/08/55/1095700855.db2.gz ZFDGCWVABCJIRB-LMMKCTJWSA-N 2 1 354.542 4.057 20 0 FIADMP CO[C@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]21 ZINC001168050487 1095721091 /nfs/dbraw/zinc/72/10/91/1095721091.db2.gz BGGBUPCVJYQBFQ-DQEDLLLISA-N 2 1 356.554 4.175 20 0 FIADMP CO[C@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]21 ZINC001168050487 1095721103 /nfs/dbraw/zinc/72/11/03/1095721103.db2.gz BGGBUPCVJYQBFQ-DQEDLLLISA-N 2 1 356.554 4.175 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000502771304 1095799496 /nfs/dbraw/zinc/79/94/96/1095799496.db2.gz VKGKUHVJQAIXQX-CQSZACIVSA-N 2 1 362.315 4.181 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000502771304 1095799500 /nfs/dbraw/zinc/79/95/00/1095799500.db2.gz VKGKUHVJQAIXQX-CQSZACIVSA-N 2 1 362.315 4.181 20 0 FIADMP CCCCC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051345 1095807132 /nfs/dbraw/zinc/80/71/32/1095807132.db2.gz HPKXTKQDVCQABF-IUTQVRIDSA-N 2 1 357.586 4.236 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421822765 1095935590 /nfs/dbraw/zinc/93/55/90/1095935590.db2.gz BHZVHKIHPZNHDT-IXDOHACOSA-N 2 1 373.928 4.195 20 0 FIADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000421828419 1095942248 /nfs/dbraw/zinc/94/22/48/1095942248.db2.gz CPKWIURBRSWSGX-CQSZACIVSA-N 2 1 374.916 4.075 20 0 FIADMP Cc1csc(C2([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CCC2)n1 ZINC000271949711 1096142562 /nfs/dbraw/zinc/14/25/62/1096142562.db2.gz JGUVAULUSZFMGS-MRXNPFEDSA-N 2 1 359.539 4.122 20 0 FIADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC000422723299 1096471848 /nfs/dbraw/zinc/47/18/48/1096471848.db2.gz QUXKHAZISRFMBS-QZTJIDSGSA-N 2 1 372.394 4.126 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766539 1096485245 /nfs/dbraw/zinc/48/52/45/1096485245.db2.gz RTRODTFAEAUVPM-HHXXYDBFSA-N 3 1 371.491 4.195 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766539 1096485247 /nfs/dbraw/zinc/48/52/47/1096485247.db2.gz RTRODTFAEAUVPM-HHXXYDBFSA-N 3 1 371.491 4.195 20 0 FIADMP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1nc(C(F)(F)F)cs1 ZINC000422807187 1096496506 /nfs/dbraw/zinc/49/65/06/1096496506.db2.gz JGMADQIFPMYPMZ-GWCFXTLKSA-N 2 1 358.433 4.126 20 0 FIADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(C(F)(F)F)c1 ZINC000422840879 1096502811 /nfs/dbraw/zinc/50/28/11/1096502811.db2.gz USGANUAKTQHXTK-OCCSQVGLSA-N 2 1 353.388 4.021 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000422858660 1096506495 /nfs/dbraw/zinc/50/64/95/1096506495.db2.gz IPJDYQXNYMWXNL-CMPZQBNXSA-N 2 1 371.550 4.347 20 0 FIADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422880316 1096511289 /nfs/dbraw/zinc/51/12/89/1096511289.db2.gz WSXVLFSCADGUJF-NOZJJQNGSA-N 2 1 353.240 4.073 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422913430 1096522351 /nfs/dbraw/zinc/52/23/51/1096522351.db2.gz QCLDEWOVLMAQKH-DZJNRPSUSA-N 2 1 356.539 4.167 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414703564 1096525018 /nfs/dbraw/zinc/52/50/18/1096525018.db2.gz CKYXUSSDKBLLED-UWJYYQICSA-N 2 1 372.557 4.185 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000414710535 1096545798 /nfs/dbraw/zinc/54/57/98/1096545798.db2.gz LIYDLFVWBOQGGC-IEBWSBKVSA-N 2 1 372.557 4.090 20 0 FIADMP C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000414710601 1096546035 /nfs/dbraw/zinc/54/60/35/1096546035.db2.gz LOGNNJXCFCYDFU-QGZVFWFLSA-N 2 1 372.557 4.042 20 0 FIADMP CCc1ccc([C@@H](CN[C@H](C)c2ccc(C[NH3+])nc2C)[NH+](CC)CC)cc1 ZINC000423121685 1096579193 /nfs/dbraw/zinc/57/91/93/1096579193.db2.gz BAPXNGWXRBXUCD-UZUQRXQVSA-N 2 1 368.569 4.145 20 0 FIADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000423193605 1096613265 /nfs/dbraw/zinc/61/32/65/1096613265.db2.gz XMFYEQKIDHGAIN-SFHVURJKSA-N 2 1 362.315 4.065 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423206403 1096617384 /nfs/dbraw/zinc/61/73/84/1096617384.db2.gz WSFQTMZQRVEENW-QGZVFWFLSA-N 2 1 360.546 4.263 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1Cl ZINC000423217441 1096620726 /nfs/dbraw/zinc/62/07/26/1096620726.db2.gz UFIJHYCIMWHBDC-GXTWGEPZSA-N 2 1 367.324 4.138 20 0 FIADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287018 1096634940 /nfs/dbraw/zinc/63/49/40/1096634940.db2.gz JWYAPJYTTOHJHJ-JTQLQIEISA-N 2 1 368.344 4.269 20 0 FIADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1ccc(Cl)cc1 ZINC000423296001 1096644721 /nfs/dbraw/zinc/64/47/21/1096644721.db2.gz YESRGHQIJIRFGM-KBPBESRZSA-N 2 1 369.900 4.100 20 0 FIADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000423344881 1096646770 /nfs/dbraw/zinc/64/67/70/1096646770.db2.gz XDVDZCDARIVEIS-SJORKVTESA-N 2 1 351.494 4.333 20 0 FIADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000423341461 1096650887 /nfs/dbraw/zinc/65/08/87/1096650887.db2.gz UMUUJEXIACWEBD-IRXDYDNUSA-N 2 1 351.494 4.191 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1csc(-c2ccccc2F)n1 ZINC000423372154 1096651967 /nfs/dbraw/zinc/65/19/67/1096651967.db2.gz GVPDJOOIBYTXCO-CYBMUJFWSA-N 2 1 353.466 4.403 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000423379379 1096660949 /nfs/dbraw/zinc/66/09/49/1096660949.db2.gz XKQRNUITONYMKA-WSMBLCCSSA-N 2 1 362.386 4.121 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000423392988 1096663603 /nfs/dbraw/zinc/66/36/03/1096663603.db2.gz XYNZMSLHGUYRNN-JFGNBEQYSA-N 2 1 365.237 4.259 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423397680 1096666486 /nfs/dbraw/zinc/66/64/86/1096666486.db2.gz OJAGICSHNGOFOV-MDASCCDHSA-N 2 1 359.311 4.126 20 0 FIADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2Br)s1 ZINC000423424299 1096670751 /nfs/dbraw/zinc/67/07/51/1096670751.db2.gz FSOWSENZYNHKFB-XPZRHXQJSA-N 2 1 363.324 4.046 20 0 FIADMP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cc1F ZINC000423507601 1096702030 /nfs/dbraw/zinc/70/20/30/1096702030.db2.gz JQWZAVXPXVXEIP-WBMJQRKESA-N 2 1 366.278 4.114 20 0 FIADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1csc(Cl)c1 ZINC000423580737 1096724912 /nfs/dbraw/zinc/72/49/12/1096724912.db2.gz YHRXKMGYONSUNO-OAHLLOKOSA-N 2 1 363.958 4.046 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000533019997 1098694283 /nfs/dbraw/zinc/69/42/83/1098694283.db2.gz HZRZHSFFZNDJTE-SFHVURJKSA-N 2 1 354.542 4.050 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000533019997 1098694297 /nfs/dbraw/zinc/69/42/97/1098694297.db2.gz HZRZHSFFZNDJTE-SFHVURJKSA-N 2 1 354.542 4.050 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOC4(CCCC4)C2)C3)cc1 ZINC000245743292 1098708664 /nfs/dbraw/zinc/70/86/64/1098708664.db2.gz RYRZWWPQBCZTIA-YSFYHYPLSA-N 2 1 354.538 4.263 20 0 FIADMP Fc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1-c1cccs1 ZINC000414878429 1098739171 /nfs/dbraw/zinc/73/91/71/1098739171.db2.gz NLKNEOZDPVOJLJ-UHFFFAOYSA-N 2 1 355.482 4.219 20 0 FIADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271625 1098922474 /nfs/dbraw/zinc/92/24/74/1098922474.db2.gz HSFQKLFBQIQQOL-UHFFFAOYSA-N 2 1 359.558 4.074 20 0 FIADMP CC[NH+](CC)Cc1ccccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001211994015 1099146917 /nfs/dbraw/zinc/14/69/17/1099146917.db2.gz JPSNDCHBBCXEGE-UHFFFAOYSA-N 2 1 353.510 4.104 20 0 FIADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(C(F)(F)F)c1 ZINC001167961103 1099253630 /nfs/dbraw/zinc/25/36/30/1099253630.db2.gz FKUDPJLOQBWTQM-ALOPSCKCSA-N 2 1 356.407 4.340 20 0 FIADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(C(F)(F)F)c1 ZINC001167961103 1099253635 /nfs/dbraw/zinc/25/36/35/1099253635.db2.gz FKUDPJLOQBWTQM-ALOPSCKCSA-N 2 1 356.407 4.340 20 0 FIADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000437083788 1099588788 /nfs/dbraw/zinc/58/87/88/1099588788.db2.gz JDDREDCXJUCMKR-HCXYKTFWSA-N 2 1 354.460 4.464 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[C@H](C)C1 ZINC000437090286 1099594548 /nfs/dbraw/zinc/59/45/48/1099594548.db2.gz AGSNXTKBMJPFAI-PNJWGLBASA-N 2 1 358.570 4.124 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000437086470 1099606111 /nfs/dbraw/zinc/60/61/11/1099606111.db2.gz RJPIYBMVUNZNCI-HVJHZFLKSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437086470 1099606116 /nfs/dbraw/zinc/60/61/16/1099606116.db2.gz RJPIYBMVUNZNCI-HVJHZFLKSA-N 2 1 366.480 4.150 20 0 FIADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000261638413 1099628354 /nfs/dbraw/zinc/62/83/54/1099628354.db2.gz AAIOGQSUSDHMKN-MRXNPFEDSA-N 2 1 359.311 4.157 20 0 FIADMP CSc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000162256218 1099659023 /nfs/dbraw/zinc/65/90/23/1099659023.db2.gz FZOWTUGEUDGWMB-AWEZNQCLSA-N 2 1 374.529 4.274 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000516620384 1099661285 /nfs/dbraw/zinc/66/12/85/1099661285.db2.gz KIKCWIASHAENLH-BDHVOXNPSA-N 2 1 356.554 4.365 20 0 FIADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000508682441 1099816551 /nfs/dbraw/zinc/81/65/51/1099816551.db2.gz YEVMPMICZZUJJN-HNNXBMFYSA-N 2 1 371.431 4.413 20 0 FIADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000508682441 1099816561 /nfs/dbraw/zinc/81/65/61/1099816561.db2.gz YEVMPMICZZUJJN-HNNXBMFYSA-N 2 1 371.431 4.413 20 0 FIADMP C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693518 1099823921 /nfs/dbraw/zinc/82/39/21/1099823921.db2.gz CVCMDXPYEWRFFT-WIYYLYMNSA-N 2 1 372.940 4.357 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000508703640 1099858131 /nfs/dbraw/zinc/85/81/31/1099858131.db2.gz ZEWFWECILGOBCE-SXWKCWPCSA-N 2 1 374.532 4.434 20 0 FIADMP Cc1ccc(C[NH+](C)C)cc1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708804 1099887787 /nfs/dbraw/zinc/88/77/87/1099887787.db2.gz DVUPAKPBNYOWIJ-KNQAVFIVSA-N 2 1 351.538 4.379 20 0 FIADMP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710597 1099894638 /nfs/dbraw/zinc/89/46/38/1099894638.db2.gz NAZDZNSHSMPOJW-AZUAARDMSA-N 2 1 352.497 4.358 20 0 FIADMP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508709954 1099898104 /nfs/dbraw/zinc/89/81/04/1099898104.db2.gz KMABGVMTWSFDSH-SIKLNZKXSA-N 2 1 351.538 4.379 20 0 FIADMP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721444 1099937401 /nfs/dbraw/zinc/93/74/01/1099937401.db2.gz USOMYRFZJVVIBK-UNMCSNQZSA-N 2 1 351.538 4.013 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723169 1099943393 /nfs/dbraw/zinc/94/33/93/1099943393.db2.gz VHPAPWKLYIFFAW-PMVMPFDFSA-N 2 1 363.549 4.013 20 0 FIADMP Cc1nn(C)cc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000517043185 1100014811 /nfs/dbraw/zinc/01/48/11/1100014811.db2.gz LQFFECVKINIYCB-DTHFOOOUSA-N 2 1 372.944 4.086 20 0 FIADMP Cc1nn(C)cc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000517043186 1100015150 /nfs/dbraw/zinc/01/51/50/1100015150.db2.gz LQFFECVKINIYCB-QNKZKCNHSA-N 2 1 372.944 4.086 20 0 FIADMP COc1ccccc1/C=C\CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673997 1100161600 /nfs/dbraw/zinc/16/16/00/1100161600.db2.gz IZXRIRAWACNKRJ-UOMAQRANSA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C\C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536673997 1100161611 /nfs/dbraw/zinc/16/16/11/1100161611.db2.gz IZXRIRAWACNKRJ-UOMAQRANSA-N 2 1 350.506 4.162 20 0 FIADMP COc1ccccc1/C=C\C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536673997 1100161650 /nfs/dbraw/zinc/16/16/50/1100161650.db2.gz IZXRIRAWACNKRJ-UOMAQRANSA-N 2 1 350.506 4.162 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459466071 1100210654 /nfs/dbraw/zinc/21/06/54/1100210654.db2.gz OSJKTEVGZNZFHU-UHFFFAOYSA-N 2 1 367.541 4.024 20 0 FIADMP CCN(Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536709559 1100225206 /nfs/dbraw/zinc/22/52/06/1100225206.db2.gz GESMXMXQTNPNMT-IBGZPJMESA-N 2 1 354.542 4.051 20 0 FIADMP Cc1ccc2ncc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2c1 ZINC000536711573 1100229684 /nfs/dbraw/zinc/22/96/84/1100229684.db2.gz ZBGDIXHTWJHNNY-IBGZPJMESA-N 2 1 354.542 4.119 20 0 FIADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1Br ZINC000536850736 1100363326 /nfs/dbraw/zinc/36/33/26/1100363326.db2.gz GKNFSRRBLZOVRZ-SUMWQHHRSA-N 2 1 350.304 4.331 20 0 FIADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1Br ZINC000536850733 1100363694 /nfs/dbraw/zinc/36/36/94/1100363694.db2.gz GKNFSRRBLZOVRZ-GUYCJALGSA-N 2 1 350.304 4.331 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000536854652 1100403264 /nfs/dbraw/zinc/40/32/64/1100403264.db2.gz YMWSCRUOBLCZNI-PIGZYNQJSA-N 2 1 366.278 4.006 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000517552623 1100477788 /nfs/dbraw/zinc/47/77/88/1100477788.db2.gz QZQOXFUHAUESKZ-UHFFFAOYSA-N 2 1 371.916 4.253 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)oc2c1 ZINC000426044810 1100721246 /nfs/dbraw/zinc/72/12/46/1100721246.db2.gz ANCPXUSLGJPDPL-VDGAXYAQSA-N 2 1 356.510 4.160 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)oc2c1 ZINC000426044807 1100721381 /nfs/dbraw/zinc/72/13/81/1100721381.db2.gz ANCPXUSLGJPDPL-DBVUQKKJSA-N 2 1 356.510 4.160 20 0 FIADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000414943858 1100870756 /nfs/dbraw/zinc/87/07/56/1100870756.db2.gz FVMBVWSLGGSRDH-BEFAXECRSA-N 2 1 374.912 4.158 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414949768 1100907668 /nfs/dbraw/zinc/90/76/68/1100907668.db2.gz FOGHQZHONFDHSO-SWLSCSKDSA-N 2 1 357.361 4.037 20 0 FIADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1O ZINC000426158163 1100920001 /nfs/dbraw/zinc/92/00/01/1100920001.db2.gz AKKHJIWHPDXAFG-SFHVURJKSA-N 2 1 370.537 4.352 20 0 FIADMP Cc1ccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000438846347 1100966435 /nfs/dbraw/zinc/96/64/35/1100966435.db2.gz ASAKFBQHTXUVCA-TZIWHRDSSA-N 2 1 351.538 4.379 20 0 FIADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000467376924 1100983807 /nfs/dbraw/zinc/98/38/07/1100983807.db2.gz MJZHDUARFGJTJQ-LJQANCHMSA-N 2 1 369.415 4.245 20 0 FIADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414963180 1100998399 /nfs/dbraw/zinc/99/83/99/1100998399.db2.gz CTCZFTGZKFCEBV-LJQANCHMSA-N 2 1 371.912 4.070 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000518273151 1101055899 /nfs/dbraw/zinc/05/58/99/1101055899.db2.gz KURGXSHPMBUXDS-UHFFFAOYSA-N 2 1 354.542 4.233 20 0 FIADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000518273151 1101055904 /nfs/dbraw/zinc/05/59/04/1101055904.db2.gz KURGXSHPMBUXDS-UHFFFAOYSA-N 2 1 354.542 4.233 20 0 FIADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)s1 ZINC000439146574 1101200801 /nfs/dbraw/zinc/20/08/01/1101200801.db2.gz NCKPQBPJXULECY-XJKCOSOUSA-N 2 1 355.345 4.178 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426299244 1101226417 /nfs/dbraw/zinc/22/64/17/1101226417.db2.gz UDQCEXYBTLGVPF-NJDAHSKKSA-N 2 1 367.537 4.326 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426299244 1101226423 /nfs/dbraw/zinc/22/64/23/1101226423.db2.gz UDQCEXYBTLGVPF-NJDAHSKKSA-N 2 1 367.537 4.326 20 0 FIADMP CCCc1nc(C)c(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000426301231 1101233223 /nfs/dbraw/zinc/23/32/23/1101233223.db2.gz LTXXDYUGDZPZTB-UHFFFAOYSA-N 2 1 355.526 4.468 20 0 FIADMP Brc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000426325186 1101259236 /nfs/dbraw/zinc/25/92/36/1101259236.db2.gz UMODVYFKWBLHCM-HZPDHXFCSA-N 2 1 363.343 4.087 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322394 1101266674 /nfs/dbraw/zinc/26/66/74/1101266674.db2.gz IQWAKACILAODOG-IGCXYCKISA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322394 1101266685 /nfs/dbraw/zinc/26/66/85/1101266685.db2.gz IQWAKACILAODOG-IGCXYCKISA-N 2 1 351.332 4.145 20 0 FIADMP CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000426335052 1101288629 /nfs/dbraw/zinc/28/86/29/1101288629.db2.gz NKPOUSQBKFKIPI-JZXOWHBKSA-N 2 1 363.343 4.289 20 0 FIADMP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000010435450 1101334700 /nfs/dbraw/zinc/33/47/00/1101334700.db2.gz VDMHOXANTGVZNT-UHFFFAOYSA-N 2 1 358.913 4.493 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000178323813 1101529832 /nfs/dbraw/zinc/52/98/32/1101529832.db2.gz WNUFYYPFMNQJBE-IRXDYDNUSA-N 2 1 372.476 4.173 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000537384500 1101721043 /nfs/dbraw/zinc/72/10/43/1101721043.db2.gz SAOYRPIKUHELHC-UHFFFAOYSA-N 2 1 350.506 4.050 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168165529 1101758794 /nfs/dbraw/zinc/75/87/94/1101758794.db2.gz DOYGEXFXNBRVOH-OZOXKJRCSA-N 2 1 357.929 4.438 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000248759913 1101778266 /nfs/dbraw/zinc/77/82/66/1101778266.db2.gz LLKOHNFVDWQUSS-GMAHTHKFSA-N 2 1 372.516 4.256 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000248759913 1101778278 /nfs/dbraw/zinc/77/82/78/1101778278.db2.gz LLKOHNFVDWQUSS-GMAHTHKFSA-N 2 1 372.516 4.256 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000392714816 1101849191 /nfs/dbraw/zinc/84/91/91/1101849191.db2.gz ZJPGLRAEIOMWMN-IINYFYTJSA-N 2 1 354.338 4.297 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000392714816 1101849205 /nfs/dbraw/zinc/84/92/05/1101849205.db2.gz ZJPGLRAEIOMWMN-IINYFYTJSA-N 2 1 354.338 4.297 20 0 FIADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000470120819 1101933536 /nfs/dbraw/zinc/93/35/36/1101933536.db2.gz HWTZWNKXVFZCAN-HXUWFJFHSA-N 2 1 373.928 4.423 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000398112646 1101966413 /nfs/dbraw/zinc/96/64/13/1101966413.db2.gz DPJCSKUMTCUBIW-CEMLEFRQSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000398112646 1101966421 /nfs/dbraw/zinc/96/64/21/1101966421.db2.gz DPJCSKUMTCUBIW-CEMLEFRQSA-N 2 1 356.554 4.369 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C)c1 ZINC000519168600 1101983735 /nfs/dbraw/zinc/98/37/35/1101983735.db2.gz KTKIIAJAILBIIQ-DHIUTWEWSA-N 2 1 352.522 4.193 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000519192338 1101987363 /nfs/dbraw/zinc/98/73/63/1101987363.db2.gz BPUJCUMYRFUFFR-PZJWPPBQSA-N 2 1 367.537 4.364 20 0 FIADMP CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000519192338 1101987370 /nfs/dbraw/zinc/98/73/70/1101987370.db2.gz BPUJCUMYRFUFFR-PZJWPPBQSA-N 2 1 367.537 4.364 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@]1(C)C[NH3+] ZINC000415050976 1102262227 /nfs/dbraw/zinc/26/22/27/1102262227.db2.gz FGJVGNCEZYNHIQ-QVKFZJNVSA-N 2 1 371.912 4.009 20 0 FIADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1c(Cl)cccc1Cl ZINC001167967525 1102287976 /nfs/dbraw/zinc/28/79/76/1102287976.db2.gz GQAZYGCBTHGMDH-KRWWSPQJSA-N 2 1 369.336 4.022 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000121615553 1102424712 /nfs/dbraw/zinc/42/47/12/1102424712.db2.gz UAVUAINHVJRTFJ-BSRJHKFKSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000121615553 1102424718 /nfs/dbraw/zinc/42/47/18/1102424718.db2.gz UAVUAINHVJRTFJ-BSRJHKFKSA-N 2 1 365.521 4.206 20 0 FIADMP COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000532525382 1102442836 /nfs/dbraw/zinc/44/28/36/1102442836.db2.gz VERIKLWOAFHMTE-DLBZAZTESA-N 2 1 365.477 4.307 20 0 FIADMP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000532529282 1102444499 /nfs/dbraw/zinc/44/44/99/1102444499.db2.gz OVWANWQSGTUIGK-KRWDZBQOSA-N 2 1 358.501 4.345 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000122293598 1102547127 /nfs/dbraw/zinc/54/71/27/1102547127.db2.gz DGZZGWVGZKJYJG-YSSFQJQWSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000122293598 1102547132 /nfs/dbraw/zinc/54/71/32/1102547132.db2.gz DGZZGWVGZKJYJG-YSSFQJQWSA-N 2 1 354.485 4.143 20 0 FIADMP COc1ccc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812580 1102553972 /nfs/dbraw/zinc/55/39/72/1102553972.db2.gz ZGFAVBGMNHXNDG-SIKLNZKXSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812580 1102553984 /nfs/dbraw/zinc/55/39/84/1102553984.db2.gz ZGFAVBGMNHXNDG-SIKLNZKXSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812580 1102553989 /nfs/dbraw/zinc/55/39/89/1102553989.db2.gz ZGFAVBGMNHXNDG-SIKLNZKXSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303812580 1102553999 /nfs/dbraw/zinc/55/39/99/1102553999.db2.gz ZGFAVBGMNHXNDG-SIKLNZKXSA-N 2 1 352.522 4.223 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000550907643 1102666304 /nfs/dbraw/zinc/66/63/04/1102666304.db2.gz UPQGOPQUIIMXDB-KXTRFFEISA-N 2 1 366.549 4.013 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000125144057 1102672247 /nfs/dbraw/zinc/67/22/47/1102672247.db2.gz CDWMAEUUGCCMLZ-QSAFDGGLSA-N 2 1 370.562 4.300 20 0 FIADMP COc1ccccc1CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167979098 1102738082 /nfs/dbraw/zinc/73/80/82/1102738082.db2.gz VEPQJGLUKDRICC-FRIKZZABSA-N 2 1 368.565 4.403 20 0 FIADMP C[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000550977393 1102740248 /nfs/dbraw/zinc/74/02/48/1102740248.db2.gz SZRQCIVKSMDKPC-PCCBWWKXSA-N 2 1 369.578 4.310 20 0 FIADMP Cc1nocc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550217257 1102768365 /nfs/dbraw/zinc/76/83/65/1102768365.db2.gz RHWOVPNMWFLNBD-FOUFQHLJSA-N 2 1 359.901 4.340 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000551013469 1102788758 /nfs/dbraw/zinc/78/87/58/1102788758.db2.gz BYUFYGOVVRKVIV-DNQXCXABSA-N 2 1 365.565 4.452 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013469 1102788759 /nfs/dbraw/zinc/78/87/59/1102788759.db2.gz BYUFYGOVVRKVIV-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013469 1102788770 /nfs/dbraw/zinc/78/87/70/1102788770.db2.gz BYUFYGOVVRKVIV-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013469 1102788783 /nfs/dbraw/zinc/78/87/83/1102788783.db2.gz BYUFYGOVVRKVIV-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013469 1102788797 /nfs/dbraw/zinc/78/87/97/1102788797.db2.gz BYUFYGOVVRKVIV-DNQXCXABSA-N 3 1 365.565 4.452 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000459335994 1102846061 /nfs/dbraw/zinc/84/60/61/1102846061.db2.gz BLEBMSVZCWXJOF-LJQANCHMSA-N 2 1 364.537 4.394 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263043 1102882118 /nfs/dbraw/zinc/88/21/18/1102882118.db2.gz TXJDBJUKPQNNND-HJNYFJLDSA-N 2 1 356.554 4.084 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551083870 1102901533 /nfs/dbraw/zinc/90/15/33/1102901533.db2.gz OCOIKVICTUQZSB-RMVZNSSTSA-N 2 1 368.521 4.196 20 0 FIADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551083870 1102901538 /nfs/dbraw/zinc/90/15/38/1102901538.db2.gz OCOIKVICTUQZSB-RMVZNSSTSA-N 2 1 368.521 4.196 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000551086694 1102905503 /nfs/dbraw/zinc/90/55/03/1102905503.db2.gz ARNFEWTYCMDCBO-TZWRJOPASA-N 2 1 372.553 4.312 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000551086694 1102905504 /nfs/dbraw/zinc/90/55/04/1102905504.db2.gz ARNFEWTYCMDCBO-TZWRJOPASA-N 2 1 372.553 4.312 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000551174518 1102948762 /nfs/dbraw/zinc/94/87/62/1102948762.db2.gz CXTJJYSDAPWWDG-SSGKUCQKSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000551174518 1102948765 /nfs/dbraw/zinc/94/87/65/1102948765.db2.gz CXTJJYSDAPWWDG-SSGKUCQKSA-N 2 1 350.506 4.189 20 0 FIADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000551221721 1102989687 /nfs/dbraw/zinc/98/96/87/1102989687.db2.gz YBFXPYGARSDOMM-UHFFFAOYSA-N 2 1 368.569 4.292 20 0 FIADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000551221721 1102989692 /nfs/dbraw/zinc/98/96/92/1102989692.db2.gz YBFXPYGARSDOMM-UHFFFAOYSA-N 2 1 368.569 4.292 20 0 FIADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476988421 1102993545 /nfs/dbraw/zinc/99/35/45/1102993545.db2.gz SDBADQRWVWXIPN-WOJBJXKFSA-N 2 1 371.569 4.299 20 0 FIADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476988421 1102993549 /nfs/dbraw/zinc/99/35/49/1102993549.db2.gz SDBADQRWVWXIPN-WOJBJXKFSA-N 2 1 371.569 4.299 20 0 FIADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000476991929 1102996125 /nfs/dbraw/zinc/99/61/25/1102996125.db2.gz ZQRORMIVUGJARG-LJQANCHMSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000476991929 1102996128 /nfs/dbraw/zinc/99/61/28/1102996128.db2.gz ZQRORMIVUGJARG-LJQANCHMSA-N 2 1 371.569 4.218 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000459373708 1102999500 /nfs/dbraw/zinc/99/95/00/1102999500.db2.gz WGIGIDCEFMMRAH-SFHVURJKSA-N 2 1 350.506 4.245 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000459373708 1102999504 /nfs/dbraw/zinc/99/95/04/1102999504.db2.gz WGIGIDCEFMMRAH-SFHVURJKSA-N 2 1 350.506 4.245 20 0 FIADMP c1ccc(COCc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000459373970 1103004539 /nfs/dbraw/zinc/00/45/39/1103004539.db2.gz LFCRAHMXMLISAA-UHFFFAOYSA-N 2 1 350.506 4.120 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000729681329 1103045046 /nfs/dbraw/zinc/04/50/46/1103045046.db2.gz RPXUCVHDSUQDLN-QGZVFWFLSA-N 2 1 367.468 4.336 20 0 FIADMP COCc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746443 1103161328 /nfs/dbraw/zinc/16/13/28/1103161328.db2.gz GAMNZIWAHKWLRQ-XXBNENTESA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746443 1103161332 /nfs/dbraw/zinc/16/13/32/1103161332.db2.gz GAMNZIWAHKWLRQ-XXBNENTESA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746443 1103161341 /nfs/dbraw/zinc/16/13/41/1103161341.db2.gz GAMNZIWAHKWLRQ-XXBNENTESA-N 2 1 352.522 4.318 20 0 FIADMP COCc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000532746443 1103161343 /nfs/dbraw/zinc/16/13/43/1103161343.db2.gz GAMNZIWAHKWLRQ-XXBNENTESA-N 2 1 352.522 4.318 20 0 FIADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995195 1103350139 /nfs/dbraw/zinc/35/01/39/1103350139.db2.gz FUUFSPQVBWVRFJ-CQSZACIVSA-N 2 1 353.491 4.321 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)cn2c1 ZINC000551556270 1103355186 /nfs/dbraw/zinc/35/51/86/1103355186.db2.gz QSVYIDKQBGNCPT-IBGZPJMESA-N 2 1 362.521 4.307 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)cn2c1 ZINC000551556270 1103355202 /nfs/dbraw/zinc/35/52/02/1103355202.db2.gz QSVYIDKQBGNCPT-IBGZPJMESA-N 2 1 362.521 4.307 20 0 FIADMP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(-c2ccccc2)o1 ZINC000507515891 1103441075 /nfs/dbraw/zinc/44/10/75/1103441075.db2.gz VQHFGHLEQOIJFE-FDFHNCONSA-N 2 1 373.500 4.342 20 0 FIADMP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(-c2ccccc2)o1 ZINC000507515891 1103441078 /nfs/dbraw/zinc/44/10/78/1103441078.db2.gz VQHFGHLEQOIJFE-FDFHNCONSA-N 2 1 373.500 4.342 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000519672256 1103784148 /nfs/dbraw/zinc/78/41/48/1103784148.db2.gz JTAJXNHKKVUZPB-SSZFMOIBSA-N 2 1 352.469 4.496 20 0 FIADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cscn1 ZINC000538193968 1104029019 /nfs/dbraw/zinc/02/90/19/1104029019.db2.gz GCSDCCBGVPGJQR-KSZLIROESA-N 2 1 373.566 4.003 20 0 FIADMP OCCC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228528 1104189132 /nfs/dbraw/zinc/18/91/32/1104189132.db2.gz TYTGNEPSIHOGTF-DHIUTWEWSA-N 2 1 364.533 4.287 20 0 FIADMP OCCC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000520228528 1104189142 /nfs/dbraw/zinc/18/91/42/1104189142.db2.gz TYTGNEPSIHOGTF-DHIUTWEWSA-N 2 1 364.533 4.287 20 0 FIADMP FC(F)(F)Oc1cccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441404538 1104344328 /nfs/dbraw/zinc/34/43/28/1104344328.db2.gz SWRMFXUHNWBXTA-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404538 1104344339 /nfs/dbraw/zinc/34/43/39/1104344339.db2.gz SWRMFXUHNWBXTA-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404538 1104344350 /nfs/dbraw/zinc/34/43/50/1104344350.db2.gz SWRMFXUHNWBXTA-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1F ZINC000112524928 1104374814 /nfs/dbraw/zinc/37/48/14/1104374814.db2.gz KMOANTAJSZZGLZ-KSZLIROESA-N 2 1 356.485 4.286 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2ccccc2s1 ZINC000188446023 1104469006 /nfs/dbraw/zinc/46/90/06/1104469006.db2.gz XUCAOQDJHDBBGP-JXFKEZNVSA-N 2 1 366.530 4.319 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(CO)c1 ZINC000536308614 1104660497 /nfs/dbraw/zinc/66/04/97/1104660497.db2.gz OGMAVMJMVSIKEC-RTBURBONSA-N 2 1 352.522 4.404 20 0 FIADMP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582852 1104933913 /nfs/dbraw/zinc/93/39/13/1104933913.db2.gz XLJZIAMMGFUNAK-BDJLRTHQSA-N 2 1 355.345 4.036 20 0 FIADMP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582813 1104934070 /nfs/dbraw/zinc/93/40/70/1104934070.db2.gz XLJZIAMMGFUNAK-MEDUHNTESA-N 2 1 355.345 4.036 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190591937 1104944274 /nfs/dbraw/zinc/94/42/74/1104944274.db2.gz COAPLIBVVAIELN-MLGOLLRUSA-N 2 1 357.361 4.283 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190599159 1104947558 /nfs/dbraw/zinc/94/75/58/1104947558.db2.gz PDFGRXJTQQWAPA-BDJLRTHQSA-N 2 1 368.344 4.393 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190616797 1104952121 /nfs/dbraw/zinc/95/21/21/1104952121.db2.gz IDZGLGSLZQHVNP-INIZCTEOSA-N 2 1 357.361 4.424 20 0 FIADMP OCCCCCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002769 1104990554 /nfs/dbraw/zinc/99/05/54/1104990554.db2.gz XODGRPXYWGMPHX-VSGJHWFKSA-N 2 1 370.581 4.447 20 0 FIADMP OCCCCCC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002769 1104990556 /nfs/dbraw/zinc/99/05/56/1104990556.db2.gz XODGRPXYWGMPHX-VSGJHWFKSA-N 2 1 370.581 4.447 20 0 FIADMP OCCCCCC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002769 1104990559 /nfs/dbraw/zinc/99/05/59/1104990559.db2.gz XODGRPXYWGMPHX-VSGJHWFKSA-N 2 1 370.581 4.447 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152415682 1105105037 /nfs/dbraw/zinc/10/50/37/1105105037.db2.gz UUNSJICMJIERPT-WBMJQRKESA-N 2 1 355.309 4.281 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152415682 1105105043 /nfs/dbraw/zinc/10/50/43/1105105043.db2.gz UUNSJICMJIERPT-WBMJQRKESA-N 2 1 355.309 4.281 20 0 FIADMP CC(C)(C)c1cnc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536486617 1105167351 /nfs/dbraw/zinc/16/73/51/1105167351.db2.gz SRYINGYFXDHHQH-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP CC(C)(C)c1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536486617 1105167357 /nfs/dbraw/zinc/16/73/57/1105167357.db2.gz SRYINGYFXDHHQH-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP CC(C)(C)c1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536486617 1105167363 /nfs/dbraw/zinc/16/73/63/1105167363.db2.gz SRYINGYFXDHHQH-UHFFFAOYSA-N 2 1 367.537 4.460 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000507934437 1105270546 /nfs/dbraw/zinc/27/05/46/1105270546.db2.gz HCWHQACTFNVKCC-VCWRXUFXSA-N 2 1 366.590 4.235 20 0 FIADMP c1[nH+]c(C2CC[NH+](Cc3ccccc3OC3CC3)CC2)n2c1CCCC2 ZINC000450884036 1106791575 /nfs/dbraw/zinc/79/15/75/1106791575.db2.gz YYTNUQZYUGFGTG-UHFFFAOYSA-N 2 1 351.494 4.140 20 0 FIADMP C[C@H]1CC([N@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063891 1106832381 /nfs/dbraw/zinc/83/23/81/1106832381.db2.gz NTMFMGJWKBDBTC-ROUUACIJSA-N 2 1 366.505 4.289 20 0 FIADMP C[C@H]1CC([N@@H+](C)Cc2ccc3c(c2)OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063891 1106832400 /nfs/dbraw/zinc/83/24/00/1106832400.db2.gz NTMFMGJWKBDBTC-ROUUACIJSA-N 2 1 366.505 4.289 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C(C)C ZINC000228652625 1106907142 /nfs/dbraw/zinc/90/71/42/1106907142.db2.gz QKVAPYSWDDQCAU-WOJBJXKFSA-N 2 1 373.585 4.015 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000301356466 1107001893 /nfs/dbraw/zinc/00/18/93/1107001893.db2.gz KXGAZABELRQEMV-MRXNPFEDSA-N 2 1 374.326 4.452 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000530517514 1107097650 /nfs/dbraw/zinc/09/76/50/1107097650.db2.gz ZVLTUEPWRKICDP-JOCHJYFZSA-N 2 1 356.554 4.322 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000530517515 1107098145 /nfs/dbraw/zinc/09/81/45/1107098145.db2.gz ZVLTUEPWRKICDP-QFIPXVFZSA-N 2 1 356.554 4.322 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531018342 1107457415 /nfs/dbraw/zinc/45/74/15/1107457415.db2.gz MNMPKGCIJDUVGO-SJLPKXTDSA-N 2 1 351.416 4.206 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531018342 1107457419 /nfs/dbraw/zinc/45/74/19/1107457419.db2.gz MNMPKGCIJDUVGO-SJLPKXTDSA-N 2 1 351.416 4.206 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC000444658087 1108053125 /nfs/dbraw/zinc/05/31/25/1108053125.db2.gz AFYCSLINWWBDRQ-HKBOAZHASA-N 2 1 356.535 4.099 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000531676621 1108063658 /nfs/dbraw/zinc/06/36/58/1108063658.db2.gz YVWQTMPPUVIJQC-PWHSHALESA-N 2 1 374.532 4.358 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000531676622 1108064086 /nfs/dbraw/zinc/06/40/86/1108064086.db2.gz YVWQTMPPUVIJQC-SELNLUPBSA-N 2 1 374.532 4.358 20 0 FIADMP C[C@H](C[NH+]1CC[C@@H](CC(F)(F)F)C1)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444714761 1108087907 /nfs/dbraw/zinc/08/79/07/1108087907.db2.gz KSZILCIPCHAYBN-BTTYYORXSA-N 2 1 360.386 4.171 20 0 FIADMP C[C@@H](C[NH+]1CC[C@H](CC(F)(F)F)C1)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444714761 1108087923 /nfs/dbraw/zinc/08/79/23/1108087923.db2.gz KSZILCIPCHAYBN-BTTYYORXSA-N 2 1 360.386 4.171 20 0 FIADMP C[C@@H](C[NH+]1CC[C@H](CC(F)(F)F)C1)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444714761 1108087934 /nfs/dbraw/zinc/08/79/34/1108087934.db2.gz KSZILCIPCHAYBN-BTTYYORXSA-N 2 1 360.386 4.171 20 0 FIADMP FC(F)(F)C[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689651 1108091939 /nfs/dbraw/zinc/09/19/39/1108091939.db2.gz GPEXYPOOJRBXIA-FAVCQXFFSA-N 2 1 358.370 4.091 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453069155 1108120100 /nfs/dbraw/zinc/12/01/00/1108120100.db2.gz YNSZJQSPODDLIX-NRFANRHFSA-N 2 1 363.977 4.189 20 0 FIADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000531789460 1108182332 /nfs/dbraw/zinc/18/23/32/1108182332.db2.gz IVPBDNRPJBSSFS-FRIKZZABSA-N 2 1 350.506 4.467 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](C)c4ccsc43)CC2)nc(C)[nH+]1 ZINC000453122977 1108190092 /nfs/dbraw/zinc/19/00/92/1108190092.db2.gz FKXXZWJPTXDFBM-FZKQIMNGSA-N 2 1 356.539 4.352 20 0 FIADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453127595 1108205911 /nfs/dbraw/zinc/20/59/11/1108205911.db2.gz PPGBOQLOEPGLFB-YTFSRNRJSA-N 2 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453127595 1108205924 /nfs/dbraw/zinc/20/59/24/1108205924.db2.gz PPGBOQLOEPGLFB-YTFSRNRJSA-N 3 1 366.553 4.005 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453127595 1108205933 /nfs/dbraw/zinc/20/59/33/1108205933.db2.gz PPGBOQLOEPGLFB-YTFSRNRJSA-N 3 1 366.553 4.005 20 0 FIADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453163991 1108235032 /nfs/dbraw/zinc/23/50/32/1108235032.db2.gz FBTIXGOJYUNDBX-YPAWHYETSA-N 2 1 356.554 4.226 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218065 1108289302 /nfs/dbraw/zinc/28/93/02/1108289302.db2.gz GGPWCKDXEUDOFC-DHIUTWEWSA-N 2 1 368.565 4.084 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H](NC3CC([NH+]4CCCCC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453220884 1108292272 /nfs/dbraw/zinc/29/22/72/1108292272.db2.gz PKMMWUFFTDZDES-QSBPQZLJSA-N 2 1 367.581 4.036 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932425 1108402720 /nfs/dbraw/zinc/40/27/20/1108402720.db2.gz GSLYYZYKURPXML-NVXWUHKLSA-N 2 1 363.596 4.011 20 0 FIADMP CO[C@](C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319415 1108407628 /nfs/dbraw/zinc/40/76/28/1108407628.db2.gz KUDADVQDLHAFNJ-JLLPCOHGSA-N 2 1 364.533 4.333 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@]4(CCSC4)C3)CC2)cc1 ZINC000453366273 1108482354 /nfs/dbraw/zinc/48/23/54/1108482354.db2.gz PLNGJMQBGVULHJ-NRFANRHFSA-N 2 1 362.558 4.052 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([N@H+]3CCC[C@]4(CCSC4)C3)CC2)cc1 ZINC000453366273 1108482366 /nfs/dbraw/zinc/48/23/66/1108482366.db2.gz PLNGJMQBGVULHJ-NRFANRHFSA-N 2 1 362.558 4.052 20 0 FIADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453369536 1108487559 /nfs/dbraw/zinc/48/75/59/1108487559.db2.gz VAYDRHBHHXPDCE-VYTWWXLVSA-N 2 1 368.496 4.333 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21)C1CC1 ZINC000453399849 1108501701 /nfs/dbraw/zinc/50/17/01/1108501701.db2.gz LSONMFYMCOMEDQ-QGZVFWFLSA-N 2 1 367.331 4.127 20 0 FIADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000453594327 1108632414 /nfs/dbraw/zinc/63/24/14/1108632414.db2.gz IADPOAZPGIFLFR-UHFFFAOYSA-N 2 1 366.431 4.060 20 0 FIADMP c1ccc(C[NH+]2CCC([C@@H]3CCCCC[N@H+]3Cc3cncnc3)CC2)cc1 ZINC000453601149 1108652077 /nfs/dbraw/zinc/65/20/77/1108652077.db2.gz SMBYZQKBDSETLO-QHCPKHFHSA-N 2 1 364.537 4.133 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccc(O)c1 ZINC000669617959 1108686021 /nfs/dbraw/zinc/68/60/21/1108686021.db2.gz MIRPLCFMBPGTRZ-RBQRNVLBSA-N 2 1 350.506 4.344 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000532193181 1108701689 /nfs/dbraw/zinc/70/16/89/1108701689.db2.gz POZQRNXCZVCVGI-MOPGFXCFSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000532193181 1108701700 /nfs/dbraw/zinc/70/17/00/1108701700.db2.gz POZQRNXCZVCVGI-MOPGFXCFSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000532193181 1108701709 /nfs/dbraw/zinc/70/17/09/1108701709.db2.gz POZQRNXCZVCVGI-MOPGFXCFSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000524968811 1109223757 /nfs/dbraw/zinc/22/37/57/1109223757.db2.gz RRMUVKBCWRUCCI-HDICACEKSA-N 2 1 374.500 4.373 20 0 FIADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(C)c1OCc1ccccn1 ZINC000508567495 1109247529 /nfs/dbraw/zinc/24/75/29/1109247529.db2.gz YQLLYHFHGCSDNK-FQEVSTJZSA-N 2 1 367.537 4.051 20 0 FIADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000508567495 1109247533 /nfs/dbraw/zinc/24/75/33/1109247533.db2.gz YQLLYHFHGCSDNK-FQEVSTJZSA-N 2 1 367.537 4.051 20 0 FIADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000508567495 1109247538 /nfs/dbraw/zinc/24/75/38/1109247538.db2.gz YQLLYHFHGCSDNK-FQEVSTJZSA-N 2 1 367.537 4.051 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000446921213 1109389981 /nfs/dbraw/zinc/38/99/81/1109389981.db2.gz QPAAIFGNRCIOLU-LSWJPFSZSA-N 2 1 374.532 4.389 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000446921213 1109389985 /nfs/dbraw/zinc/38/99/85/1109389985.db2.gz QPAAIFGNRCIOLU-LSWJPFSZSA-N 2 1 374.532 4.389 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446938448 1109395603 /nfs/dbraw/zinc/39/56/03/1109395603.db2.gz ISHVNTZDOPYZPA-QGZVFWFLSA-N 2 1 369.734 4.405 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000447095360 1109441512 /nfs/dbraw/zinc/44/15/12/1109441512.db2.gz XROJQUZXQMJWDR-INIZCTEOSA-N 2 1 371.550 4.294 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000447095360 1109441514 /nfs/dbraw/zinc/44/15/14/1109441514.db2.gz XROJQUZXQMJWDR-INIZCTEOSA-N 2 1 371.550 4.294 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000447536045 1109572044 /nfs/dbraw/zinc/57/20/44/1109572044.db2.gz KQPDIQDGYPKPNS-FGTMMUONSA-N 2 1 356.510 4.356 20 0 FIADMP CSc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000447587745 1109587682 /nfs/dbraw/zinc/58/76/82/1109587682.db2.gz SBILUAMWVSMREC-ACDBMABISA-N 2 1 353.535 4.089 20 0 FIADMP CSc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000447587745 1109587685 /nfs/dbraw/zinc/58/76/85/1109587685.db2.gz SBILUAMWVSMREC-ACDBMABISA-N 2 1 353.535 4.089 20 0 FIADMP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000447577578 1109593402 /nfs/dbraw/zinc/59/34/02/1109593402.db2.gz IIYLVXGPLIGTLE-UEVCKROQSA-N 2 1 352.522 4.264 20 0 FIADMP CCO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000447577579 1109593685 /nfs/dbraw/zinc/59/36/85/1109593685.db2.gz IIYLVXGPLIGTLE-WTIAFYNJSA-N 2 1 352.522 4.264 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000447935779 1109682782 /nfs/dbraw/zinc/68/27/82/1109682782.db2.gz JRDRCTGQBLPENW-LAUBAEHRSA-N 2 1 366.534 4.107 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000447935779 1109682784 /nfs/dbraw/zinc/68/27/84/1109682784.db2.gz JRDRCTGQBLPENW-LAUBAEHRSA-N 2 1 366.534 4.107 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098399 1109691772 /nfs/dbraw/zinc/69/17/72/1109691772.db2.gz GKJDUSPKFQFHOW-WBMJQRKESA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098399 1109691775 /nfs/dbraw/zinc/69/17/75/1109691775.db2.gz GKJDUSPKFQFHOW-WBMJQRKESA-N 2 1 359.739 4.485 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000527298597 1109735265 /nfs/dbraw/zinc/73/52/65/1109735265.db2.gz PIMPSLYCXXGGES-PZJWPPBQSA-N 2 1 364.599 4.122 20 0 FIADMP C[C@H]([NH2+]CCCOc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544422444 1109792269 /nfs/dbraw/zinc/79/22/69/1109792269.db2.gz XXIIEMIBPMVVNK-IRXDYDNUSA-N 2 1 350.934 4.352 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C2CC2)cn1 ZINC000527841000 1109836297 /nfs/dbraw/zinc/83/62/97/1109836297.db2.gz FYTQJJZQGMUNHJ-JWNTYJGQSA-N 2 1 365.521 4.184 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C2CC2)cn1 ZINC000527841000 1109836302 /nfs/dbraw/zinc/83/63/02/1109836302.db2.gz FYTQJJZQGMUNHJ-JWNTYJGQSA-N 2 1 365.521 4.184 20 0 FIADMP c1c2cccnc2oc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049223 1109967869 /nfs/dbraw/zinc/96/78/69/1109967869.db2.gz RGZIZRMOFDSENN-RBBKRZOGSA-N 2 1 361.489 4.314 20 0 FIADMP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000449074899 1109973585 /nfs/dbraw/zinc/97/35/85/1109973585.db2.gz QALUXQFKRRBFRO-UHFFFAOYSA-N 2 1 373.585 4.157 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449079056 1109974393 /nfs/dbraw/zinc/97/43/93/1109974393.db2.gz ZGJIQDWRPXHMFP-BDJLRTHQSA-N 2 1 366.278 4.006 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000449137849 1109983758 /nfs/dbraw/zinc/98/37/58/1109983758.db2.gz YVLBEAMKXGJMCV-VGOFRKELSA-N 2 1 350.506 4.065 20 0 FIADMP COc1cc2ccccc2cc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000449144230 1109984948 /nfs/dbraw/zinc/98/49/48/1109984948.db2.gz SCEXINUZVSVYJA-UHFFFAOYSA-N 2 1 361.489 4.310 20 0 FIADMP Cc1ccc(N2CCC([NH2+]C3CCC(OC4CCCC4)CC3)CC2)[nH+]c1 ZINC000449165959 1109991027 /nfs/dbraw/zinc/99/10/27/1109991027.db2.gz YNVSPVDXBUUTPJ-UHFFFAOYSA-N 2 1 357.542 4.219 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449180886 1109993400 /nfs/dbraw/zinc/99/34/00/1109993400.db2.gz CUBKMISBFRGAPL-RTBURBONSA-N 2 1 366.553 4.244 20 0 FIADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329524 1110027877 /nfs/dbraw/zinc/02/78/77/1110027877.db2.gz IIGSFDRMCZJDIG-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329524 1110027880 /nfs/dbraw/zinc/02/78/80/1110027880.db2.gz IIGSFDRMCZJDIG-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329524 1110027884 /nfs/dbraw/zinc/02/78/84/1110027884.db2.gz IIGSFDRMCZJDIG-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329524 1110027888 /nfs/dbraw/zinc/02/78/88/1110027888.db2.gz IIGSFDRMCZJDIG-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449329524 1110027891 /nfs/dbraw/zinc/02/78/91/1110027891.db2.gz IIGSFDRMCZJDIG-GUYCJALGSA-N 2 1 363.477 4.004 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343626 1110034497 /nfs/dbraw/zinc/03/44/97/1110034497.db2.gz LXEBUXIIVXIMIV-VXKWHMMOSA-N 2 1 368.565 4.228 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449436842 1110077942 /nfs/dbraw/zinc/07/79/42/1110077942.db2.gz HFDZGWKALGWCRJ-YJBOKZPZSA-N 2 1 363.427 4.243 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449436842 1110077943 /nfs/dbraw/zinc/07/79/43/1110077943.db2.gz HFDZGWKALGWCRJ-YJBOKZPZSA-N 2 1 363.427 4.243 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449436839 1110078114 /nfs/dbraw/zinc/07/81/14/1110078114.db2.gz HFDZGWKALGWCRJ-CRAIPNDOSA-N 2 1 363.427 4.243 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449436839 1110078121 /nfs/dbraw/zinc/07/81/21/1110078121.db2.gz HFDZGWKALGWCRJ-CRAIPNDOSA-N 2 1 363.427 4.243 20 0 FIADMP C[N@@H+](CCCC(=O)c1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450655662 1110325153 /nfs/dbraw/zinc/32/51/53/1110325153.db2.gz UJLGRENURAWDKI-UHFFFAOYSA-N 2 1 365.521 4.283 20 0 FIADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000538394974 1111122318 /nfs/dbraw/zinc/12/23/18/1111122318.db2.gz VQGQPFGEPOTTEF-OAHLLOKOSA-N 2 1 363.933 4.010 20 0 FIADMP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000538409819 1111130377 /nfs/dbraw/zinc/13/03/77/1111130377.db2.gz YOEJQDVRKQPKJI-WZONZLPQSA-N 2 1 370.512 4.198 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797722 1111293981 /nfs/dbraw/zinc/29/39/81/1111293981.db2.gz VHVYQNDFWIECIP-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797722 1111293984 /nfs/dbraw/zinc/29/39/84/1111293984.db2.gz VHVYQNDFWIECIP-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797722 1111293987 /nfs/dbraw/zinc/29/39/87/1111293987.db2.gz VHVYQNDFWIECIP-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797722 1111293989 /nfs/dbraw/zinc/29/39/89/1111293989.db2.gz VHVYQNDFWIECIP-QAPCUYQASA-N 2 1 367.518 4.472 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000538796058 1111294294 /nfs/dbraw/zinc/29/42/94/1111294294.db2.gz MBHZYDRMTSGZPK-BSLALVQMSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000538796058 1111294298 /nfs/dbraw/zinc/29/42/98/1111294298.db2.gz MBHZYDRMTSGZPK-BSLALVQMSA-N 2 1 372.484 4.078 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799090 1111295758 /nfs/dbraw/zinc/29/57/58/1111295758.db2.gz MMWQXXMXTUHTMH-NSISKUIASA-N 2 1 374.525 4.238 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799090 1111295762 /nfs/dbraw/zinc/29/57/62/1111295762.db2.gz MMWQXXMXTUHTMH-NSISKUIASA-N 2 1 374.525 4.238 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)CC1CC1 ZINC000538949068 1111356018 /nfs/dbraw/zinc/35/60/18/1111356018.db2.gz PCRJVLDLCOJGIG-UHFFFAOYSA-N 2 1 368.525 4.071 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)CC1CC1 ZINC000538949068 1111356020 /nfs/dbraw/zinc/35/60/20/1111356020.db2.gz PCRJVLDLCOJGIG-UHFFFAOYSA-N 2 1 368.525 4.071 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000539045029 1111410143 /nfs/dbraw/zinc/41/01/43/1111410143.db2.gz ZAVNLMPCWNDJNH-XLIONFOSSA-N 2 1 371.594 4.483 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000539072429 1111419488 /nfs/dbraw/zinc/41/94/88/1111419488.db2.gz RMCHPOUSTDYFHY-CEXWTWQISA-N 2 1 370.537 4.388 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000539073710 1111419923 /nfs/dbraw/zinc/41/99/23/1111419923.db2.gz XISVMAAZUJIQSI-QGZVFWFLSA-N 2 1 365.521 4.262 20 0 FIADMP COc1cccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552033902 1111441622 /nfs/dbraw/zinc/44/16/22/1111441622.db2.gz XKKPPFRQUPFBDH-UHFFFAOYSA-N 2 1 352.522 4.271 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000539159284 1111455163 /nfs/dbraw/zinc/45/51/63/1111455163.db2.gz NQRIOTYOEHKUDX-OXQOHEQNSA-N 2 1 359.514 4.332 20 0 FIADMP CC(C)[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1 ZINC000539199947 1111468974 /nfs/dbraw/zinc/46/89/74/1111468974.db2.gz PRXXATQLIRCJSR-LJQANCHMSA-N 2 1 350.934 4.272 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000539260749 1111497882 /nfs/dbraw/zinc/49/78/82/1111497882.db2.gz HGIFUDCIVZITRY-JTDSTZFVSA-N 2 1 366.933 4.033 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000539305013 1111513572 /nfs/dbraw/zinc/51/35/72/1111513572.db2.gz ZDTIFCXGSGBYLM-SFHVURJKSA-N 2 1 351.332 4.364 20 0 FIADMP CN(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccsc1 ZINC000552040653 1111553968 /nfs/dbraw/zinc/55/39/68/1111553968.db2.gz IAERYXKTGBHCDK-HRTMPFAESA-N 2 1 371.594 4.384 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552056384 1111560050 /nfs/dbraw/zinc/56/00/50/1111560050.db2.gz ATHUTBIDRCTHCC-RXABAKJHSA-N 2 1 352.444 4.414 20 0 FIADMP FC(F)(F)Oc1cccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224316 1111624162 /nfs/dbraw/zinc/62/41/62/1111624162.db2.gz SPQWFENRFPKGPB-SCLBCKFNSA-N 2 1 354.416 4.110 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)c1 ZINC000552250224 1111628775 /nfs/dbraw/zinc/62/87/75/1111628775.db2.gz YSIDFTKPWRPYAY-QGZVFWFLSA-N 2 1 370.537 4.185 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)[C@H]2CCC[C@H]21 ZINC000552258325 1111638928 /nfs/dbraw/zinc/63/89/28/1111638928.db2.gz DMMDQSWACMCYPH-RXABAKJHSA-N 2 1 352.444 4.414 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000552252795 1111644935 /nfs/dbraw/zinc/64/49/35/1111644935.db2.gz XVJGUGLIJBGFAF-ORFBVSJDSA-N 2 1 350.506 4.023 20 0 FIADMP Cc1cccn2c(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cnc12 ZINC000552272905 1111654236 /nfs/dbraw/zinc/65/42/36/1111654236.db2.gz HOKIAPLMYLWGIA-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP COc1cc(F)cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552275209 1111655406 /nfs/dbraw/zinc/65/54/06/1111655406.db2.gz OEEUYTHJKYOVQN-UHFFFAOYSA-N 2 1 356.485 4.367 20 0 FIADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000552277186 1111656190 /nfs/dbraw/zinc/65/61/90/1111656190.db2.gz QPUTULRWORPCRM-DXBBTUNJSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000552281683 1111658782 /nfs/dbraw/zinc/65/87/82/1111658782.db2.gz GLMOTNNRPVZVEJ-NXWXRZEISA-N 2 1 354.460 4.465 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]CCC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000552362757 1111685784 /nfs/dbraw/zinc/68/57/84/1111685784.db2.gz LHKSELIFWAIATE-QHCPKHFHSA-N 2 1 370.581 4.475 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479460996 1112032150 /nfs/dbraw/zinc/03/21/50/1112032150.db2.gz AGNNTGHITLJLQP-NQIIRXRSSA-N 2 1 354.469 4.151 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000479466712 1112041495 /nfs/dbraw/zinc/04/14/95/1112041495.db2.gz SECMIBBATYRHGD-SJLPKXTDSA-N 2 1 372.484 4.016 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000479466712 1112041500 /nfs/dbraw/zinc/04/15/00/1112041500.db2.gz SECMIBBATYRHGD-SJLPKXTDSA-N 2 1 372.484 4.016 20 0 FIADMP Brc1ccc2oc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2c1 ZINC000667564205 1112161776 /nfs/dbraw/zinc/16/17/76/1112161776.db2.gz FGMNFFOJRXPTFY-UHFFFAOYSA-N 2 1 360.255 4.298 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCCO2 ZINC000479861417 1112177571 /nfs/dbraw/zinc/17/75/71/1112177571.db2.gz QIDFNSOHNUGZFS-JOCHJYFZSA-N 2 1 350.506 4.463 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)CC23CCCCC3)cc1)C(C)C ZINC000480067811 1112267811 /nfs/dbraw/zinc/26/78/11/1112267811.db2.gz NIKMEUANFWRLCQ-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1)C(C)C ZINC000480067811 1112267814 /nfs/dbraw/zinc/26/78/14/1112267814.db2.gz NIKMEUANFWRLCQ-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1)C(C)C ZINC000480067811 1112267818 /nfs/dbraw/zinc/26/78/18/1112267818.db2.gz NIKMEUANFWRLCQ-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP COC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1F ZINC000554348764 1112310739 /nfs/dbraw/zinc/31/07/39/1112310739.db2.gz GNWPGSDQIXMCTF-GOSISDBHSA-N 2 1 350.865 4.018 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000480167120 1112313060 /nfs/dbraw/zinc/31/30/60/1112313060.db2.gz HPTYLTGRGXKURK-HNNXBMFYSA-N 2 1 360.933 4.359 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000480174143 1112316216 /nfs/dbraw/zinc/31/62/16/1112316216.db2.gz YJFWWAVXVISJOG-GOSISDBHSA-N 2 1 354.542 4.323 20 0 FIADMP OCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000554361085 1112316762 /nfs/dbraw/zinc/31/67/62/1112316762.db2.gz QERVLTAQBHYAGL-OAQYLSRUSA-N 2 1 358.913 4.018 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)cc(F)c1 ZINC000480229359 1112340379 /nfs/dbraw/zinc/34/03/79/1112340379.db2.gz PXPPJKWEGHDLHZ-BBWFWOEESA-N 2 1 374.475 4.425 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000480249162 1112349890 /nfs/dbraw/zinc/34/98/90/1112349890.db2.gz DFTLZIXKRUDHFM-GOSISDBHSA-N 2 1 357.542 4.119 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000480249162 1112349895 /nfs/dbraw/zinc/34/98/95/1112349895.db2.gz DFTLZIXKRUDHFM-GOSISDBHSA-N 2 1 357.542 4.119 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000480615895 1112502994 /nfs/dbraw/zinc/50/29/94/1112502994.db2.gz VTHIATNWBXTJCR-OALUTQOASA-N 2 1 369.557 4.047 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000480604883 1112504873 /nfs/dbraw/zinc/50/48/73/1112504873.db2.gz GCOFDOOYFDFTKW-JKSUJKDBSA-N 2 1 352.494 4.148 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccc1OC(F)F ZINC000480606302 1112506368 /nfs/dbraw/zinc/50/63/68/1112506368.db2.gz CSQZKNKBVODTMD-HOTGVXAUSA-N 2 1 370.484 4.459 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccc1OC(F)F ZINC000480606301 1112506534 /nfs/dbraw/zinc/50/65/34/1112506534.db2.gz CSQZKNKBVODTMD-CVEARBPZSA-N 2 1 370.484 4.459 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000554893229 1112557909 /nfs/dbraw/zinc/55/79/09/1112557909.db2.gz OIPQFPUUQSVLNT-OPYAIIAOSA-N 2 1 354.542 4.139 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710632 1112565076 /nfs/dbraw/zinc/56/50/76/1112565076.db2.gz PHRUIMJWQCUJBI-IRMYBRCSSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710632 1112565082 /nfs/dbraw/zinc/56/50/82/1112565082.db2.gz PHRUIMJWQCUJBI-IRMYBRCSSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710632 1112565083 /nfs/dbraw/zinc/56/50/83/1112565083.db2.gz PHRUIMJWQCUJBI-IRMYBRCSSA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480710632 1112565087 /nfs/dbraw/zinc/56/50/87/1112565087.db2.gz PHRUIMJWQCUJBI-IRMYBRCSSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000480710632 1112565096 /nfs/dbraw/zinc/56/50/96/1112565096.db2.gz PHRUIMJWQCUJBI-IRMYBRCSSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710632 1112565100 /nfs/dbraw/zinc/56/51/00/1112565100.db2.gz PHRUIMJWQCUJBI-IRMYBRCSSA-N 2 1 369.597 4.140 20 0 FIADMP C[C@@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000480710632 1112565107 /nfs/dbraw/zinc/56/51/07/1112565107.db2.gz PHRUIMJWQCUJBI-IRMYBRCSSA-N 2 1 369.597 4.140 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480741846 1112580948 /nfs/dbraw/zinc/58/09/48/1112580948.db2.gz BKRLXMMDDDZMCK-BMGDILEWSA-N 2 1 358.917 4.112 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480741846 1112580952 /nfs/dbraw/zinc/58/09/52/1112580952.db2.gz BKRLXMMDDDZMCK-BMGDILEWSA-N 2 1 358.917 4.112 20 0 FIADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480744275 1112583172 /nfs/dbraw/zinc/58/31/72/1112583172.db2.gz YFLYOXDUVBMKPJ-SJXGUFTOSA-N 2 1 357.325 4.366 20 0 FIADMP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914690 1112668379 /nfs/dbraw/zinc/66/83/79/1112668379.db2.gz VFOMUZMYYHTFRX-CYFREDJKSA-N 2 1 363.549 4.162 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000481241242 1112823168 /nfs/dbraw/zinc/82/31/68/1112823168.db2.gz JZRKZDHLFZPZDN-BEFAXECRSA-N 2 1 373.368 4.263 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000481304499 1112877174 /nfs/dbraw/zinc/87/71/74/1112877174.db2.gz HRCVNHQQYIHBDA-SFHVURJKSA-N 2 1 350.506 4.340 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000481330980 1112903379 /nfs/dbraw/zinc/90/33/79/1112903379.db2.gz FHCIRRRIOJUFPD-QGZVFWFLSA-N 2 1 352.478 4.039 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536834 1112913442 /nfs/dbraw/zinc/91/34/42/1112913442.db2.gz ABJGDEPZEZCZIM-DOTOQJQBSA-N 2 1 365.359 4.016 20 0 FIADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C1 ZINC000899877868 1113041560 /nfs/dbraw/zinc/04/15/60/1113041560.db2.gz KGCNLWXUFBEUKJ-GUYCJALGSA-N 2 1 365.399 4.054 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000481731886 1113058616 /nfs/dbraw/zinc/05/86/16/1113058616.db2.gz GCZOFFFLXXLBBV-FXAWDEMLSA-N 2 1 366.977 4.344 20 0 FIADMP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794402 1113119696 /nfs/dbraw/zinc/11/96/96/1113119696.db2.gz HZNOZXVWNIYHFG-HUBLWGQQSA-N 2 1 351.288 4.329 20 0 FIADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2cc(Br)ccc2o1 ZINC000157794402 1113119699 /nfs/dbraw/zinc/11/96/99/1113119699.db2.gz HZNOZXVWNIYHFG-HUBLWGQQSA-N 2 1 351.288 4.329 20 0 FIADMP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000482158205 1113186904 /nfs/dbraw/zinc/18/69/04/1113186904.db2.gz PDKRWOOIGGZFEK-UHFFFAOYSA-N 2 1 372.896 4.012 20 0 FIADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000482159206 1113187292 /nfs/dbraw/zinc/18/72/92/1113187292.db2.gz WFKUQNTUNHAMNF-QFIPXVFZSA-N 2 1 364.533 4.008 20 0 FIADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000482159206 1113187294 /nfs/dbraw/zinc/18/72/94/1113187294.db2.gz WFKUQNTUNHAMNF-QFIPXVFZSA-N 2 1 364.533 4.008 20 0 FIADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482159206 1113187295 /nfs/dbraw/zinc/18/72/95/1113187295.db2.gz WFKUQNTUNHAMNF-QFIPXVFZSA-N 2 1 364.533 4.008 20 0 FIADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1Cl ZINC000482161282 1113188078 /nfs/dbraw/zinc/18/80/78/1113188078.db2.gz DNVKSHOHSHZDHD-SOLBZPMBSA-N 2 1 365.949 4.157 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1c(Cl)cccc1Cl ZINC000482172187 1113192004 /nfs/dbraw/zinc/19/20/04/1113192004.db2.gz RSCZTRSEVPAJRF-ZMYBRWDISA-N 2 1 371.352 4.110 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)c1 ZINC000482240603 1113207534 /nfs/dbraw/zinc/20/75/34/1113207534.db2.gz HGYLHLCALTZPFT-LJQANCHMSA-N 2 1 370.562 4.117 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)c1 ZINC000482240603 1113207536 /nfs/dbraw/zinc/20/75/36/1113207536.db2.gz HGYLHLCALTZPFT-LJQANCHMSA-N 2 1 370.562 4.117 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000482340828 1113229959 /nfs/dbraw/zinc/22/99/59/1113229959.db2.gz BWKLDFTVEVIRCZ-ZIAGYGMSSA-N 2 1 357.311 4.359 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441436 1113257352 /nfs/dbraw/zinc/25/73/52/1113257352.db2.gz VBGJVNANOBGTBG-RBBKRZOGSA-N 2 1 374.532 4.088 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456583 1113260886 /nfs/dbraw/zinc/26/08/86/1113260886.db2.gz ZKENXKZIHJKEOM-KNQAVFIVSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482456583 1113260889 /nfs/dbraw/zinc/26/08/89/1113260889.db2.gz ZKENXKZIHJKEOM-KNQAVFIVSA-N 2 1 368.496 4.194 20 0 FIADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482448438 1113262076 /nfs/dbraw/zinc/26/20/76/1113262076.db2.gz NWMQQTFPPXUWCS-CTNGQTDRSA-N 2 1 352.522 4.219 20 0 FIADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482448438 1113262077 /nfs/dbraw/zinc/26/20/77/1113262077.db2.gz NWMQQTFPPXUWCS-CTNGQTDRSA-N 2 1 352.522 4.219 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000482462123 1113268361 /nfs/dbraw/zinc/26/83/61/1113268361.db2.gz UVTZSSFLJFSYGV-NTKDMRAZSA-N 2 1 374.532 4.028 20 0 FIADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000482678085 1113328417 /nfs/dbraw/zinc/32/84/17/1113328417.db2.gz JZGMKTKCBULESQ-FQEVSTJZSA-N 2 1 368.569 4.050 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000482678085 1113328420 /nfs/dbraw/zinc/32/84/20/1113328420.db2.gz JZGMKTKCBULESQ-FQEVSTJZSA-N 2 1 368.569 4.050 20 0 FIADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000482729712 1113341795 /nfs/dbraw/zinc/34/17/95/1113341795.db2.gz CWMMYORMJSRBBG-MJGOQNOKSA-N 2 1 365.443 4.217 20 0 FIADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000482729712 1113341799 /nfs/dbraw/zinc/34/17/99/1113341799.db2.gz CWMMYORMJSRBBG-MJGOQNOKSA-N 2 1 365.443 4.217 20 0 FIADMP COc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000486522133 1113587878 /nfs/dbraw/zinc/58/78/78/1113587878.db2.gz YCJRZYCGTHPXMR-ICSRJNTNSA-N 2 1 368.521 4.012 20 0 FIADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000486521728 1113590337 /nfs/dbraw/zinc/59/03/37/1113590337.db2.gz XAIMUVYCQQSQBA-YLJYHZDGSA-N 2 1 370.562 4.417 20 0 FIADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000486925136 1113677407 /nfs/dbraw/zinc/67/74/07/1113677407.db2.gz LBCWONLLSVMSGY-QGZVFWFLSA-N 2 1 362.514 4.288 20 0 FIADMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000486925136 1113677409 /nfs/dbraw/zinc/67/74/09/1113677409.db2.gz LBCWONLLSVMSGY-QGZVFWFLSA-N 2 1 362.514 4.288 20 0 FIADMP Cc1ccc(CCC[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000668713685 1113681529 /nfs/dbraw/zinc/68/15/29/1113681529.db2.gz XXAVZDQBDQEDGB-QHCPKHFHSA-N 2 1 363.549 4.215 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000486938672 1113684681 /nfs/dbraw/zinc/68/46/81/1113684681.db2.gz JDHJXSIRLOYBIO-UHFFFAOYSA-N 2 1 366.431 4.060 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CS1 ZINC000488427657 1113927892 /nfs/dbraw/zinc/92/78/92/1113927892.db2.gz VINWYCPINMENKB-RYRKJORJSA-N 2 1 352.613 4.470 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CS1 ZINC000488427657 1113927894 /nfs/dbraw/zinc/92/78/94/1113927894.db2.gz VINWYCPINMENKB-RYRKJORJSA-N 2 1 352.613 4.470 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)[C@H](C)C1 ZINC000488445347 1113933420 /nfs/dbraw/zinc/93/34/20/1113933420.db2.gz FRQKCBYZDFIVPS-ADHNFCLRSA-N 2 1 358.570 4.439 20 0 FIADMP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387316 1114096269 /nfs/dbraw/zinc/09/62/69/1114096269.db2.gz KMHXOLCTSBIUHZ-YRXWBPOGSA-N 2 1 354.629 4.097 20 0 FIADMP C(C[NH+]1CCS[C@H]2CCCC[C@H]21)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000489387316 1114096273 /nfs/dbraw/zinc/09/62/73/1114096273.db2.gz KMHXOLCTSBIUHZ-YRXWBPOGSA-N 2 1 354.629 4.097 20 0 FIADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988139 1114359611 /nfs/dbraw/zinc/35/96/11/1114359611.db2.gz OOAFNTGYNCUZIE-XQBPLPMBSA-N 2 1 357.586 4.003 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000491019704 1114362141 /nfs/dbraw/zinc/36/21/41/1114362141.db2.gz LGESSCDMXFYBPT-RCZVLFRGSA-N 2 1 371.528 4.325 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000163892128 1114409737 /nfs/dbraw/zinc/40/97/37/1114409737.db2.gz MSJXUMIUVQRSCJ-QGZVFWFLSA-N 2 1 374.488 4.158 20 0 FIADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710619 1114602060 /nfs/dbraw/zinc/60/20/60/1114602060.db2.gz KFYJXOZIPMGACW-IXDOHACOSA-N 2 1 350.934 4.222 20 0 FIADMP CSc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000572895397 1114805191 /nfs/dbraw/zinc/80/51/91/1114805191.db2.gz WLOITPPZQXYGJA-IYBDPMFKSA-N 2 1 368.612 4.181 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000589837424 1114847557 /nfs/dbraw/zinc/84/75/57/1114847557.db2.gz ULLWOBQPXIEOGO-KDURUIRLSA-N 2 1 354.542 4.233 20 0 FIADMP CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000573867872 1115192833 /nfs/dbraw/zinc/19/28/33/1115192833.db2.gz JYQPPULGFZCSFY-XKCSPQBFSA-N 2 1 367.537 4.326 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000574013318 1115230199 /nfs/dbraw/zinc/23/01/99/1115230199.db2.gz ADYJECMHCCZUPB-LJQANCHMSA-N 2 1 370.294 4.104 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC000574062427 1115288228 /nfs/dbraw/zinc/28/82/28/1115288228.db2.gz TZZIUVHSOJESPB-LZJOCLMNSA-N 2 1 368.512 4.013 20 0 FIADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C1CCCCC1 ZINC000593720237 1115340200 /nfs/dbraw/zinc/34/02/00/1115340200.db2.gz QMKDFMVHJIEUKS-OSPHWJPCSA-N 2 1 350.572 4.119 20 0 FIADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C1CCCCC1 ZINC000593720237 1115340203 /nfs/dbraw/zinc/34/02/03/1115340203.db2.gz QMKDFMVHJIEUKS-OSPHWJPCSA-N 2 1 350.572 4.119 20 0 FIADMP c1cn(-c2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)cn1 ZINC000574633466 1115430675 /nfs/dbraw/zinc/43/06/75/1115430675.db2.gz UJYRLWGBMOBXHY-VILGAWFOSA-N 2 1 372.516 4.158 20 0 FIADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCCC2)cc1 ZINC000594502264 1115451841 /nfs/dbraw/zinc/45/18/41/1115451841.db2.gz XDQCJGUMVNXJLR-QFIPXVFZSA-N 2 1 356.554 4.023 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000595023439 1115505166 /nfs/dbraw/zinc/50/51/66/1115505166.db2.gz YDJUODVUQIVOHI-JKSUJKDBSA-N 2 1 357.498 4.199 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000595025274 1115505260 /nfs/dbraw/zinc/50/52/60/1115505260.db2.gz KSDDXENBEWOVEU-TXPKVOOTSA-N 2 1 366.571 4.089 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000595025274 1115505262 /nfs/dbraw/zinc/50/52/62/1115505262.db2.gz KSDDXENBEWOVEU-TXPKVOOTSA-N 2 1 366.571 4.089 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OCc2ccccn2)c1 ZINC000574868622 1115515089 /nfs/dbraw/zinc/51/50/89/1115515089.db2.gz JKUFTIAXIRIOSC-GMWOSMDTSA-N 2 1 359.473 4.456 20 0 FIADMP CCOc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(Cl)c1OC ZINC000061003180 1115748632 /nfs/dbraw/zinc/74/86/32/1115748632.db2.gz OWVDLQDYBZNIAY-UHFFFAOYSA-N 2 1 354.922 4.146 20 0 FIADMP COc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683861 1115782492 /nfs/dbraw/zinc/78/24/92/1115782492.db2.gz YTDFSULSLHMRBH-HKUYNNGSSA-N 2 1 356.485 4.225 20 0 FIADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000607279432 1116014789 /nfs/dbraw/zinc/01/47/89/1116014789.db2.gz WCWIBVQGGQTPHU-QZTJIDSGSA-N 2 1 357.542 4.262 20 0 FIADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358128 1116022627 /nfs/dbraw/zinc/02/26/27/1116022627.db2.gz AXYABDXCPOTRAT-HXUWFJFHSA-N 2 1 352.522 4.066 20 0 FIADMP C[NH+](CCOC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358128 1116022628 /nfs/dbraw/zinc/02/26/28/1116022628.db2.gz AXYABDXCPOTRAT-HXUWFJFHSA-N 2 1 352.522 4.066 20 0 FIADMP C[NH+](CCOC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358128 1116022630 /nfs/dbraw/zinc/02/26/30/1116022630.db2.gz AXYABDXCPOTRAT-HXUWFJFHSA-N 2 1 352.522 4.066 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000509448703 1116198573 /nfs/dbraw/zinc/19/85/73/1116198573.db2.gz NTGUPELACXAHOP-QHCPKHFHSA-N 2 1 362.517 4.353 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546869556 1116236352 /nfs/dbraw/zinc/23/63/52/1116236352.db2.gz AHZHMZLALAQKOU-OAQYLSRUSA-N 2 1 357.929 4.483 20 0 FIADMP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1C)Cc1cccs1 ZINC000534956086 1116256072 /nfs/dbraw/zinc/25/60/72/1116256072.db2.gz RBPATAMKNJEKSS-UHFFFAOYSA-N 2 1 355.507 4.354 20 0 FIADMP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1C)Cc1cccs1 ZINC000534956086 1116256074 /nfs/dbraw/zinc/25/60/74/1116256074.db2.gz RBPATAMKNJEKSS-UHFFFAOYSA-N 2 1 355.507 4.354 20 0 FIADMP CCN(Cc1cc(OC)cc(C)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000535286135 1116290315 /nfs/dbraw/zinc/29/03/15/1116290315.db2.gz YONXTHZMBJKOJH-NQIIRXRSSA-N 2 1 353.510 4.056 20 0 FIADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000539652008 1116358732 /nfs/dbraw/zinc/35/87/32/1116358732.db2.gz BSPZBVYVGFPSGM-APWZRJJASA-N 2 1 356.510 4.037 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000539831491 1116388535 /nfs/dbraw/zinc/38/85/35/1116388535.db2.gz IMVZEBJJCAWQBB-PGRDOPGGSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000539831491 1116388537 /nfs/dbraw/zinc/38/85/37/1116388537.db2.gz IMVZEBJJCAWQBB-PGRDOPGGSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831491 1116388539 /nfs/dbraw/zinc/38/85/39/1116388539.db2.gz IMVZEBJJCAWQBB-PGRDOPGGSA-N 2 1 350.506 4.106 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000539831491 1116388541 /nfs/dbraw/zinc/38/85/41/1116388541.db2.gz IMVZEBJJCAWQBB-PGRDOPGGSA-N 2 1 350.506 4.106 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000462673209 1116391177 /nfs/dbraw/zinc/39/11/77/1116391177.db2.gz FFNBGZIJIUIKEA-MRXNPFEDSA-N 2 1 360.933 4.188 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000462673209 1116391180 /nfs/dbraw/zinc/39/11/80/1116391180.db2.gz FFNBGZIJIUIKEA-MRXNPFEDSA-N 2 1 360.933 4.188 20 0 FIADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000462747961 1117750601 /nfs/dbraw/zinc/75/06/01/1117750601.db2.gz YTABBXQJDNXHSN-FQEVSTJZSA-N 2 1 357.586 4.141 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000462790289 1117773961 /nfs/dbraw/zinc/77/39/61/1117773961.db2.gz SXPPBUXRCRCGEI-XKCSPQBFSA-N 2 1 356.554 4.144 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1)CC1CC1 ZINC000539957967 1117776469 /nfs/dbraw/zinc/77/64/69/1117776469.db2.gz WIIZDXYEPHYMOI-UHFFFAOYSA-N 2 1 366.553 4.411 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000462797161 1117778847 /nfs/dbraw/zinc/77/88/47/1117778847.db2.gz BIDSUPHJHMVTOO-GOSISDBHSA-N 2 1 354.542 4.294 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1)CC1CC1 ZINC000540046514 1117827502 /nfs/dbraw/zinc/82/75/02/1117827502.db2.gz FPIVFAWVTAYOLG-UHFFFAOYSA-N 2 1 371.569 4.076 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000540172799 1117913629 /nfs/dbraw/zinc/91/36/29/1117913629.db2.gz WPMMIAOWBYPUSQ-SFHVURJKSA-N 2 1 370.537 4.265 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000540189328 1117921607 /nfs/dbraw/zinc/92/16/07/1117921607.db2.gz AUNCOPTVAXCOBO-KRWDZBQOSA-N 2 1 356.432 4.425 20 0 FIADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463070594 1117956568 /nfs/dbraw/zinc/95/65/68/1117956568.db2.gz FXQPJRZOIMWBLK-QGZVFWFLSA-N 2 1 356.485 4.192 20 0 FIADMP CSc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463081873 1117960623 /nfs/dbraw/zinc/96/06/23/1117960623.db2.gz ACYYZHQGRAXCLM-UHFFFAOYSA-N 2 1 358.526 4.344 20 0 FIADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463086863 1117966088 /nfs/dbraw/zinc/96/60/88/1117966088.db2.gz UGAGQVRQBMZDIA-GCJKJVERSA-N 2 1 362.533 4.018 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000463113274 1117969508 /nfs/dbraw/zinc/96/95/08/1117969508.db2.gz BIIXSBUWKDGXCU-PKOBYXMFSA-N 2 1 357.567 4.452 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000463113274 1117969510 /nfs/dbraw/zinc/96/95/10/1117969510.db2.gz BIIXSBUWKDGXCU-PKOBYXMFSA-N 2 1 357.567 4.452 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C2CC2)cc1 ZINC000540302125 1117976045 /nfs/dbraw/zinc/97/60/45/1117976045.db2.gz QMPVIDGCHGEKDG-NTKDMRAZSA-N 2 1 364.533 4.457 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C2CC2)cc1 ZINC000540302125 1117976047 /nfs/dbraw/zinc/97/60/47/1117976047.db2.gz QMPVIDGCHGEKDG-NTKDMRAZSA-N 2 1 364.533 4.457 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463130452 1117976288 /nfs/dbraw/zinc/97/62/88/1117976288.db2.gz WLOUKFLQOMRANR-IPJJNNNSSA-N 2 1 352.522 4.269 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463130452 1117976291 /nfs/dbraw/zinc/97/62/91/1117976291.db2.gz WLOUKFLQOMRANR-IPJJNNNSSA-N 2 1 352.522 4.269 20 0 FIADMP C[C@H]1C[C@H](NCCC[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463130735 1117978457 /nfs/dbraw/zinc/97/84/57/1117978457.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@H]1C[C@H](NCCC[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130735 1117978460 /nfs/dbraw/zinc/97/84/60/1117978460.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 2 1 365.565 4.151 20 0 FIADMP C[C@H]1C[C@H](NCCC[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463130735 1117978465 /nfs/dbraw/zinc/97/84/65/1117978465.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 2 1 365.565 4.151 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463155788 1117995071 /nfs/dbraw/zinc/99/50/71/1117995071.db2.gz PJAXBAAVRIAVDD-XLIONFOSSA-N 2 1 356.485 4.367 20 0 FIADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463155788 1117995075 /nfs/dbraw/zinc/99/50/75/1117995075.db2.gz PJAXBAAVRIAVDD-XLIONFOSSA-N 2 1 356.485 4.367 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188879 1118007057 /nfs/dbraw/zinc/00/70/57/1118007057.db2.gz FKRDNPSABDVSFQ-NFBKMPQASA-N 2 1 374.532 4.323 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188879 1118007063 /nfs/dbraw/zinc/00/70/63/1118007063.db2.gz FKRDNPSABDVSFQ-NFBKMPQASA-N 2 1 374.532 4.323 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Oc1ccc(F)cc1 ZINC000463188863 1118007271 /nfs/dbraw/zinc/00/72/71/1118007271.db2.gz FDDCPMTZGXNEIW-KRWDZBQOSA-N 2 1 374.475 4.029 20 0 FIADMP CCO[C@@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000463194965 1118010656 /nfs/dbraw/zinc/01/06/56/1118010656.db2.gz XMKQFHDAXPXGRL-QHCPKHFHSA-N 2 1 358.570 4.269 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1F ZINC000463187985 1118017306 /nfs/dbraw/zinc/01/73/06/1118017306.db2.gz AFYRSUUBLPTTCU-KRWDZBQOSA-N 2 1 358.476 4.365 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000463206142 1118020701 /nfs/dbraw/zinc/02/07/01/1118020701.db2.gz OVSBQVWXMOYCRW-NZQKXSOJSA-N 2 1 352.497 4.053 20 0 FIADMP CCO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251294 1118060895 /nfs/dbraw/zinc/06/08/95/1118060895.db2.gz CZEDDWIOJVOGTB-WTIAFYNJSA-N 2 1 352.522 4.407 20 0 FIADMP CCO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251294 1118060899 /nfs/dbraw/zinc/06/08/99/1118060899.db2.gz CZEDDWIOJVOGTB-WTIAFYNJSA-N 2 1 352.522 4.407 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463275364 1118074716 /nfs/dbraw/zinc/07/47/16/1118074716.db2.gz VHNJOXZKKDLLSW-YJBOKZPZSA-N 2 1 362.439 4.289 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463275364 1118074719 /nfs/dbraw/zinc/07/47/19/1118074719.db2.gz VHNJOXZKKDLLSW-YJBOKZPZSA-N 2 1 362.439 4.289 20 0 FIADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CCCC4CCOCC4)CC[C@@H]32)cc1 ZINC000463293164 1118076788 /nfs/dbraw/zinc/07/67/88/1118076788.db2.gz DVKSUPSKBMTOBP-GOTSBHOMSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CCCC4CCOCC4)CC[C@@H]32)cc1 ZINC000463293164 1118076797 /nfs/dbraw/zinc/07/67/97/1118076797.db2.gz DVKSUPSKBMTOBP-GOTSBHOMSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CCCC4CCOCC4)CC[C@@H]32)cc1 ZINC000463293164 1118076803 /nfs/dbraw/zinc/07/68/03/1118076803.db2.gz DVKSUPSKBMTOBP-GOTSBHOMSA-N 2 1 356.554 4.180 20 0 FIADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463290377 1118085479 /nfs/dbraw/zinc/08/54/79/1118085479.db2.gz STJKBJDQFDSFHB-FGZHOGPDSA-N 2 1 362.533 4.016 20 0 FIADMP CSCc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463291626 1118087088 /nfs/dbraw/zinc/08/70/88/1118087088.db2.gz XINMBKGHJDCBKZ-UHFFFAOYSA-N 2 1 372.553 4.485 20 0 FIADMP CCc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)cc1 ZINC000540988758 1118339137 /nfs/dbraw/zinc/33/91/37/1118339137.db2.gz OKZBKGBZNQCNEC-BJKOFHAPSA-N 2 1 366.549 4.303 20 0 FIADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000540992167 1118342086 /nfs/dbraw/zinc/34/20/86/1118342086.db2.gz VTPMGSYITYDTFY-DENIHFKCSA-N 2 1 352.522 4.111 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@H](c4ccccc4)[C@@H]3C)CCCC2)CC1 ZINC000464087646 1118442076 /nfs/dbraw/zinc/44/20/76/1118442076.db2.gz BMFAGRVICYTAAK-YUXAGFNASA-N 2 1 356.554 4.192 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)CCCc2ccccc2Br)CC1 ZINC000541350117 1118482848 /nfs/dbraw/zinc/48/28/48/1118482848.db2.gz UKUOXLZRVWTZSX-UHFFFAOYSA-N 2 1 353.348 4.186 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546619 1118551224 /nfs/dbraw/zinc/55/12/24/1118551224.db2.gz FZFGZLBISVOCJG-XMSQKQJNSA-N 2 1 355.501 4.412 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546617 1118551275 /nfs/dbraw/zinc/55/12/75/1118551275.db2.gz FZFGZLBISVOCJG-GCJKJVERSA-N 2 1 355.501 4.412 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000541738764 1118627198 /nfs/dbraw/zinc/62/71/98/1118627198.db2.gz OYIGZMXYUSVTNM-QYRPDUKASA-N 2 1 369.578 4.445 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000464774040 1118689389 /nfs/dbraw/zinc/68/93/89/1118689389.db2.gz HOSIDGLPBKTPOK-QFIPXVFZSA-N 2 1 352.522 4.429 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000464774040 1118689391 /nfs/dbraw/zinc/68/93/91/1118689391.db2.gz HOSIDGLPBKTPOK-QFIPXVFZSA-N 2 1 352.522 4.429 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000464781422 1118692732 /nfs/dbraw/zinc/69/27/32/1118692732.db2.gz ZJBCYLOLKUNEKJ-LJQANCHMSA-N 2 1 362.521 4.165 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000464781422 1118692734 /nfs/dbraw/zinc/69/27/34/1118692734.db2.gz ZJBCYLOLKUNEKJ-LJQANCHMSA-N 2 1 362.521 4.165 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000541955748 1118720842 /nfs/dbraw/zinc/72/08/42/1118720842.db2.gz RNFIGRVTSFXXPA-ZWKOTPCHSA-N 2 1 370.541 4.162 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852969 1118987086 /nfs/dbraw/zinc/98/70/86/1118987086.db2.gz PBFWUKMFNAOXBG-FUKQBSRTSA-N 2 1 352.522 4.405 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852969 1118987087 /nfs/dbraw/zinc/98/70/87/1118987087.db2.gz PBFWUKMFNAOXBG-FUKQBSRTSA-N 2 1 352.522 4.405 20 0 FIADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442521 1118988223 /nfs/dbraw/zinc/98/82/23/1118988223.db2.gz VWPLVJJWKFJUTQ-AUSIDOKSSA-N 2 1 352.497 4.137 20 0 FIADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442521 1118988226 /nfs/dbraw/zinc/98/82/26/1118988226.db2.gz VWPLVJJWKFJUTQ-AUSIDOKSSA-N 2 1 352.497 4.137 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000492113410 1119027229 /nfs/dbraw/zinc/02/72/29/1119027229.db2.gz YNBDVHXEPCJOEJ-HTAPYJJXSA-N 2 1 370.562 4.047 20 0 FIADMP C[C@H](NCc1coc(-c2cccs2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492463001 1119098228 /nfs/dbraw/zinc/09/82/28/1119098228.db2.gz HRXMWOYZGFQBQA-WMZOPIPTSA-N 2 1 367.518 4.403 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782508 1119151124 /nfs/dbraw/zinc/15/11/24/1119151124.db2.gz DVIQIKIALVBBON-GCJKJVERSA-N 2 1 365.521 4.101 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782508 1119151127 /nfs/dbraw/zinc/15/11/27/1119151127.db2.gz DVIQIKIALVBBON-GCJKJVERSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782508 1119151131 /nfs/dbraw/zinc/15/11/31/1119151131.db2.gz DVIQIKIALVBBON-GCJKJVERSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC000174782508 1119151134 /nfs/dbraw/zinc/15/11/34/1119151134.db2.gz DVIQIKIALVBBON-GCJKJVERSA-N 2 1 365.521 4.101 20 0 FIADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168447574 1119292539 /nfs/dbraw/zinc/29/25/39/1119292539.db2.gz XZGKWZGHWTZJTD-QHCPKHFHSA-N 2 1 370.487 4.419 20 0 FIADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168447574 1119292541 /nfs/dbraw/zinc/29/25/41/1119292541.db2.gz XZGKWZGHWTZJTD-QHCPKHFHSA-N 2 1 370.487 4.419 20 0 FIADMP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cn(-c3cc[nH+]cc3)nc1C)CCC2 ZINC000542464984 1119302294 /nfs/dbraw/zinc/30/22/94/1119302294.db2.gz YOGQKFGMEIKGRI-GOSISDBHSA-N 2 1 367.522 4.104 20 0 FIADMP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn(-c3cc[nH+]cc3)nc1C)CCC2 ZINC000542464984 1119302297 /nfs/dbraw/zinc/30/22/97/1119302297.db2.gz YOGQKFGMEIKGRI-GOSISDBHSA-N 2 1 367.522 4.104 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311066297 1119356476 /nfs/dbraw/zinc/35/64/76/1119356476.db2.gz JKVJXSWGIMAYNZ-WMZOPIPTSA-N 2 1 357.567 4.441 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311066297 1119356480 /nfs/dbraw/zinc/35/64/80/1119356480.db2.gz JKVJXSWGIMAYNZ-WMZOPIPTSA-N 2 1 357.567 4.441 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000178392161 1119387645 /nfs/dbraw/zinc/38/76/45/1119387645.db2.gz BWHZGCNLNWYGJD-GOSISDBHSA-N 2 1 368.525 4.213 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000178392161 1119387648 /nfs/dbraw/zinc/38/76/48/1119387648.db2.gz BWHZGCNLNWYGJD-GOSISDBHSA-N 2 1 368.525 4.213 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311807399 1119389599 /nfs/dbraw/zinc/38/95/99/1119389599.db2.gz LHQQEMSQCKHTJH-NNWRFLSQSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311863739 1119392997 /nfs/dbraw/zinc/39/29/97/1119392997.db2.gz VOPDMBSJSLOOHB-BVSLBCMMSA-N 2 1 356.554 4.369 20 0 FIADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000178520314 1119394845 /nfs/dbraw/zinc/39/48/45/1119394845.db2.gz ZGYSEKUNCDSBIJ-SFHVURJKSA-N 2 1 359.341 4.271 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000312112554 1119402288 /nfs/dbraw/zinc/40/22/88/1119402288.db2.gz NBTSMUCCBCCROV-DXBBTUNJSA-N 2 1 356.554 4.082 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467036 1119453229 /nfs/dbraw/zinc/45/32/29/1119453229.db2.gz SEVAQVUPWOIVPG-IBGZPJMESA-N 2 1 354.494 4.261 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467036 1119453230 /nfs/dbraw/zinc/45/32/30/1119453230.db2.gz SEVAQVUPWOIVPG-IBGZPJMESA-N 2 1 354.494 4.261 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467036 1119453233 /nfs/dbraw/zinc/45/32/33/1119453233.db2.gz SEVAQVUPWOIVPG-IBGZPJMESA-N 2 1 354.494 4.261 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467036 1119453235 /nfs/dbraw/zinc/45/32/35/1119453235.db2.gz SEVAQVUPWOIVPG-IBGZPJMESA-N 2 1 354.494 4.261 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@H]1c1cccs1 ZINC000493893773 1119506737 /nfs/dbraw/zinc/50/67/37/1119506737.db2.gz IZMIJFGNFSYOLM-OBMFMMATSA-N 2 1 370.562 4.468 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)[C@H]1c1cccs1 ZINC000493893773 1119506740 /nfs/dbraw/zinc/50/67/40/1119506740.db2.gz IZMIJFGNFSYOLM-OBMFMMATSA-N 2 1 370.562 4.468 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000493937431 1119512603 /nfs/dbraw/zinc/51/26/03/1119512603.db2.gz QEEIWLXYVOVBMU-GCJKJVERSA-N 2 1 350.506 4.195 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050726 1119530219 /nfs/dbraw/zinc/53/02/19/1119530219.db2.gz RMUAMOOMDAGPMU-WMZOPIPTSA-N 2 1 372.475 4.351 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050726 1119530224 /nfs/dbraw/zinc/53/02/24/1119530224.db2.gz RMUAMOOMDAGPMU-WMZOPIPTSA-N 2 1 372.475 4.351 20 0 FIADMP C[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000494151959 1119547562 /nfs/dbraw/zinc/54/75/62/1119547562.db2.gz GMHCBNWHACVXLB-ROUUACIJSA-N 2 1 364.624 4.341 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183196424 1119568468 /nfs/dbraw/zinc/56/84/68/1119568468.db2.gz NHPKBHIHABRBKT-BBTUJRGHSA-N 2 1 366.553 4.484 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000183197429 1119568496 /nfs/dbraw/zinc/56/84/96/1119568496.db2.gz PDHLEFUGGIWOCK-OKZBNKHCSA-N 2 1 360.542 4.316 20 0 FIADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000183187562 1119568517 /nfs/dbraw/zinc/56/85/17/1119568517.db2.gz DOUOGQBRRUXTQT-HQRMLTQVSA-N 2 1 358.526 4.152 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@H](C)C1 ZINC000187020588 1119761548 /nfs/dbraw/zinc/76/15/48/1119761548.db2.gz GHFACCINHKTJSK-XMSQKQJNSA-N 2 1 374.569 4.041 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)[C@H](C)C1 ZINC000187020588 1119761549 /nfs/dbraw/zinc/76/15/49/1119761549.db2.gz GHFACCINHKTJSK-XMSQKQJNSA-N 2 1 374.569 4.041 20 0 FIADMP Cc1nc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000494339730 1119828544 /nfs/dbraw/zinc/82/85/44/1119828544.db2.gz GPXUFWBVRLSVLB-UHFFFAOYSA-N 2 1 351.519 4.359 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261977 1119968494 /nfs/dbraw/zinc/96/84/94/1119968494.db2.gz VOBBYGCCYDGXGK-GHTZIAJQSA-N 2 1 368.569 4.162 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261977 1119968495 /nfs/dbraw/zinc/96/84/95/1119968495.db2.gz VOBBYGCCYDGXGK-GHTZIAJQSA-N 2 1 368.569 4.162 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000191460556 1119978170 /nfs/dbraw/zinc/97/81/70/1119978170.db2.gz MBYHUTSWQHLPDB-XMMPIXPASA-N 2 1 365.565 4.393 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCSc3ccc(OC)cc32)c1 ZINC000191510476 1119981187 /nfs/dbraw/zinc/98/11/87/1119981187.db2.gz WYVHJMZTPPAOGQ-HXUWFJFHSA-N 2 1 356.535 4.474 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374497 1119981645 /nfs/dbraw/zinc/98/16/45/1119981645.db2.gz XRAFDDDNGBPDSX-PZJWPPBQSA-N 2 1 360.505 4.045 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192167148 1120034452 /nfs/dbraw/zinc/03/44/52/1120034452.db2.gz ZEYBWVFZVJWJLQ-LLVKDONJSA-N 2 1 356.695 4.033 20 0 FIADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CCCCC2)n1 ZINC000192927368 1120090557 /nfs/dbraw/zinc/09/05/57/1120090557.db2.gz IWRCCWFGKDZMPX-HXUWFJFHSA-N 2 1 366.553 4.080 20 0 FIADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C2CCCCC2)n1 ZINC000192927368 1120090567 /nfs/dbraw/zinc/09/05/67/1120090567.db2.gz IWRCCWFGKDZMPX-HXUWFJFHSA-N 2 1 366.553 4.080 20 0 FIADMP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000192934806 1120091330 /nfs/dbraw/zinc/09/13/30/1120091330.db2.gz KOZVYPPTYQGFLC-QGZVFWFLSA-N 2 1 364.411 4.039 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000192978540 1120093233 /nfs/dbraw/zinc/09/32/33/1120093233.db2.gz JYJVPVPKPYGGIS-UHFFFAOYSA-N 2 1 363.480 4.171 20 0 FIADMP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)ccc1F ZINC000194740741 1120299784 /nfs/dbraw/zinc/29/97/84/1120299784.db2.gz BQSZNEIOZBQDOG-INIZCTEOSA-N 2 1 372.488 4.053 20 0 FIADMP Cc1noc(C2CCC([NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)CC2)n1 ZINC000494903935 1120367322 /nfs/dbraw/zinc/36/73/22/1120367322.db2.gz PMACXMRNTOCMND-UHFFFAOYSA-N 2 1 356.514 4.034 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000494926306 1120381961 /nfs/dbraw/zinc/38/19/61/1120381961.db2.gz XEMCPGJZTQZQHF-WEMPKCCASA-N 2 1 362.533 4.251 20 0 FIADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000648737733 1120417616 /nfs/dbraw/zinc/41/76/16/1120417616.db2.gz FPXQZFNRPRDDPX-ZWKOTPCHSA-N 2 1 368.525 4.410 20 0 FIADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000648737733 1120417623 /nfs/dbraw/zinc/41/76/23/1120417623.db2.gz FPXQZFNRPRDDPX-ZWKOTPCHSA-N 2 1 368.525 4.410 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000495002315 1120419778 /nfs/dbraw/zinc/41/97/78/1120419778.db2.gz XVBXEXAQWSTLBJ-BBWFWOEESA-N 2 1 354.498 4.130 20 0 FIADMP FC(F)(F)c1cc(Br)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000229506356 1120500072 /nfs/dbraw/zinc/50/00/72/1120500072.db2.gz WUGDZNPPGUFEOA-UHFFFAOYSA-N 2 1 365.237 4.043 20 0 FIADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000303020274 1120725684 /nfs/dbraw/zinc/72/56/84/1120725684.db2.gz QXJXJXHHMZBPKE-JOCHJYFZSA-N 2 1 365.521 4.132 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425506 1120801253 /nfs/dbraw/zinc/80/12/53/1120801253.db2.gz BYNZUPASDYSXIL-GHTZIAJQSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425506 1120801257 /nfs/dbraw/zinc/80/12/57/1120801257.db2.gz BYNZUPASDYSXIL-GHTZIAJQSA-N 2 1 367.537 4.259 20 0 FIADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000237399322 1120976981 /nfs/dbraw/zinc/97/69/81/1120976981.db2.gz RKFWCIKIYIUBOH-INIZCTEOSA-N 2 1 374.960 4.023 20 0 FIADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000237623132 1120980397 /nfs/dbraw/zinc/98/03/97/1120980397.db2.gz UPWDGXQFHPZYSP-KDURUIRLSA-N 2 1 352.522 4.202 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000542669119 1121165334 /nfs/dbraw/zinc/16/53/34/1121165334.db2.gz VLKDMMJRTSNOFP-NRFANRHFSA-N 2 1 354.542 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000542669119 1121165339 /nfs/dbraw/zinc/16/53/39/1121165339.db2.gz VLKDMMJRTSNOFP-NRFANRHFSA-N 2 1 354.542 4.426 20 0 FIADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCc1ccccc1 ZINC000062427197 1121540935 /nfs/dbraw/zinc/54/09/35/1121540935.db2.gz DZXKHAYRWGGXQZ-NRFANRHFSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000763416499 1121585628 /nfs/dbraw/zinc/58/56/28/1121585628.db2.gz VAKJSOMTXZFVEU-LFGUQSLTSA-N 2 1 358.551 4.060 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000763416499 1121585636 /nfs/dbraw/zinc/58/56/36/1121585636.db2.gz VAKJSOMTXZFVEU-LFGUQSLTSA-N 2 1 358.551 4.060 20 0 FIADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000064735695 1121630178 /nfs/dbraw/zinc/63/01/78/1121630178.db2.gz QZDJQWMJHMPTMW-JQVVWYNYSA-N 2 1 371.569 4.006 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000123933771 1121646341 /nfs/dbraw/zinc/64/63/41/1121646341.db2.gz FGBGARIWPOEPBS-KRWDZBQOSA-N 2 1 354.494 4.150 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000124655696 1121711715 /nfs/dbraw/zinc/71/17/15/1121711715.db2.gz HROINLYQUWYUSO-KSZLIROESA-N 2 1 356.510 4.302 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671750341 1121713535 /nfs/dbraw/zinc/71/35/35/1121713535.db2.gz QQCHHVZFVVHROB-ZIAGYGMSSA-N 2 1 362.433 4.439 20 0 FIADMP Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000671754083 1121754160 /nfs/dbraw/zinc/75/41/60/1121754160.db2.gz QLGLYCARKRWYNY-TZRRMPRUSA-N 2 1 363.549 4.213 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125183178 1121754190 /nfs/dbraw/zinc/75/41/90/1121754190.db2.gz YVNKMZIRSOTVBU-MOPGFXCFSA-N 2 1 354.542 4.281 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125183178 1121754195 /nfs/dbraw/zinc/75/41/95/1121754195.db2.gz YVNKMZIRSOTVBU-MOPGFXCFSA-N 2 1 354.542 4.281 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125183178 1121754199 /nfs/dbraw/zinc/75/41/99/1121754199.db2.gz YVNKMZIRSOTVBU-MOPGFXCFSA-N 2 1 354.542 4.281 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125730499 1121818120 /nfs/dbraw/zinc/81/81/20/1121818120.db2.gz YLZNBVBGADXAEW-OALUTQOASA-N 2 1 374.573 4.331 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000126032993 1121914402 /nfs/dbraw/zinc/91/44/02/1121914402.db2.gz UXHNPZDXTUVJBY-UHFFFAOYSA-N 2 1 369.484 4.040 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)cs1 ZINC000111397326 1121959330 /nfs/dbraw/zinc/95/93/30/1121959330.db2.gz BNECAEJVHNNJGJ-HNAYVOBHSA-N 2 1 373.566 4.424 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000066960581 1122115857 /nfs/dbraw/zinc/11/58/57/1122115857.db2.gz SDNCKNQZXBLIDG-IBGZPJMESA-N 2 1 359.558 4.074 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)[nH+]1 ZINC000497403685 1122211434 /nfs/dbraw/zinc/21/14/34/1122211434.db2.gz KLVZNGCHDFBRAT-UGKGYDQZSA-N 2 1 365.521 4.116 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000497409955 1122220663 /nfs/dbraw/zinc/22/06/63/1122220663.db2.gz BWUPZKQLKROGHO-HCUBDLJJSA-N 2 1 364.533 4.264 20 0 FIADMP C[C@@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000262640643 1122279148 /nfs/dbraw/zinc/27/91/48/1122279148.db2.gz KASOZLHTUOAVST-OALUTQOASA-N 2 1 371.569 4.415 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000069160345 1122557793 /nfs/dbraw/zinc/55/77/93/1122557793.db2.gz SPZPNAFJHDEXEQ-SFHVURJKSA-N 2 1 368.521 4.192 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000129471467 1122608778 /nfs/dbraw/zinc/60/87/78/1122608778.db2.gz WQCGBUBQRQRLEI-AYOQOUSVSA-N 2 1 370.459 4.118 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000129471467 1122608785 /nfs/dbraw/zinc/60/87/85/1122608785.db2.gz WQCGBUBQRQRLEI-AYOQOUSVSA-N 2 1 370.459 4.118 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556075628 1122639304 /nfs/dbraw/zinc/63/93/04/1122639304.db2.gz DCMAXIDPYWUDMO-WOJBJXKFSA-N 2 1 366.505 4.118 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000556075628 1122639307 /nfs/dbraw/zinc/63/93/07/1122639307.db2.gz DCMAXIDPYWUDMO-WOJBJXKFSA-N 2 1 366.505 4.118 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000556093697 1122648199 /nfs/dbraw/zinc/64/81/99/1122648199.db2.gz KLCLANQIJBUZTQ-PMACEKPBSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000556093697 1122648202 /nfs/dbraw/zinc/64/82/02/1122648202.db2.gz KLCLANQIJBUZTQ-PMACEKPBSA-N 2 1 373.338 4.417 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)C[C@H]1c1ccccc1 ZINC000556131844 1122678494 /nfs/dbraw/zinc/67/84/94/1122678494.db2.gz XPFRXZPGHLNBNT-VWPQPMDRSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)C[C@H]1c1ccccc1 ZINC000556131844 1122678496 /nfs/dbraw/zinc/67/84/96/1122678496.db2.gz XPFRXZPGHLNBNT-VWPQPMDRSA-N 2 1 369.940 4.344 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000129861535 1122705447 /nfs/dbraw/zinc/70/54/47/1122705447.db2.gz JPTAVLOIQIEBRQ-JOCHJYFZSA-N 2 1 354.542 4.426 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000556215809 1122741549 /nfs/dbraw/zinc/74/15/49/1122741549.db2.gz GJRYTNIVNIBXQM-ZWKOTPCHSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000556215809 1122741556 /nfs/dbraw/zinc/74/15/56/1122741556.db2.gz GJRYTNIVNIBXQM-ZWKOTPCHSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556238447 1122755729 /nfs/dbraw/zinc/75/57/29/1122755729.db2.gz KLZFARYDUYCHNY-WMZOPIPTSA-N 2 1 364.411 4.352 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556238447 1122755733 /nfs/dbraw/zinc/75/57/33/1122755733.db2.gz KLZFARYDUYCHNY-WMZOPIPTSA-N 2 1 364.411 4.352 20 0 FIADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230729 1122757004 /nfs/dbraw/zinc/75/70/04/1122757004.db2.gz ANFIPZXFMCDWRS-XPWALMASSA-N 2 1 370.581 4.474 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2c3ccccc3-c3ccccc32)C[C@H](C)O1 ZINC000498451297 1122801330 /nfs/dbraw/zinc/80/13/30/1122801330.db2.gz GDUCQBWXPIENCH-HDICACEKSA-N 2 1 350.506 4.235 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000556587040 1122988692 /nfs/dbraw/zinc/98/86/92/1122988692.db2.gz ZCPPCZOZOKSZML-RBUKOAKNSA-N 2 1 370.459 4.042 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000556605596 1122996934 /nfs/dbraw/zinc/99/69/34/1122996934.db2.gz BWMLIGVFGNHEPC-KRWDZBQOSA-N 2 1 366.347 4.148 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498950199 1123101453 /nfs/dbraw/zinc/10/14/53/1123101453.db2.gz HKVVVBIHEWVJHH-OAQYLSRUSA-N 2 1 360.517 4.241 20 0 FIADMP CCc1cnc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000556870757 1123151177 /nfs/dbraw/zinc/15/11/77/1123151177.db2.gz QJTUNUIMDYXZRT-UHFFFAOYSA-N 2 1 357.567 4.281 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000556886495 1123163342 /nfs/dbraw/zinc/16/33/42/1123163342.db2.gz KQDRZGKBRKSMGX-UHFFFAOYSA-N 2 1 350.506 4.250 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232943 1123341606 /nfs/dbraw/zinc/34/16/06/1123341606.db2.gz ZFUNUWZLYUSKAJ-AGOPTVSRSA-N 2 1 368.496 4.378 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CCC2 ZINC000133155722 1123436704 /nfs/dbraw/zinc/43/67/04/1123436704.db2.gz YKCSBYQPBAFIRN-IBGZPJMESA-N 2 1 367.459 4.474 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000515678201 1123443792 /nfs/dbraw/zinc/44/37/92/1123443792.db2.gz ROSWRZYHGJSYSX-GOTSBHOMSA-N 2 1 352.522 4.409 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000515678201 1123443795 /nfs/dbraw/zinc/44/37/95/1123443795.db2.gz ROSWRZYHGJSYSX-GOTSBHOMSA-N 2 1 352.522 4.409 20 0 FIADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000077417549 1123676280 /nfs/dbraw/zinc/67/62/80/1123676280.db2.gz JSCCPPKAQUONQR-IBGZPJMESA-N 2 1 374.960 4.023 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000077417549 1123676287 /nfs/dbraw/zinc/67/62/87/1123676287.db2.gz JSCCPPKAQUONQR-IBGZPJMESA-N 2 1 374.960 4.023 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000080517166 1123968136 /nfs/dbraw/zinc/96/81/36/1123968136.db2.gz NKHABXGKLVDKDU-NSHDSACASA-N 2 1 356.695 4.033 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000245463964 1124042092 /nfs/dbraw/zinc/04/20/92/1124042092.db2.gz PCBORRLRTYOSJR-ZWOKBUDYSA-N 2 1 350.572 4.196 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000245626877 1124150010 /nfs/dbraw/zinc/15/00/10/1124150010.db2.gz QWTUVXYWFGIVOB-CIQXWFTPSA-N 2 1 354.538 4.149 20 0 FIADMP COCc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245657215 1124170203 /nfs/dbraw/zinc/17/02/03/1124170203.db2.gz DUTKYMSQUCPYPY-NUNAXRQHSA-N 2 1 350.506 4.118 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2[C@@H]4Cc5ccccc5[C@H]24)C3)cc1 ZINC000245661222 1124177345 /nfs/dbraw/zinc/17/73/45/1124177345.db2.gz FTYJDMQEVJSUHT-VOIBFUHESA-N 2 1 358.529 4.358 20 0 FIADMP COc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245696483 1124205270 /nfs/dbraw/zinc/20/52/70/1124205270.db2.gz LCEOMNXUZIISCA-DKUWSORSSA-N 2 1 350.506 4.023 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCNc2ccccn2)C3)cc1 ZINC000245744320 1124233543 /nfs/dbraw/zinc/23/35/43/1124233543.db2.gz SFFQCQOYPDZIFA-DKUWSORSSA-N 3 1 364.537 4.059 20 0 FIADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCCNc2ccccn2)C3)cc1 ZINC000245744320 1124233549 /nfs/dbraw/zinc/23/35/49/1124233549.db2.gz SFFQCQOYPDZIFA-DKUWSORSSA-N 3 1 364.537 4.059 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759111 1124243464 /nfs/dbraw/zinc/24/34/64/1124243464.db2.gz PIOWPXBIPWSJRH-UGKGYDQZSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759111 1124243471 /nfs/dbraw/zinc/24/34/71/1124243471.db2.gz PIOWPXBIPWSJRH-UGKGYDQZSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759111 1124243478 /nfs/dbraw/zinc/24/34/78/1124243478.db2.gz PIOWPXBIPWSJRH-UGKGYDQZSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759111 1124243482 /nfs/dbraw/zinc/24/34/82/1124243482.db2.gz PIOWPXBIPWSJRH-UGKGYDQZSA-N 2 1 367.537 4.192 20 0 FIADMP COCc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1F ZINC000245769868 1124246065 /nfs/dbraw/zinc/24/60/65/1124246065.db2.gz XABLBCUBMJHQEH-KOUNCHBCSA-N 2 1 368.496 4.257 20 0 FIADMP c1cnn(-c2ccccc2C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245778129 1124248123 /nfs/dbraw/zinc/24/81/23/1124248123.db2.gz YJZCHDJWLHXEFN-WBDAEOGXSA-N 2 1 372.516 4.158 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)cc1 ZINC000765877747 1124308801 /nfs/dbraw/zinc/30/88/01/1124308801.db2.gz GDYLXNNPFVQLAC-HXOBKFHXSA-N 2 1 361.489 4.055 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000518575427 1124370473 /nfs/dbraw/zinc/37/04/73/1124370473.db2.gz WCZLWLYQOHCVPH-XZOQPEGZSA-N 2 1 352.522 4.061 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000518575427 1124370480 /nfs/dbraw/zinc/37/04/80/1124370480.db2.gz WCZLWLYQOHCVPH-XZOQPEGZSA-N 2 1 352.522 4.061 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000542840221 1124435496 /nfs/dbraw/zinc/43/54/96/1124435496.db2.gz SOKZINXZRHTIGP-JOCHJYFZSA-N 2 1 352.522 4.082 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000542840221 1124435498 /nfs/dbraw/zinc/43/54/98/1124435498.db2.gz SOKZINXZRHTIGP-JOCHJYFZSA-N 2 1 352.522 4.082 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000246640316 1124544869 /nfs/dbraw/zinc/54/48/69/1124544869.db2.gz XAEMHGDTPWASBH-FGTMMUONSA-N 2 1 356.485 4.286 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000246809899 1124562467 /nfs/dbraw/zinc/56/24/67/1124562467.db2.gz AOFTYYZYLNDLAT-VQTJNVASSA-N 2 1 354.542 4.237 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864232 1124568959 /nfs/dbraw/zinc/56/89/59/1124568959.db2.gz WCHZXPBGUBKKAC-FXAWDEMLSA-N 2 1 370.928 4.022 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864232 1124568966 /nfs/dbraw/zinc/56/89/66/1124568966.db2.gz WCHZXPBGUBKKAC-FXAWDEMLSA-N 2 1 370.928 4.022 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864232 1124568968 /nfs/dbraw/zinc/56/89/68/1124568968.db2.gz WCHZXPBGUBKKAC-FXAWDEMLSA-N 2 1 370.928 4.022 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246864232 1124568977 /nfs/dbraw/zinc/56/89/77/1124568977.db2.gz WCHZXPBGUBKKAC-FXAWDEMLSA-N 2 1 370.928 4.022 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)cc1 ZINC000246948436 1124575600 /nfs/dbraw/zinc/57/56/00/1124575600.db2.gz HGWMJJPMOPNKDP-NPPFBWRTSA-N 2 1 363.505 4.386 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000247121505 1124592453 /nfs/dbraw/zinc/59/24/53/1124592453.db2.gz RFAGFRICBHSZHU-JTSKRJEESA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1 ZINC000247121505 1124592459 /nfs/dbraw/zinc/59/24/59/1124592459.db2.gz RFAGFRICBHSZHU-JTSKRJEESA-N 2 1 356.485 4.287 20 0 FIADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247174180 1124596750 /nfs/dbraw/zinc/59/67/50/1124596750.db2.gz UTWLIKHPOMFSFM-JKSUJKDBSA-N 2 1 373.566 4.085 20 0 FIADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247174180 1124596758 /nfs/dbraw/zinc/59/67/58/1124596758.db2.gz UTWLIKHPOMFSFM-JKSUJKDBSA-N 2 1 373.566 4.085 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)[C@H](C)C1 ZINC000247205489 1124598892 /nfs/dbraw/zinc/59/88/92/1124598892.db2.gz WQYDDIMIJWYYKE-MNEFBYGVSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)[C@H](C)C1 ZINC000247205489 1124598897 /nfs/dbraw/zinc/59/88/97/1124598897.db2.gz WQYDDIMIJWYYKE-MNEFBYGVSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cc(F)ccc2F)[C@H](C)C1 ZINC000247923560 1124731500 /nfs/dbraw/zinc/73/15/00/1124731500.db2.gz BKZJOCHTPBGYPD-YSGRDPCXSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cc(F)ccc2F)[C@H](C)C1 ZINC000247923560 1124731507 /nfs/dbraw/zinc/73/15/07/1124731507.db2.gz BKZJOCHTPBGYPD-YSGRDPCXSA-N 2 1 354.485 4.143 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011296 1124736868 /nfs/dbraw/zinc/73/68/68/1124736868.db2.gz LHQFAXHEKUZTHB-PBHICJAKSA-N 2 1 359.514 4.258 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011296 1124736871 /nfs/dbraw/zinc/73/68/71/1124736871.db2.gz LHQFAXHEKUZTHB-PBHICJAKSA-N 2 1 359.514 4.258 20 0 FIADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000248071246 1124741336 /nfs/dbraw/zinc/74/13/36/1124741336.db2.gz MOMKKABMBAPTSE-QAPCUYQASA-N 2 1 371.550 4.128 20 0 FIADMP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000248071246 1124741340 /nfs/dbraw/zinc/74/13/40/1124741340.db2.gz MOMKKABMBAPTSE-QAPCUYQASA-N 2 1 371.550 4.128 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000248441657 1124769172 /nfs/dbraw/zinc/76/91/72/1124769172.db2.gz KHKOEJBYPOFFJR-IAGOWNOFSA-N 2 1 364.942 4.209 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1Cl ZINC000248443517 1124769530 /nfs/dbraw/zinc/76/95/30/1124769530.db2.gz LLDYYKSQSGDVTQ-LPHOPBHVSA-N 2 1 358.913 4.148 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248439346 1124769851 /nfs/dbraw/zinc/76/98/51/1124769851.db2.gz INDRUXXDXQPIQO-RTWAWAEBSA-N 2 1 358.913 4.148 20 0 FIADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001168683860 1124801502 /nfs/dbraw/zinc/80/15/02/1124801502.db2.gz APMNAHDMRXGOHS-KLJZETAQSA-N 2 1 366.936 4.307 20 0 FIADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000249255960 1124852502 /nfs/dbraw/zinc/85/25/02/1124852502.db2.gz GNCKJSMCLYBNJU-QRVBRYPASA-N 2 1 354.460 4.262 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cn1 ZINC000249345599 1124854711 /nfs/dbraw/zinc/85/47/11/1124854711.db2.gz FCAGPLURENDKIL-LJQANCHMSA-N 2 1 366.553 4.202 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000182060785 1125227838 /nfs/dbraw/zinc/22/78/38/1125227838.db2.gz RFJPAUHIKYANFI-NWLLBJEDSA-N 2 1 369.553 4.371 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318255 1125299123 /nfs/dbraw/zinc/29/91/23/1125299123.db2.gz UHRVSDNWKJGEDG-MBSDFSHPSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318255 1125299131 /nfs/dbraw/zinc/29/91/31/1125299131.db2.gz UHRVSDNWKJGEDG-MBSDFSHPSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318255 1125299138 /nfs/dbraw/zinc/29/91/38/1125299138.db2.gz UHRVSDNWKJGEDG-MBSDFSHPSA-N 2 1 365.521 4.130 20 0 FIADMP CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000093318255 1125299143 /nfs/dbraw/zinc/29/91/43/1125299143.db2.gz UHRVSDNWKJGEDG-MBSDFSHPSA-N 2 1 365.521 4.130 20 0 FIADMP CC(C)n1cc([C@@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000563119878 568224642 /nfs/dbraw/zinc/22/46/42/568224642.db2.gz LGSZXLZLMPKUCJ-NQIIRXRSSA-N 2 1 352.526 4.312 20 0 FIADMP CSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000563120106 568224905 /nfs/dbraw/zinc/22/49/05/568224905.db2.gz RNYYBVOVAYVWJJ-IBGZPJMESA-N 2 1 353.535 4.090 20 0 FIADMP CSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccn1 ZINC000563120106 568224906 /nfs/dbraw/zinc/22/49/06/568224906.db2.gz RNYYBVOVAYVWJJ-IBGZPJMESA-N 2 1 353.535 4.090 20 0 FIADMP Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1Oc1ccncc1 ZINC000604219460 568230318 /nfs/dbraw/zinc/23/03/18/568230318.db2.gz ICVDYIMJNVATAC-MSOLQXFVSA-N 2 1 367.493 4.175 20 0 FIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC23CC[NH2+]CC3)nc1 ZINC001164420528 718911764 /nfs/dbraw/zinc/91/17/64/718911764.db2.gz KIURIBUXVCKFDU-HXUWFJFHSA-N 2 1 356.558 4.131 20 0 FIADMP Cc1cc2ccccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164859062 720979902 /nfs/dbraw/zinc/97/99/02/720979902.db2.gz KUUUAMNFAQVSKC-KRWDZBQOSA-N 2 1 363.509 4.161 20 0 FIADMP Cc1cc2ccccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164859062 720979906 /nfs/dbraw/zinc/97/99/06/720979906.db2.gz KUUUAMNFAQVSKC-KRWDZBQOSA-N 2 1 363.509 4.161 20 0 FIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@H]21 ZINC001165025183 721815563 /nfs/dbraw/zinc/81/55/63/721815563.db2.gz LTEWXJZKSUUABJ-KSEOMHKRSA-N 2 1 362.521 4.091 20 0 FIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@H]21 ZINC001165025183 721815564 /nfs/dbraw/zinc/81/55/64/721815564.db2.gz LTEWXJZKSUUABJ-KSEOMHKRSA-N 2 1 362.521 4.091 20 0 FIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC001165033363 721861996 /nfs/dbraw/zinc/86/19/96/721861996.db2.gz LBHSWMKRMCXELE-NRFANRHFSA-N 2 1 356.558 4.083 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000765972604 1125517301 /nfs/dbraw/zinc/51/73/01/1125517301.db2.gz BJFSQSNEBIWUAN-FZKQIMNGSA-N 2 1 357.325 4.287 20 0 FIADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCCCC2)cc1 ZINC000765972542 1125519438 /nfs/dbraw/zinc/51/94/38/1125519438.db2.gz ALZTYGHSGLLMND-RPWUZVMVSA-N 2 1 370.581 4.411 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2c(C)noc2C)cc1C[NH+]1CCCCC1 ZINC000182605081 1125584916 /nfs/dbraw/zinc/58/49/16/1125584916.db2.gz URNJSXWXQKTSHH-OAHLLOKOSA-N 2 1 357.498 4.137 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000619772564 1125701035 /nfs/dbraw/zinc/70/10/35/1125701035.db2.gz OVMCUPUJBLFYRS-HXUWFJFHSA-N 2 1 374.532 4.361 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1Br ZINC000262356728 1125721286 /nfs/dbraw/zinc/72/12/86/1125721286.db2.gz VWGBZRBBQDORFU-YMRXKLBXSA-N 2 1 361.283 4.253 20 0 FIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000183165774 1125767524 /nfs/dbraw/zinc/76/75/24/1125767524.db2.gz GHZVLOPIECHRPZ-GOSISDBHSA-N 3 1 361.574 4.060 20 0 FIADMP CC[N@@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC001167063836 1079898017 /nfs/dbraw/zinc/89/80/17/1079898017.db2.gz VBPGXGIKWPGCJQ-LADGPHEKSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC001167063836 1079898026 /nfs/dbraw/zinc/89/80/26/1079898026.db2.gz VBPGXGIKWPGCJQ-LADGPHEKSA-N 2 1 366.549 4.261 20 0 FIADMP CC[NH+](C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC001167063836 1079898035 /nfs/dbraw/zinc/89/80/35/1079898035.db2.gz VBPGXGIKWPGCJQ-LADGPHEKSA-N 2 1 366.549 4.261 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001625795724 1079911365 /nfs/dbraw/zinc/91/13/65/1079911365.db2.gz BBEBEFSKODCHGY-PMACEKPBSA-N 2 1 373.585 4.016 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCc3nc4ccccc4[nH]3)CC23CC3)cc1 ZINC000579831831 1080030166 /nfs/dbraw/zinc/03/01/66/1080030166.db2.gz PTQWTBBXFGXBJJ-HXUWFJFHSA-N 2 1 374.532 4.282 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCc3nc4ccccc4[nH]3)CC23CC3)cc1 ZINC000579831831 1080030180 /nfs/dbraw/zinc/03/01/80/1080030180.db2.gz PTQWTBBXFGXBJJ-HXUWFJFHSA-N 2 1 374.532 4.282 20 0 FIADMP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533409046 1080124283 /nfs/dbraw/zinc/12/42/83/1080124283.db2.gz QDAAOPGQCWBZTH-MRXNPFEDSA-N 2 1 365.949 4.028 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274808428 1080162010 /nfs/dbraw/zinc/16/20/10/1080162010.db2.gz XGECVZSNQFFGFO-ZMUKGBGYSA-N 2 1 364.533 4.407 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000683357859 1080728852 /nfs/dbraw/zinc/72/88/52/1080728852.db2.gz HBHACGOUHAAFPN-NRFANRHFSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000683357859 1080728857 /nfs/dbraw/zinc/72/88/57/1080728857.db2.gz HBHACGOUHAAFPN-NRFANRHFSA-N 2 1 356.485 4.321 20 0 FIADMP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000579898017 1080846985 /nfs/dbraw/zinc/84/69/85/1080846985.db2.gz VSXIMYIYARUOAM-DKUWSORSSA-N 2 1 356.554 4.369 20 0 FIADMP c1cc(OC2CCCCC2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655710054 1081129178 /nfs/dbraw/zinc/12/91/78/1081129178.db2.gz AFDCYRXJOBCSSF-HSZRJFAPSA-N 2 1 372.553 4.131 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000655719949 1081133283 /nfs/dbraw/zinc/13/32/83/1081133283.db2.gz XSXVFXLYSCYSCE-WZONZLPQSA-N 2 1 365.521 4.043 20 0 FIADMP Cc1cccc(-c2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)c1 ZINC000655707831 1081133306 /nfs/dbraw/zinc/13/33/06/1081133306.db2.gz DXDXVPZQVDUJFL-QHCPKHFHSA-N 2 1 350.506 4.005 20 0 FIADMP Cc1ccc(-c2ncc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)s2)cc1C ZINC000655766252 1081182634 /nfs/dbraw/zinc/18/26/34/1081182634.db2.gz OJBXJPVUBNWQJS-SFHVURJKSA-N 2 1 373.566 4.017 20 0 FIADMP Cc1ccc(-c2ncc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)s2)cc1C ZINC000655766252 1081182636 /nfs/dbraw/zinc/18/26/36/1081182636.db2.gz OJBXJPVUBNWQJS-SFHVURJKSA-N 2 1 373.566 4.017 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001648816714 1081237376 /nfs/dbraw/zinc/23/73/76/1081237376.db2.gz FOMULYBCBFPCOJ-OAHLLOKOSA-N 2 1 353.348 4.359 20 0 FIADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000655850517 1081258849 /nfs/dbraw/zinc/25/88/49/1081258849.db2.gz KBGOLUFVZYXTJR-KPFFTGBYSA-N 2 1 358.526 4.152 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001648826825 1081262912 /nfs/dbraw/zinc/26/29/12/1081262912.db2.gz QLNBDOCPDKQZOA-UHFFFAOYSA-N 3 1 357.586 4.415 20 0 FIADMP CCOC(=O)c1cnc2ccc(C)cc2c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000525460360 1081276048 /nfs/dbraw/zinc/27/60/48/1081276048.db2.gz XBAGPDRRXYHSLO-UHFFFAOYSA-N 2 1 369.509 4.031 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccc4cnccc4c3)C2)c1 ZINC000683767780 1081524225 /nfs/dbraw/zinc/52/42/25/1081524225.db2.gz RCVINEYCAUCNRB-GOSISDBHSA-N 2 1 351.519 4.298 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccc4cnccc4c3)C2)c1 ZINC000683767780 1081524228 /nfs/dbraw/zinc/52/42/28/1081524228.db2.gz RCVINEYCAUCNRB-GOSISDBHSA-N 2 1 351.519 4.298 20 0 FIADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125126897 1081904875 /nfs/dbraw/zinc/90/48/75/1081904875.db2.gz QMFBZQPEWKLCFQ-AUSIDOKSSA-N 2 1 352.522 4.059 20 0 FIADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000312947839 1082074009 /nfs/dbraw/zinc/07/40/09/1082074009.db2.gz QZMBDGYXPOJGPR-FQEVSTJZSA-N 2 1 366.553 4.166 20 0 FIADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000312947839 1082074015 /nfs/dbraw/zinc/07/40/15/1082074015.db2.gz QZMBDGYXPOJGPR-FQEVSTJZSA-N 2 1 366.553 4.166 20 0 FIADMP CC1(C)Cc2cccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c2O1 ZINC000684026772 1082084434 /nfs/dbraw/zinc/08/44/34/1082084434.db2.gz LVWWQPQCQCXNSS-UHFFFAOYSA-N 2 1 365.521 4.313 20 0 FIADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCC(C)C ZINC000580740886 1082115058 /nfs/dbraw/zinc/11/50/58/1082115058.db2.gz ZTSGUDDVECEITH-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCC(C)C ZINC000580740886 1082115063 /nfs/dbraw/zinc/11/50/63/1082115063.db2.gz ZTSGUDDVECEITH-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCC(C)C ZINC000580740886 1082115065 /nfs/dbraw/zinc/11/50/65/1082115065.db2.gz ZTSGUDDVECEITH-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCC(C)C ZINC000580740886 1082115070 /nfs/dbraw/zinc/11/50/70/1082115070.db2.gz ZTSGUDDVECEITH-YOFSQIOKSA-N 2 1 360.542 4.177 20 0 FIADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909618 1082218507 /nfs/dbraw/zinc/21/85/07/1082218507.db2.gz ASSGVENGGZELMO-UGKGYDQZSA-N 2 1 355.570 4.209 20 0 FIADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909618 1082218513 /nfs/dbraw/zinc/21/85/13/1082218513.db2.gz ASSGVENGGZELMO-UGKGYDQZSA-N 2 1 355.570 4.209 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313064536 1082345729 /nfs/dbraw/zinc/34/57/29/1082345729.db2.gz UOJLGIQPCOUFGH-HBFSDRIKSA-N 2 1 362.521 4.135 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313064536 1082345736 /nfs/dbraw/zinc/34/57/36/1082345736.db2.gz UOJLGIQPCOUFGH-HBFSDRIKSA-N 2 1 362.521 4.135 20 0 FIADMP COc1cncc(/C=C/CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000581307757 1082447335 /nfs/dbraw/zinc/44/73/35/1082447335.db2.gz CYXQOWCRWBICLU-YXMMZVCTSA-N 2 1 362.477 4.338 20 0 FIADMP Cc1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc(C)c1OCC(F)(F)F ZINC000581556218 1082661187 /nfs/dbraw/zinc/66/11/87/1082661187.db2.gz XJXXCERHAGIBNM-UHFFFAOYSA-N 2 1 369.431 4.043 20 0 FIADMP Cc1cc(C[N@H+](C)CCCc2c[nH+]cn2C)cc(C)c1OCC(F)(F)F ZINC000581556218 1082661191 /nfs/dbraw/zinc/66/11/91/1082661191.db2.gz XJXXCERHAGIBNM-UHFFFAOYSA-N 2 1 369.431 4.043 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130204093 1082892967 /nfs/dbraw/zinc/89/29/67/1082892967.db2.gz FERUVFHBSBQSKK-INIZCTEOSA-N 2 1 373.566 4.203 20 0 FIADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]CCSCc3ccccc3)C2)cc1 ZINC000430760096 1083153949 /nfs/dbraw/zinc/15/39/49/1083153949.db2.gz QPERIILUCLTANP-QFIPXVFZSA-N 2 1 354.563 4.074 20 0 FIADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430913548 1083234723 /nfs/dbraw/zinc/23/47/23/1083234723.db2.gz WCSREKPRKQAPGQ-SFHVURJKSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@@H](c1cccc(F)c1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913548 1083234724 /nfs/dbraw/zinc/23/47/24/1083234724.db2.gz WCSREKPRKQAPGQ-SFHVURJKSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913548 1083234729 /nfs/dbraw/zinc/23/47/29/1083234729.db2.gz WCSREKPRKQAPGQ-SFHVURJKSA-N 3 1 361.549 4.015 20 0 FIADMP Cc1cccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cccc(F)c2)c1 ZINC000510716015 1083259247 /nfs/dbraw/zinc/25/92/47/1083259247.db2.gz OFPIXZMNUYPZSK-DHIUTWEWSA-N 2 1 370.512 4.050 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1SC ZINC000090586542 1083304289 /nfs/dbraw/zinc/30/42/89/1083304289.db2.gz TXCKMGQWZMOVDN-DLBZAZTESA-N 2 1 350.572 4.436 20 0 FIADMP CC(C)C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000684557046 1083345167 /nfs/dbraw/zinc/34/51/67/1083345167.db2.gz NRGMSAJGGIEXGN-QGZVFWFLSA-N 2 1 350.304 4.102 20 0 FIADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1ccccc1 ZINC000092253833 1083366790 /nfs/dbraw/zinc/36/67/90/1083366790.db2.gz ZEIRWKSBYAJOSG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1ccccc1 ZINC000092253833 1083366800 /nfs/dbraw/zinc/36/68/00/1083366800.db2.gz ZEIRWKSBYAJOSG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000092253833 1083366811 /nfs/dbraw/zinc/36/68/11/1083366811.db2.gz ZEIRWKSBYAJOSG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000092253833 1083366819 /nfs/dbraw/zinc/36/68/19/1083366819.db2.gz ZEIRWKSBYAJOSG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCc1ccccc1 ZINC000092253309 1083367946 /nfs/dbraw/zinc/36/79/46/1083367946.db2.gz KOWRRIBUXOFNTG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCc1ccccc1 ZINC000092253309 1083367958 /nfs/dbraw/zinc/36/79/58/1083367958.db2.gz KOWRRIBUXOFNTG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCc1ccccc1 ZINC000092253309 1083367969 /nfs/dbraw/zinc/36/79/69/1083367969.db2.gz KOWRRIBUXOFNTG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000092253309 1083367982 /nfs/dbraw/zinc/36/79/82/1083367982.db2.gz KOWRRIBUXOFNTG-NRFANRHFSA-N 2 1 368.521 4.048 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320034 1083406019 /nfs/dbraw/zinc/40/60/19/1083406019.db2.gz MLVHMHZJKSZXEB-IEBWSBKVSA-N 2 1 353.485 4.174 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cn1 ZINC000658320034 1083406025 /nfs/dbraw/zinc/40/60/25/1083406025.db2.gz MLVHMHZJKSZXEB-IEBWSBKVSA-N 2 1 353.485 4.174 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000658319514 1083406122 /nfs/dbraw/zinc/40/61/22/1083406122.db2.gz DSRAMHYCPDJCHQ-APWZRJJASA-N 2 1 355.551 4.404 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320443 1083408555 /nfs/dbraw/zinc/40/85/55/1083408555.db2.gz YDENUTMZUMBHEX-WIYYLYMNSA-N 2 1 350.506 4.345 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000510961597 1083539955 /nfs/dbraw/zinc/53/99/55/1083539955.db2.gz MQONKKMKLLIIPZ-OAHLLOKOSA-N 2 1 354.281 4.392 20 0 FIADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000510961559 1083540429 /nfs/dbraw/zinc/54/04/29/1083540429.db2.gz MMOMJZFAULKSAJ-DLBZAZTESA-N 2 1 372.475 4.117 20 0 FIADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000510961559 1083540441 /nfs/dbraw/zinc/54/04/41/1083540441.db2.gz MMOMJZFAULKSAJ-DLBZAZTESA-N 2 1 372.475 4.117 20 0 FIADMP Cc1cn2c(n1)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000375842751 1083676363 /nfs/dbraw/zinc/67/63/63/1083676363.db2.gz WQRBQUGVPHZGEW-HWELCPFYSA-N 2 1 366.553 4.102 20 0 FIADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000535806066 1083691154 /nfs/dbraw/zinc/69/11/54/1083691154.db2.gz CFXDUBRQECAMSL-TZIWHRDSSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806066 1083691183 /nfs/dbraw/zinc/69/11/83/1083691183.db2.gz CFXDUBRQECAMSL-TZIWHRDSSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806066 1083691187 /nfs/dbraw/zinc/69/11/87/1083691187.db2.gz CFXDUBRQECAMSL-TZIWHRDSSA-N 2 1 351.494 4.098 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236829063 1083992232 /nfs/dbraw/zinc/99/22/32/1083992232.db2.gz KGIWFIINURLBBM-PKOBYXMFSA-N 2 1 368.525 4.019 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1NC(C)=O ZINC000157544603 1084399335 /nfs/dbraw/zinc/39/93/35/1084399335.db2.gz AVMZZFKDOJKPHW-INIZCTEOSA-N 2 1 373.541 4.101 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414071506 1084438684 /nfs/dbraw/zinc/43/86/84/1084438684.db2.gz LYAFAGDIHLJKIL-SFHVURJKSA-N 2 1 366.553 4.445 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414071506 1084438686 /nfs/dbraw/zinc/43/86/86/1084438686.db2.gz LYAFAGDIHLJKIL-SFHVURJKSA-N 2 1 366.553 4.445 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000157892751 1084576457 /nfs/dbraw/zinc/57/64/57/1084576457.db2.gz ZQQLGNKAAFSLQA-MVBMGLOESA-N 2 1 369.553 4.063 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414129969 1084647969 /nfs/dbraw/zinc/64/79/69/1084647969.db2.gz VQKIMRWPMDCVJX-PKOBYXMFSA-N 2 1 350.934 4.067 20 0 FIADMP CC(C)c1[nH+]c(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c2ccccn21 ZINC000563257065 1084683549 /nfs/dbraw/zinc/68/35/49/1084683549.db2.gz GYHYKKZSHHZUMT-QZTJIDSGSA-N 2 1 354.542 4.200 20 0 FIADMP CC(C)c1[nH+]c(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c2ccccn21 ZINC000563257065 1084683554 /nfs/dbraw/zinc/68/35/54/1084683554.db2.gz GYHYKKZSHHZUMT-QZTJIDSGSA-N 2 1 354.542 4.200 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000548712097 1084791992 /nfs/dbraw/zinc/79/19/92/1084791992.db2.gz SJZUKOCZNGLQHV-CEMLEFRQSA-N 2 1 369.578 4.274 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(C3CCC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415907 1084953097 /nfs/dbraw/zinc/95/30/97/1084953097.db2.gz OVQYVYXLJVCZOL-UYAOXDASSA-N 2 1 366.553 4.078 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC001167571939 1084966875 /nfs/dbraw/zinc/96/68/75/1084966875.db2.gz DYDLMIHZTVAETL-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC001167571939 1084966880 /nfs/dbraw/zinc/96/68/80/1084966880.db2.gz DYDLMIHZTVAETL-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571939 1084966882 /nfs/dbraw/zinc/96/68/82/1084966882.db2.gz DYDLMIHZTVAETL-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571939 1084966887 /nfs/dbraw/zinc/96/68/87/1084966887.db2.gz DYDLMIHZTVAETL-CEMLEFRQSA-N 2 1 356.554 4.463 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000684928075 1085195623 /nfs/dbraw/zinc/19/56/23/1085195623.db2.gz YQVCYVVFHVGJSS-KAOXLYBCSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000537938742 1085390812 /nfs/dbraw/zinc/39/08/12/1085390812.db2.gz MZYJDMGAGGUOQL-JLHGSKIFSA-N 2 1 356.485 4.223 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000564687509 1085435495 /nfs/dbraw/zinc/43/54/95/1085435495.db2.gz UWSYIJZNULBGBE-UHFFFAOYSA-N 2 1 365.525 4.067 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000564687509 1085435498 /nfs/dbraw/zinc/43/54/98/1085435498.db2.gz UWSYIJZNULBGBE-UHFFFAOYSA-N 2 1 365.525 4.067 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000651758840 1085455379 /nfs/dbraw/zinc/45/53/79/1085455379.db2.gz PMUFHOYCQNOUIF-QUCCMNQESA-N 2 1 366.553 4.232 20 0 FIADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000651758840 1085455384 /nfs/dbraw/zinc/45/53/84/1085455384.db2.gz PMUFHOYCQNOUIF-QUCCMNQESA-N 2 1 366.553 4.232 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000661428818 1085567687 /nfs/dbraw/zinc/56/76/87/1085567687.db2.gz UJCAAXQEPKYBPN-HXUWFJFHSA-N 2 1 361.917 4.007 20 0 FIADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806917 1085594276 /nfs/dbraw/zinc/59/42/76/1085594276.db2.gz YVMIQNCMAITBPW-HXUWFJFHSA-N 2 1 371.569 4.218 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000657590116 1085644232 /nfs/dbraw/zinc/64/42/32/1085644232.db2.gz PJTVHLAVLMVVQT-SIKLNZKXSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000657590116 1085644235 /nfs/dbraw/zinc/64/42/35/1085644235.db2.gz PJTVHLAVLMVVQT-SIKLNZKXSA-N 2 1 359.517 4.420 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2cccnc2)C2CCCCC2)C[C@H](C)O1 ZINC000652166532 1085733491 /nfs/dbraw/zinc/73/34/91/1085733491.db2.gz VHTBRZOWHUVUGX-JQVVWYNYSA-N 2 1 359.558 4.182 20 0 FIADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)C1CCCCC1 ZINC000652238049 1085764122 /nfs/dbraw/zinc/76/41/22/1085764122.db2.gz QNAFKWOYJKQRCX-SFHVURJKSA-N 2 1 359.558 4.084 20 0 FIADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)C1CCCCC1 ZINC000652238049 1085764131 /nfs/dbraw/zinc/76/41/31/1085764131.db2.gz QNAFKWOYJKQRCX-SFHVURJKSA-N 2 1 359.558 4.084 20 0 FIADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000164479971 1085764960 /nfs/dbraw/zinc/76/49/60/1085764960.db2.gz GHOCCWXMWCGQTC-OAHLLOKOSA-N 2 1 358.555 4.429 20 0 FIADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000582853301 1085829856 /nfs/dbraw/zinc/82/98/56/1085829856.db2.gz AKKXMEOXTQXPDX-UHFFFAOYSA-N 2 1 374.941 4.495 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)C1 ZINC000652348451 1085927584 /nfs/dbraw/zinc/92/75/84/1085927584.db2.gz FESKZTPOJRTARD-LZLYRXPVSA-N 2 1 368.974 4.041 20 0 FIADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000662295537 1086401028 /nfs/dbraw/zinc/40/10/28/1086401028.db2.gz UUTARTJBJBKJLD-SFHVURJKSA-N 2 1 371.550 4.030 20 0 FIADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)cc1 ZINC000662311954 1086406816 /nfs/dbraw/zinc/40/68/16/1086406816.db2.gz DRETXBVRIBAUEY-DNVCBOLYSA-N 2 1 359.539 4.158 20 0 FIADMP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327711 1086418621 /nfs/dbraw/zinc/41/86/21/1086418621.db2.gz LJKINXUYFMWJAO-AWEZNQCLSA-N 2 1 374.479 4.096 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216744 1086421038 /nfs/dbraw/zinc/42/10/38/1086421038.db2.gz DEYNLNZMJRFERH-LSUHJGNXSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216744 1086421040 /nfs/dbraw/zinc/42/10/40/1086421040.db2.gz DEYNLNZMJRFERH-LSUHJGNXSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Br)cs1 ZINC000663465830 1086565861 /nfs/dbraw/zinc/56/58/61/1086565861.db2.gz LRVLCSPCXWZJRZ-GXTWGEPZSA-N 2 1 357.361 4.283 20 0 FIADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)CC3 ZINC000663468538 1086571545 /nfs/dbraw/zinc/57/15/45/1086571545.db2.gz LWCVRGLJVHKDQW-RBUKOAKNSA-N 2 1 351.538 4.045 20 0 FIADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469980 1086575912 /nfs/dbraw/zinc/57/59/12/1086575912.db2.gz SHCQPUDPUWJRFY-QUCCMNQESA-N 2 1 371.569 4.239 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2C[C@H](c3nc(C)cs3)O[C@@H]2C1 ZINC001167821767 1086592067 /nfs/dbraw/zinc/59/20/67/1086592067.db2.gz FOMLPVWJTRPBHK-FCGDIQPGSA-N 2 1 365.587 4.114 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ccc(Br)cc2C1 ZINC001167824183 1086606508 /nfs/dbraw/zinc/60/65/08/1086606508.db2.gz CMZUEYTWSSBPDJ-OAHLLOKOSA-N 2 1 353.348 4.318 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001167825850 1086613883 /nfs/dbraw/zinc/61/38/83/1086613883.db2.gz UBNAKYHAQBIZLI-SJBKTWHCSA-N 2 1 359.558 4.073 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346046 1086641250 /nfs/dbraw/zinc/64/12/50/1086641250.db2.gz KBBILSAYHZIFME-MRXNPFEDSA-N 2 1 362.514 4.145 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346046 1086641255 /nfs/dbraw/zinc/64/12/55/1086641255.db2.gz KBBILSAYHZIFME-MRXNPFEDSA-N 2 1 362.514 4.145 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167835214 1086700710 /nfs/dbraw/zinc/70/07/10/1086700710.db2.gz OWFSGGDLDGBVCV-GHTZIAJQSA-N 2 1 369.594 4.124 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001167838251 1086712155 /nfs/dbraw/zinc/71/21/55/1086712155.db2.gz SNJPBYITHWHYDQ-PXNSSMCTSA-N 2 1 352.950 4.398 20 0 FIADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)c2cc1C(C)C ZINC000759967325 1086712338 /nfs/dbraw/zinc/71/23/38/1086712338.db2.gz PDFVSAOCNPIHQK-GOSISDBHSA-N 2 1 356.510 4.141 20 0 FIADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)c2cc1C(C)C ZINC000759967325 1086712347 /nfs/dbraw/zinc/71/23/47/1086712347.db2.gz PDFVSAOCNPIHQK-GOSISDBHSA-N 2 1 356.510 4.141 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001167841898 1086741471 /nfs/dbraw/zinc/74/14/71/1086741471.db2.gz UEEWWMYMQPTHKF-INIZCTEOSA-N 2 1 356.489 4.109 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001167841898 1086741480 /nfs/dbraw/zinc/74/14/80/1086741480.db2.gz UEEWWMYMQPTHKF-INIZCTEOSA-N 2 1 356.489 4.109 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425023 1086750241 /nfs/dbraw/zinc/75/02/41/1086750241.db2.gz SPUDTVTZEZPAMZ-JXFKEZNVSA-N 2 1 350.934 4.272 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)C1 ZINC000650706439 1086755485 /nfs/dbraw/zinc/75/54/85/1086755485.db2.gz KOJFAGDMBVZWKY-ILZDJORESA-N 2 1 374.525 4.273 20 0 FIADMP Fc1ccc(Oc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000650710083 1086765267 /nfs/dbraw/zinc/76/52/67/1086765267.db2.gz CJFPYGAXDZVZHX-XUVXKRRUSA-N 2 1 355.457 4.023 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3c(Cl)cccc3Cl)C2)C1 ZINC000650708696 1086767855 /nfs/dbraw/zinc/76/78/55/1086767855.db2.gz JBQZGCCPFXZOMI-SPYBWZPUSA-N 2 1 371.352 4.144 20 0 FIADMP Clc1ccc2c(ccn2CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000583528306 1086771524 /nfs/dbraw/zinc/77/15/24/1086771524.db2.gz NVVLAHKOHABPDL-UWJYYQICSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528306 1086771529 /nfs/dbraw/zinc/77/15/29/1086771529.db2.gz NVVLAHKOHABPDL-UWJYYQICSA-N 2 1 357.929 4.243 20 0 FIADMP Clc1ccc2c(ccn2CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000583528306 1086771531 /nfs/dbraw/zinc/77/15/31/1086771531.db2.gz NVVLAHKOHABPDL-UWJYYQICSA-N 2 1 357.929 4.243 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449329 1086781113 /nfs/dbraw/zinc/78/11/13/1086781113.db2.gz VEBHWGPQDFNSLN-NSISKUIASA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CCCO1 ZINC000432449329 1086781121 /nfs/dbraw/zinc/78/11/21/1086781121.db2.gz VEBHWGPQDFNSLN-NSISKUIASA-N 2 1 350.934 4.067 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)sc1Br ZINC000512116975 1086785331 /nfs/dbraw/zinc/78/53/31/1086785331.db2.gz QSKAIGMFAIKSSK-GFCCVEGCSA-N 2 1 357.361 4.344 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1F ZINC000512143156 1086832891 /nfs/dbraw/zinc/83/28/91/1086832891.db2.gz DGODHYMLNSLJGP-IHWYPQMZSA-N 2 1 357.379 4.401 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CSC(C)(C)C)CC2)cs1 ZINC000161782918 1086833098 /nfs/dbraw/zinc/83/30/98/1086833098.db2.gz UTMKEQKCPJPDKR-OAHLLOKOSA-N 2 1 369.644 4.427 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250671 1086841147 /nfs/dbraw/zinc/84/11/47/1086841147.db2.gz WQXWGMOSVJQXKD-NSHLNIKCSA-N 2 1 370.562 4.128 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000163250671 1086841157 /nfs/dbraw/zinc/84/11/57/1086841157.db2.gz WQXWGMOSVJQXKD-NSHLNIKCSA-N 2 1 370.562 4.128 20 0 FIADMP COCC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657773891 1086855848 /nfs/dbraw/zinc/85/58/48/1086855848.db2.gz VOWCRMGIKFAYFO-ORFBVSJDSA-N 2 1 356.554 4.084 20 0 FIADMP CCc1oc2ccccc2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000583878297 1087012664 /nfs/dbraw/zinc/01/26/64/1087012664.db2.gz XQBCAELZXGCBPD-JWTNVVGKSA-N 2 1 356.510 4.069 20 0 FIADMP CCc1oc2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000583878297 1087012670 /nfs/dbraw/zinc/01/26/70/1087012670.db2.gz XQBCAELZXGCBPD-JWTNVVGKSA-N 2 1 356.510 4.069 20 0 FIADMP CCc1oc2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000583878297 1087012675 /nfs/dbraw/zinc/01/26/75/1087012675.db2.gz XQBCAELZXGCBPD-JWTNVVGKSA-N 2 1 356.510 4.069 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130670 1087123700 /nfs/dbraw/zinc/12/37/00/1087123700.db2.gz DTFVJZVPHINWAV-UONOGXRCSA-N 2 1 357.325 4.145 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1Oc1cccnc1 ZINC000584343864 1087273040 /nfs/dbraw/zinc/27/30/40/1087273040.db2.gz QAOGSRKRMOVWMW-NRFANRHFSA-N 2 1 365.521 4.346 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCCn2nccc21)C1CCCCC1 ZINC000657841468 1087279437 /nfs/dbraw/zinc/27/94/37/1087279437.db2.gz GUVOASVJEDGJEX-NRFANRHFSA-N 2 1 352.526 4.272 20 0 FIADMP CCOCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000090456831 1087405810 /nfs/dbraw/zinc/40/58/10/1087405810.db2.gz HQTPBFNQYMQXGY-UHFFFAOYSA-N 2 1 362.533 4.019 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cc(F)cc(Br)c1)C(C)C ZINC000657862451 1087425222 /nfs/dbraw/zinc/42/52/22/1087425222.db2.gz DMDWXUKGSPHLAV-INIZCTEOSA-N 2 1 354.267 4.080 20 0 FIADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091333616 1087427564 /nfs/dbraw/zinc/42/75/64/1087427564.db2.gz YPHFVZLKMWIVGD-IBGZPJMESA-N 2 1 371.491 4.020 20 0 FIADMP Cc1nc(-c2cc3c(s2)CC[N@H+](CCCn2cc[nH+]c2C)C3)cs1 ZINC000093259705 1087454723 /nfs/dbraw/zinc/45/47/23/1087454723.db2.gz OPLLKUOQRRPRLL-UHFFFAOYSA-N 2 1 358.536 4.133 20 0 FIADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CCCn2cc[nH+]c2C)C3)cs1 ZINC000093259705 1087454726 /nfs/dbraw/zinc/45/47/26/1087454726.db2.gz OPLLKUOQRRPRLL-UHFFFAOYSA-N 2 1 358.536 4.133 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1F ZINC000178625459 1087557156 /nfs/dbraw/zinc/55/71/56/1087557156.db2.gz VESWBOCHLGJOBV-CQSZACIVSA-N 2 1 351.425 4.106 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)cc2cccnc21 ZINC000685456755 1087573060 /nfs/dbraw/zinc/57/30/60/1087573060.db2.gz ZCCNYQJQLONNIR-UHFFFAOYSA-N 2 1 351.469 4.458 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658134549 1087727266 /nfs/dbraw/zinc/72/72/66/1087727266.db2.gz BGCZWMRGJAFLNG-KNQAVFIVSA-N 2 1 374.475 4.018 20 0 FIADMP C[C@H]([NH2+]CCc1ccnc2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658128247 1087733349 /nfs/dbraw/zinc/73/33/49/1087733349.db2.gz CCHFXPMRKMXOGU-UGKGYDQZSA-N 2 1 359.517 4.278 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000658143558 1087735232 /nfs/dbraw/zinc/73/52/32/1087735232.db2.gz ZHUYNVREMRVGRZ-XZOQPEGZSA-N 2 1 352.522 4.130 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137316 1087741713 /nfs/dbraw/zinc/74/17/13/1087741713.db2.gz GLFMTADMPPNYJJ-DLBZAZTESA-N 2 1 364.942 4.209 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3cccs3)C3CCCC3)cc2)C1 ZINC000658140663 1087745311 /nfs/dbraw/zinc/74/53/11/1087745311.db2.gz QOBDEHGQNQIKBY-RBBKRZOGSA-N 2 1 370.562 4.336 20 0 FIADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3c(F)cccc3F)cs1)CC[NH2+]CC2 ZINC000424296634 1087902344 /nfs/dbraw/zinc/90/23/44/1087902344.db2.gz SCSUQQWVJLXXII-ZDUSSCGKSA-N 2 1 363.477 4.052 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299763 1087904747 /nfs/dbraw/zinc/90/47/47/1087904747.db2.gz VREUQWFYPILBRO-SFHVURJKSA-N 2 1 371.569 4.336 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(Cl)c1 ZINC000424276069 1087908526 /nfs/dbraw/zinc/90/85/26/1087908526.db2.gz XVSGPKWEWAKGLU-HNNXBMFYSA-N 2 1 362.901 4.140 20 0 FIADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000504896668 1087969119 /nfs/dbraw/zinc/96/91/19/1087969119.db2.gz ZDYQTFLXIBOYHO-CVDCTZTESA-N 2 1 363.549 4.081 20 0 FIADMP Cc1nc(COc2ccc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc2)cs1 ZINC000414842130 1088461883 /nfs/dbraw/zinc/46/18/83/1088461883.db2.gz NVNFLBCGCMUKJL-HXUWFJFHSA-N 2 1 359.539 4.028 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3F)C[C@H](C)O1 ZINC000513867228 1088494249 /nfs/dbraw/zinc/49/42/49/1088494249.db2.gz CZLWHLRIIOQLIO-MFEFFIJZSA-N 2 1 368.496 4.212 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233730 1088523143 /nfs/dbraw/zinc/52/31/43/1088523143.db2.gz WHAGKSMAAXRLNI-SJORKVTESA-N 2 1 356.535 4.246 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CCO2 ZINC000178233730 1088523156 /nfs/dbraw/zinc/52/31/56/1088523156.db2.gz WHAGKSMAAXRLNI-SJORKVTESA-N 2 1 356.535 4.246 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000311395649 1088619786 /nfs/dbraw/zinc/61/97/86/1088619786.db2.gz OVWADUDAWLKEAT-CVDCTZTESA-N 2 1 352.522 4.128 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000514090569 1088736469 /nfs/dbraw/zinc/73/64/69/1088736469.db2.gz VLBBGXOMWHMGAV-TZRRMPRUSA-N 2 1 364.533 4.366 20 0 FIADMP c1[nH+]c(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)n2c1CCCC2 ZINC000434680911 1088929565 /nfs/dbraw/zinc/92/95/65/1088929565.db2.gz LIYZTGPIFJGEJT-UHFFFAOYSA-N 2 1 362.477 4.254 20 0 FIADMP c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)oc1C1CC1 ZINC000366604219 1089025322 /nfs/dbraw/zinc/02/53/22/1089025322.db2.gz AIEYUVIUVSHNEE-UHFFFAOYSA-N 2 1 351.494 4.040 20 0 FIADMP c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)oc1C1CC1 ZINC000366604219 1089025340 /nfs/dbraw/zinc/02/53/40/1089025340.db2.gz AIEYUVIUVSHNEE-UHFFFAOYSA-N 2 1 351.494 4.040 20 0 FIADMP CCc1ccccc1[C@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000415044211 1089083689 /nfs/dbraw/zinc/08/36/89/1089083689.db2.gz BLIWTZSOCJKAGQ-PQFKCJEGSA-N 2 1 363.549 4.034 20 0 FIADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC[NH2+]2)cc1 ZINC000415074721 1089125470 /nfs/dbraw/zinc/12/54/70/1089125470.db2.gz AQTZQLVSYDZICU-VXKWHMMOSA-N 2 1 364.537 4.045 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415076844 1089129609 /nfs/dbraw/zinc/12/96/09/1089129609.db2.gz BNTGNTTZAZDAMJ-PKOBYXMFSA-N 2 1 369.509 4.283 20 0 FIADMP Clc1cccc(Cl)c1CCC[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414858992 1089134409 /nfs/dbraw/zinc/13/44/09/1089134409.db2.gz LSXSZMJYGGJSQE-UHFFFAOYSA-N 2 1 352.309 4.091 20 0 FIADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000415083168 1089140469 /nfs/dbraw/zinc/14/04/69/1089140469.db2.gz NBAINPYICOSFHV-APWZRJJASA-N 2 1 364.411 4.297 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415090457 1089143420 /nfs/dbraw/zinc/14/34/20/1089143420.db2.gz OUZSMHLPZFZJHE-YADHBBJMSA-N 2 1 360.505 4.072 20 0 FIADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415090454 1089143962 /nfs/dbraw/zinc/14/39/62/1089143962.db2.gz OUZSMHLPZFZJHE-FCHUYYIVSA-N 2 1 360.505 4.072 20 0 FIADMP CC(C)(C)[NH2+]CC[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415092015 1089158383 /nfs/dbraw/zinc/15/83/83/1089158383.db2.gz RVEAGRJTKKDSOX-UHFFFAOYSA-N 2 1 359.341 4.019 20 0 FIADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415093551 1089158721 /nfs/dbraw/zinc/15/87/21/1089158721.db2.gz VQZAIBHIQZDOMP-ZFCZOSEKSA-N 2 1 358.913 4.499 20 0 FIADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415111536 1089166311 /nfs/dbraw/zinc/16/63/11/1089166311.db2.gz CGQYOKCWZTYRGB-MOXGXCLJSA-N 2 1 373.338 4.463 20 0 FIADMP CC(C)(C)c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000435056673 1089245481 /nfs/dbraw/zinc/24/54/81/1089245481.db2.gz NFZOWWHCIFDSKC-UHFFFAOYSA-N 2 1 358.555 4.353 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000514602027 1089257740 /nfs/dbraw/zinc/25/77/40/1089257740.db2.gz DJSNIDXZKDSVKJ-DENIHFKCSA-N 2 1 374.532 4.158 20 0 FIADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549236667 1089309767 /nfs/dbraw/zinc/30/97/67/1089309767.db2.gz DBGXKGOQMMKLIC-HFRGQYLWSA-N 2 1 362.945 4.269 20 0 FIADMP Fc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958504 1089457180 /nfs/dbraw/zinc/45/71/80/1089457180.db2.gz GCNODMUFVOUKMS-AYHJJNSGSA-N 2 1 367.306 4.083 20 0 FIADMP Fc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958504 1089457188 /nfs/dbraw/zinc/45/71/88/1089457188.db2.gz GCNODMUFVOUKMS-AYHJJNSGSA-N 2 1 367.306 4.083 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCC3CCOCC3)C2)s1 ZINC000514865068 1089555709 /nfs/dbraw/zinc/55/57/09/1089555709.db2.gz FKWPVLIWYXJXTQ-IBGZPJMESA-N 2 1 350.572 4.017 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCC3CCOCC3)C2)s1 ZINC000514865068 1089555718 /nfs/dbraw/zinc/55/57/18/1089555718.db2.gz FKWPVLIWYXJXTQ-IBGZPJMESA-N 2 1 350.572 4.017 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCC3CCOCC3)C2)s1 ZINC000514865068 1089555735 /nfs/dbraw/zinc/55/57/35/1089555735.db2.gz FKWPVLIWYXJXTQ-IBGZPJMESA-N 2 1 350.572 4.017 20 0 FIADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2)cc1OC ZINC000435396843 1089604475 /nfs/dbraw/zinc/60/44/75/1089604475.db2.gz ZNRQNWMKLADRNJ-YOFSQIOKSA-N 2 1 366.505 4.086 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000893030025 1089706195 /nfs/dbraw/zinc/70/61/95/1089706195.db2.gz OOWPCXXLHLSIEQ-UHFFFAOYSA-N 2 1 364.515 4.170 20 0 FIADMP COc1ccc2[nH]cc(C3CC[NH+](CC[C@@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000472855357 1089779117 /nfs/dbraw/zinc/77/91/17/1089779117.db2.gz HDQOLDPIYLQSOJ-SFHVURJKSA-N 2 1 355.526 4.230 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000511565599 1090441269 /nfs/dbraw/zinc/44/12/69/1090441269.db2.gz KJLJRHPULSHRIC-QPXQOZNCSA-N 2 1 352.522 4.069 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511621219 1090839328 /nfs/dbraw/zinc/83/93/28/1090839328.db2.gz BSUHWWCJYNNMBY-FZKQIMNGSA-N 2 1 367.415 4.467 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838778 1090933538 /nfs/dbraw/zinc/93/35/38/1090933538.db2.gz GLZFIHYNJUELSW-UGKGYDQZSA-N 2 1 364.533 4.413 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838778 1090933540 /nfs/dbraw/zinc/93/35/40/1090933540.db2.gz GLZFIHYNJUELSW-UGKGYDQZSA-N 2 1 364.533 4.413 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838777 1090933956 /nfs/dbraw/zinc/93/39/56/1090933956.db2.gz GLZFIHYNJUELSW-SIKLNZKXSA-N 2 1 364.533 4.413 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584838777 1090933959 /nfs/dbraw/zinc/93/39/59/1090933959.db2.gz GLZFIHYNJUELSW-SIKLNZKXSA-N 2 1 364.533 4.413 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256951 1090955782 /nfs/dbraw/zinc/95/57/82/1090955782.db2.gz OUQUFCSLKYXUDR-UKRRQHHQSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256951 1090955784 /nfs/dbraw/zinc/95/57/84/1090955784.db2.gz OUQUFCSLKYXUDR-UKRRQHHQSA-N 2 1 356.432 4.170 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000590612079 1091608476 /nfs/dbraw/zinc/60/84/76/1091608476.db2.gz YBTVTBXKWBUZFR-UHFFFAOYSA-N 2 1 358.489 4.374 20 0 FIADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000511772556 1091657184 /nfs/dbraw/zinc/65/71/84/1091657184.db2.gz MPIMTXJENRGRTE-WOIUINJBSA-N 2 1 352.522 4.214 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000511778250 1091668116 /nfs/dbraw/zinc/66/81/16/1091668116.db2.gz QFXRJWHGOUNYFE-UHFFFAOYSA-N 2 1 368.521 4.226 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069326 1091811335 /nfs/dbraw/zinc/81/13/35/1091811335.db2.gz OPLBRZOCYAKNHH-FGZHOGPDSA-N 2 1 352.522 4.264 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069326 1091811339 /nfs/dbraw/zinc/81/13/39/1091811339.db2.gz OPLBRZOCYAKNHH-FGZHOGPDSA-N 2 1 352.522 4.264 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213465 1091918014 /nfs/dbraw/zinc/91/80/14/1091918014.db2.gz OIJXIBKKFRMNHK-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213465 1091918023 /nfs/dbraw/zinc/91/80/23/1091918023.db2.gz OIJXIBKKFRMNHK-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213465 1091918024 /nfs/dbraw/zinc/91/80/24/1091918024.db2.gz OIJXIBKKFRMNHK-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000512213465 1091918032 /nfs/dbraw/zinc/91/80/32/1091918032.db2.gz OIJXIBKKFRMNHK-ZWKOTPCHSA-N 2 1 355.501 4.460 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cccc5cccnc54)C3)C2)cc1 ZINC000512237840 1091943716 /nfs/dbraw/zinc/94/37/16/1091943716.db2.gz WTPYPGUPFMGXJI-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cccc5cccnc54)C3)C2)cc1 ZINC000512237840 1091943718 /nfs/dbraw/zinc/94/37/18/1091943718.db2.gz WTPYPGUPFMGXJI-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cccc5cccnc54)C3)C2)cc1 ZINC000512237840 1091943722 /nfs/dbraw/zinc/94/37/22/1091943722.db2.gz WTPYPGUPFMGXJI-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc5ncccc5c4)C3)C2)cc1 ZINC000512246898 1091960109 /nfs/dbraw/zinc/96/01/09/1091960109.db2.gz VYCQAZXHRYGVDO-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc5ncccc5c4)C3)C2)cc1 ZINC000512246898 1091960110 /nfs/dbraw/zinc/96/01/10/1091960110.db2.gz VYCQAZXHRYGVDO-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc5ncccc5c4)C3)C2)cc1 ZINC000512246898 1091960113 /nfs/dbraw/zinc/96/01/13/1091960113.db2.gz VYCQAZXHRYGVDO-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000512250463 1091964832 /nfs/dbraw/zinc/96/48/32/1091964832.db2.gz ULNPHKRYZSQJKR-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000512250463 1091964836 /nfs/dbraw/zinc/96/48/36/1091964836.db2.gz ULNPHKRYZSQJKR-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000512250463 1091964840 /nfs/dbraw/zinc/96/48/40/1091964840.db2.gz ULNPHKRYZSQJKR-UHFFFAOYSA-N 2 1 365.949 4.031 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512286058 1092009546 /nfs/dbraw/zinc/00/95/46/1092009546.db2.gz ADOCEWMLFDBZRI-UDIRQSBCSA-N 2 1 370.581 4.470 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000236859011 1092070429 /nfs/dbraw/zinc/07/04/29/1092070429.db2.gz PORMDSNBODFSPR-HKUYNNGSSA-N 2 1 367.578 4.019 20 0 FIADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000093088844 1092229184 /nfs/dbraw/zinc/22/91/84/1092229184.db2.gz DIRMEVCBRXARFK-UHFFFAOYSA-N 2 1 368.521 4.144 20 0 FIADMP C[C@H]1CC(NCc2ccc(C[NH+](C)C)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012184 1092345482 /nfs/dbraw/zinc/34/54/82/1092345482.db2.gz XOPDXFYFDRLVNU-PMACEKPBSA-N 2 1 365.565 4.279 20 0 FIADMP C[C@H]1CC([NH2+]Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012184 1092345490 /nfs/dbraw/zinc/34/54/90/1092345490.db2.gz XOPDXFYFDRLVNU-PMACEKPBSA-N 2 1 365.565 4.279 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665273983 1092435325 /nfs/dbraw/zinc/43/53/25/1092435325.db2.gz HERWSIPNRLTERM-FTJRRQOFSA-N 2 1 350.453 4.046 20 0 FIADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000549678935 1092691604 /nfs/dbraw/zinc/69/16/04/1092691604.db2.gz QTYAVYNRLUKJCV-IBGZPJMESA-N 2 1 352.526 4.426 20 0 FIADMP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000442709030 1092734170 /nfs/dbraw/zinc/73/41/70/1092734170.db2.gz MZVAONBPDSRHFM-KYJSFNMBSA-N 2 1 352.444 4.415 20 0 FIADMP Clc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000047969311 1092743058 /nfs/dbraw/zinc/74/30/58/1092743058.db2.gz XFHIOGFLRCHRLX-UHFFFAOYSA-N 2 1 359.901 4.303 20 0 FIADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442872578 1092819493 /nfs/dbraw/zinc/81/94/93/1092819493.db2.gz JUNMTAMBLFEZNC-GOSISDBHSA-N 2 1 371.491 4.162 20 0 FIADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1(C)C ZINC000442874966 1092822129 /nfs/dbraw/zinc/82/21/29/1092822129.db2.gz RXDXXVPDEIGOOE-NRFANRHFSA-N 2 1 371.956 4.045 20 0 FIADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000442918941 1092866533 /nfs/dbraw/zinc/86/65/33/1092866533.db2.gz DILBXKMHVWNIAR-ZDUSSCGKSA-N 2 1 369.456 4.390 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@@H]1c1cccs1 ZINC000474040210 1092917298 /nfs/dbraw/zinc/91/72/98/1092917298.db2.gz ZTDMQPKMXKALMG-TWHPPBISSA-N 2 1 362.583 4.316 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@@H]1c1cccs1 ZINC000474040210 1092917301 /nfs/dbraw/zinc/91/73/01/1092917301.db2.gz ZTDMQPKMXKALMG-TWHPPBISSA-N 2 1 362.583 4.316 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000474039826 1092951077 /nfs/dbraw/zinc/95/10/77/1092951077.db2.gz TWOLZINXHHLXJL-HYPCABPSSA-N 2 1 370.581 4.472 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000521856026 1092951128 /nfs/dbraw/zinc/95/11/28/1092951128.db2.gz GYGUBXUCYWVMCJ-CQSZACIVSA-N 2 1 359.420 4.372 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000512636277 1093053917 /nfs/dbraw/zinc/05/39/17/1093053917.db2.gz KWGPJIKUDMDHPD-SESVDKBCSA-N 2 1 369.578 4.138 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]CC3CCCCCC3)C3(C2)CCOCC3)cc1 ZINC000549867913 1093104593 /nfs/dbraw/zinc/10/45/93/1093104593.db2.gz HQZBXOGGMDJKOD-HSZRJFAPSA-N 2 1 370.581 4.475 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC([NH+]2CCCCC2)CC1 ZINC000443440221 1093131310 /nfs/dbraw/zinc/13/13/10/1093131310.db2.gz JCTJFGZFPZIWOR-UHFFFAOYSA-N 2 1 374.326 4.452 20 0 FIADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000443584876 1093284400 /nfs/dbraw/zinc/28/44/00/1093284400.db2.gz TXGNBUYMPFWZCA-ORAYPTAESA-N 2 1 371.352 4.005 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443623545 1093343591 /nfs/dbraw/zinc/34/35/91/1093343591.db2.gz PURMMEJMIAMNBI-JXFKEZNVSA-N 2 1 372.944 4.410 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000191476686 1093393668 /nfs/dbraw/zinc/39/36/68/1093393668.db2.gz QKQXQIUVJACHJW-SFHVURJKSA-N 2 1 370.541 4.308 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000191476686 1093393675 /nfs/dbraw/zinc/39/36/75/1093393675.db2.gz QKQXQIUVJACHJW-SFHVURJKSA-N 2 1 370.541 4.308 20 0 FIADMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882857 1093399448 /nfs/dbraw/zinc/39/94/48/1093399448.db2.gz HDYVLYJEJLICFR-QHCPKHFHSA-N 2 1 364.533 4.013 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000191499589 1093421077 /nfs/dbraw/zinc/42/10/77/1093421077.db2.gz ANDKSYXFKONYKD-QGZVFWFLSA-N 2 1 367.497 4.277 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000191499589 1093421080 /nfs/dbraw/zinc/42/10/80/1093421080.db2.gz ANDKSYXFKONYKD-QGZVFWFLSA-N 2 1 367.497 4.277 20 0 FIADMP Cc1ccc(NC(=O)[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000419300263 1093503502 /nfs/dbraw/zinc/50/35/02/1093503502.db2.gz LQMBSGBJVIYHPY-QFIPXVFZSA-N 2 1 365.521 4.139 20 0 FIADMP COc1ccc(Oc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2)cc1 ZINC000544183379 1093511390 /nfs/dbraw/zinc/51/13/90/1093511390.db2.gz FDUVRURZVFMUFQ-GOSISDBHSA-N 2 1 352.478 4.061 20 0 FIADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)c2)CC1 ZINC000433321469 1093582046 /nfs/dbraw/zinc/58/20/46/1093582046.db2.gz OCGZUQJNJMILQC-UHFFFAOYSA-N 2 1 364.493 4.191 20 0 FIADMP Clc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cs2)cc1 ZINC000246447112 1093676956 /nfs/dbraw/zinc/67/69/56/1093676956.db2.gz OZZIFLSSCKZDLR-AEFFLSMTSA-N 2 1 361.942 4.222 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)C1 ZINC000067222654 1093719159 /nfs/dbraw/zinc/71/91/59/1093719159.db2.gz CFQKCAVGVOHYDK-SFHVURJKSA-N 2 1 368.521 4.192 20 0 FIADMP CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000474374827 1093723190 /nfs/dbraw/zinc/72/31/90/1093723190.db2.gz SUGRLCLHHXDUBI-UHFFFAOYSA-N 2 1 372.940 4.149 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000052120117 1093754817 /nfs/dbraw/zinc/75/48/17/1093754817.db2.gz BHSHCDBAGRWZPO-UHFFFAOYSA-N 2 1 371.488 4.142 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3ccccc3n2)cc1 ZINC000614387532 1093805316 /nfs/dbraw/zinc/80/53/16/1093805316.db2.gz JXSJPGACGIUQMB-GOSISDBHSA-N 2 1 360.505 4.294 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000474474550 1093819713 /nfs/dbraw/zinc/81/97/13/1093819713.db2.gz HFRCMLJDVXUSSZ-OTWHNJEPSA-N 2 1 362.558 4.298 20 0 FIADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474485600 1093832728 /nfs/dbraw/zinc/83/27/28/1093832728.db2.gz QQUWUFPOLFEAPW-KDURUIRLSA-N 2 1 354.542 4.232 20 0 FIADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474485600 1093832733 /nfs/dbraw/zinc/83/27/33/1093832733.db2.gz QQUWUFPOLFEAPW-KDURUIRLSA-N 2 1 354.542 4.232 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCCC[NH+]2CCCC2)c1 ZINC000729322828 1093963170 /nfs/dbraw/zinc/96/31/70/1093963170.db2.gz JRQHZWIZDZVPNQ-UHFFFAOYSA-N 2 1 368.525 4.259 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513217012 1094010787 /nfs/dbraw/zinc/01/07/87/1094010787.db2.gz IEXLNNZRKJBDQB-VQIMIIECSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000513217012 1094010794 /nfs/dbraw/zinc/01/07/94/1094010794.db2.gz IEXLNNZRKJBDQB-VQIMIIECSA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513217009 1094011068 /nfs/dbraw/zinc/01/10/68/1094011068.db2.gz IEXLNNZRKJBDQB-APWZRJJASA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000513217009 1094011072 /nfs/dbraw/zinc/01/10/72/1094011072.db2.gz IEXLNNZRKJBDQB-APWZRJJASA-N 2 1 360.448 4.431 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)c1 ZINC000513364817 1094081391 /nfs/dbraw/zinc/08/13/91/1094081391.db2.gz JMMNRTYYVWTDEL-HSZRJFAPSA-N 2 1 360.505 4.002 20 0 FIADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(F)F ZINC000513365674 1094082399 /nfs/dbraw/zinc/08/23/99/1094082399.db2.gz RRCGKMQESSSOFY-GOEBONIOSA-N 2 1 368.468 4.039 20 0 FIADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513418895 1094107011 /nfs/dbraw/zinc/10/70/11/1094107011.db2.gz DIILZWJUNRSXAL-SFHVURJKSA-N 2 1 370.516 4.304 20 0 FIADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513418895 1094107015 /nfs/dbraw/zinc/10/70/15/1094107015.db2.gz DIILZWJUNRSXAL-SFHVURJKSA-N 2 1 370.516 4.304 20 0 FIADMP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000513510500 1094184950 /nfs/dbraw/zinc/18/49/50/1094184950.db2.gz DDNMHCOUICJICE-QUCCMNQESA-N 2 1 368.521 4.094 20 0 FIADMP C[C@@H]1CC([NH2+]Cc2cncn2C2CCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036515 1094288304 /nfs/dbraw/zinc/28/83/04/1094288304.db2.gz UZMNRHRLERUWLY-QZTJIDSGSA-N 2 1 352.526 4.139 20 0 FIADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168037177 1094350107 /nfs/dbraw/zinc/35/01/07/1094350107.db2.gz XCRDOJRQEMMQHA-ZFCUDEJISA-N 2 1 357.586 4.408 20 0 FIADMP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168037177 1094350115 /nfs/dbraw/zinc/35/01/15/1094350115.db2.gz XCRDOJRQEMMQHA-ZFCUDEJISA-N 3 1 357.586 4.408 20 0 FIADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168037177 1094350129 /nfs/dbraw/zinc/35/01/29/1094350129.db2.gz XCRDOJRQEMMQHA-ZFCUDEJISA-N 3 1 357.586 4.408 20 0 FIADMP CC(C)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168037177 1094350149 /nfs/dbraw/zinc/35/01/49/1094350149.db2.gz XCRDOJRQEMMQHA-ZFCUDEJISA-N 3 1 357.586 4.408 20 0 FIADMP CC(C)[NH+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168037177 1094350159 /nfs/dbraw/zinc/35/01/59/1094350159.db2.gz XCRDOJRQEMMQHA-ZFCUDEJISA-N 3 1 357.586 4.408 20 0 FIADMP CC(C)Oc1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501032585 1094431284 /nfs/dbraw/zinc/43/12/84/1094431284.db2.gz QCVURYYSSHXJQK-UHFFFAOYSA-N 2 1 353.510 4.217 20 0 FIADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(N)n1 ZINC001168039886 1094476952 /nfs/dbraw/zinc/47/69/52/1094476952.db2.gz IHSOEVWQKKTACS-DNGCBJQESA-N 2 1 366.553 4.392 20 0 FIADMP CC(C)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(N)n1 ZINC001168039886 1094476956 /nfs/dbraw/zinc/47/69/56/1094476956.db2.gz IHSOEVWQKKTACS-DNGCBJQESA-N 2 1 366.553 4.392 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397395 1094481684 /nfs/dbraw/zinc/48/16/84/1094481684.db2.gz OUONXUJLUGOKOV-HKUYNNGSSA-N 2 1 361.574 4.401 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CCCCC1 ZINC000474720101 1094540398 /nfs/dbraw/zinc/54/03/98/1094540398.db2.gz ORLUKERUKNQJAI-LJQANCHMSA-N 2 1 374.569 4.235 20 0 FIADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474723251 1094542359 /nfs/dbraw/zinc/54/23/59/1094542359.db2.gz PDJNVDSXHJVDQD-DLBZAZTESA-N 2 1 350.934 4.067 20 0 FIADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000474723253 1094543109 /nfs/dbraw/zinc/54/31/09/1094543109.db2.gz PDJNVDSXHJVDQD-IRXDYDNUSA-N 2 1 350.934 4.067 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000453389303 1094543976 /nfs/dbraw/zinc/54/39/76/1094543976.db2.gz XGPHAAUHMXEYGX-YYTDSSBASA-N 2 1 350.506 4.366 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000453389303 1094543978 /nfs/dbraw/zinc/54/39/78/1094543978.db2.gz XGPHAAUHMXEYGX-YYTDSSBASA-N 2 1 350.506 4.366 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000453389299 1094550300 /nfs/dbraw/zinc/55/03/00/1094550300.db2.gz XGPHAAUHMXEYGX-FKEBYFGASA-N 2 1 350.506 4.366 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000453389299 1094550308 /nfs/dbraw/zinc/55/03/08/1094550308.db2.gz XGPHAAUHMXEYGX-FKEBYFGASA-N 2 1 350.506 4.366 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000453405422 1094576083 /nfs/dbraw/zinc/57/60/83/1094576083.db2.gz SLMZJBPADPCBGG-XUEUYAKLSA-N 2 1 356.485 4.190 20 0 FIADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000453405422 1094576091 /nfs/dbraw/zinc/57/60/91/1094576091.db2.gz SLMZJBPADPCBGG-XUEUYAKLSA-N 2 1 356.485 4.190 20 0 FIADMP CC(C)c1nc(CC[N@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041598 1094599702 /nfs/dbraw/zinc/59/97/02/1094599702.db2.gz UBRYCECCPNBFOR-OPVJXMOQSA-N 2 1 370.541 4.109 20 0 FIADMP CC(C)c1nc(CC[N@@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041598 1094599720 /nfs/dbraw/zinc/59/97/20/1094599720.db2.gz UBRYCECCPNBFOR-OPVJXMOQSA-N 2 1 370.541 4.109 20 0 FIADMP CC(C)c1nc(CC[NH+](C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041598 1094599736 /nfs/dbraw/zinc/59/97/36/1094599736.db2.gz UBRYCECCPNBFOR-OPVJXMOQSA-N 2 1 370.541 4.109 20 0 FIADMP CC(C)c1nc(CC[NH+](C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041598 1094599750 /nfs/dbraw/zinc/59/97/50/1094599750.db2.gz UBRYCECCPNBFOR-OPVJXMOQSA-N 2 1 370.541 4.109 20 0 FIADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC000501442333 1094713474 /nfs/dbraw/zinc/71/34/74/1094713474.db2.gz IWUJBRFJLZHXQP-UHFFFAOYSA-N 2 1 369.253 4.079 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H](C)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000474878328 1094825882 /nfs/dbraw/zinc/82/58/82/1094825882.db2.gz OSQNHHNUVRGRRH-CVEARBPZSA-N 2 1 372.944 4.497 20 0 FIADMP COc1ccc2c(c1)[C@H]([N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1)CCO2 ZINC000420296737 1094856235 /nfs/dbraw/zinc/85/62/35/1094856235.db2.gz DRJNZFNXULHETF-XMSQKQJNSA-N 2 1 366.505 4.021 20 0 FIADMP CCC[N@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CC[NH2+]CC1 ZINC000420310300 1094874373 /nfs/dbraw/zinc/87/43/73/1094874373.db2.gz FTVWOSDUVICJSX-UHFFFAOYSA-N 2 1 358.917 4.069 20 0 FIADMP CCC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CC[NH2+]CC1 ZINC000420310300 1094874393 /nfs/dbraw/zinc/87/43/93/1094874393.db2.gz FTVWOSDUVICJSX-UHFFFAOYSA-N 2 1 358.917 4.069 20 0 FIADMP c1cc(C[N@H+](CCCCC2CCOCC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420320635 1094882170 /nfs/dbraw/zinc/88/21/70/1094882170.db2.gz YUCJSGMHYCFWPE-HXUWFJFHSA-N 2 1 362.583 4.289 20 0 FIADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CC[N@@H+](C)[C@@H](C)C4)n3)cc2)CC1 ZINC000420480258 1094933512 /nfs/dbraw/zinc/93/35/12/1094933512.db2.gz IWPHSFNIMLTGBI-PXNSSMCTSA-N 2 1 368.525 4.166 20 0 FIADMP CN(c1ccccc1C[N@H+]1CCSC2(CCC2)CC1)C1CC[NH+](C)CC1 ZINC000414476078 1095137032 /nfs/dbraw/zinc/13/70/32/1095137032.db2.gz IRUGQADZKMORKB-UHFFFAOYSA-N 2 1 373.610 4.079 20 0 FIADMP Fc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCC2)cc1 ZINC000420934643 1095174914 /nfs/dbraw/zinc/17/49/14/1095174914.db2.gz KJLBBENFDZQAJM-QHCPKHFHSA-N 2 1 368.496 4.289 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)[nH+]1 ZINC000502250672 1095267892 /nfs/dbraw/zinc/26/78/92/1095267892.db2.gz ICUAEXRYNSIYBF-WIYYLYMNSA-N 2 1 350.510 4.070 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000502254654 1095274115 /nfs/dbraw/zinc/27/41/15/1095274115.db2.gz NVPPJGPGUNJRRB-UGKGYDQZSA-N 2 1 356.554 4.500 20 0 FIADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000502281372 1095302065 /nfs/dbraw/zinc/30/20/65/1095302065.db2.gz AEAKEYRLHBIELQ-RTBURBONSA-N 2 1 362.558 4.187 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000502281367 1095302957 /nfs/dbraw/zinc/30/29/57/1095302957.db2.gz AEAKEYRLHBIELQ-OALUTQOASA-N 2 1 362.558 4.187 20 0 FIADMP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000502453304 1095473727 /nfs/dbraw/zinc/47/37/27/1095473727.db2.gz PCLOEDOWMSGZCC-XMSQKQJNSA-N 2 1 356.510 4.206 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000502469993 1095497433 /nfs/dbraw/zinc/49/74/33/1095497433.db2.gz DMCSBZQJLXXDDZ-OTWHNJEPSA-N 2 1 374.569 4.186 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)nn1C ZINC000502719171 1095743542 /nfs/dbraw/zinc/74/35/42/1095743542.db2.gz CMKUOENJOGFVRV-SFHVURJKSA-N 2 1 354.542 4.344 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)nn1C ZINC000502719171 1095743556 /nfs/dbraw/zinc/74/35/56/1095743556.db2.gz CMKUOENJOGFVRV-SFHVURJKSA-N 2 1 354.542 4.344 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)cs1 ZINC000503002526 1096010415 /nfs/dbraw/zinc/01/04/15/1096010415.db2.gz CPYYDBAQEKLWOR-PZJWPPBQSA-N 2 1 369.578 4.311 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074296 1096051029 /nfs/dbraw/zinc/05/10/29/1096051029.db2.gz QJOPOUFOBPDRHL-UYAOXDASSA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074296 1096051040 /nfs/dbraw/zinc/05/10/40/1096051040.db2.gz QJOPOUFOBPDRHL-UYAOXDASSA-N 2 1 374.573 4.246 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074296 1096051053 /nfs/dbraw/zinc/05/10/53/1096051053.db2.gz QJOPOUFOBPDRHL-UYAOXDASSA-N 2 1 374.573 4.246 20 0 FIADMP COc1ccc(C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)c2ccc(OC)cc2)cc1 ZINC000503076955 1096054344 /nfs/dbraw/zinc/05/43/44/1096054344.db2.gz WOVQFOICAPMELG-NFBKMPQASA-N 2 1 368.521 4.062 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000503162523 1096100645 /nfs/dbraw/zinc/10/06/45/1096100645.db2.gz VBAUMFGEYBXHRI-AKHDSKFASA-N 2 1 357.542 4.261 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000503162523 1096100649 /nfs/dbraw/zinc/10/06/49/1096100649.db2.gz VBAUMFGEYBXHRI-AKHDSKFASA-N 2 1 357.542 4.261 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000503162523 1096100654 /nfs/dbraw/zinc/10/06/54/1096100654.db2.gz VBAUMFGEYBXHRI-AKHDSKFASA-N 2 1 357.542 4.261 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161334 1096101280 /nfs/dbraw/zinc/10/12/80/1096101280.db2.gz SKQOHEGWJGUGMT-PGRDOPGGSA-N 2 1 365.521 4.302 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000503161334 1096101287 /nfs/dbraw/zinc/10/12/87/1096101287.db2.gz SKQOHEGWJGUGMT-PGRDOPGGSA-N 2 1 365.521 4.302 20 0 FIADMP Cc1cc(C(F)(F)F)cc(NCC2CC[NH+](Cc3ccncc3)CC2)[nH+]1 ZINC000664282984 1096190017 /nfs/dbraw/zinc/19/00/17/1096190017.db2.gz GCHOLBVDMORCAG-UHFFFAOYSA-N 2 1 364.415 4.128 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000414650401 1096337580 /nfs/dbraw/zinc/33/75/80/1096337580.db2.gz DFWCYIYZXAQDDU-UHFFFAOYSA-N 2 1 360.505 4.032 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000414650401 1096337588 /nfs/dbraw/zinc/33/75/88/1096337588.db2.gz DFWCYIYZXAQDDU-UHFFFAOYSA-N 2 1 360.505 4.032 20 0 FIADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422747204 1096481058 /nfs/dbraw/zinc/48/10/58/1096481058.db2.gz PMCLBCJLKAMUGC-RLLPEYFOSA-N 2 1 355.570 4.112 20 0 FIADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422880319 1096511115 /nfs/dbraw/zinc/51/11/15/1096511115.db2.gz WSXVLFSCADGUJF-RNCFNFMXSA-N 2 1 353.240 4.073 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414703562 1096524642 /nfs/dbraw/zinc/52/46/42/1096524642.db2.gz CKYXUSSDKBLLED-UTKZUKDTSA-N 2 1 372.557 4.185 20 0 FIADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000422918089 1096531420 /nfs/dbraw/zinc/53/14/20/1096531420.db2.gz HKBHIPIYLGZKFT-LIRRHRJNSA-N 2 1 368.855 4.051 20 0 FIADMP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422987418 1096545700 /nfs/dbraw/zinc/54/57/00/1096545700.db2.gz GJRIAFXOJXHYTD-KAOXLYBCSA-N 2 1 350.506 4.207 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1)c1c[nH+]ccc1N ZINC000423009043 1096548247 /nfs/dbraw/zinc/54/82/47/1096548247.db2.gz BSTNBGLEVXBKNI-HOTGVXAUSA-N 2 1 359.473 4.335 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423032846 1096554891 /nfs/dbraw/zinc/55/48/91/1096554891.db2.gz YUIZXPREDSWDKO-SJCJKPOMSA-N 2 1 355.379 4.332 20 0 FIADMP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000423038171 1096557625 /nfs/dbraw/zinc/55/76/25/1096557625.db2.gz NXFZRJCTPVHPMS-SUHUHFCYSA-N 2 1 365.237 4.030 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423043647 1096558692 /nfs/dbraw/zinc/55/86/92/1096558692.db2.gz PKVOJNLYRYQHCA-CIAFKFPVSA-N 2 1 371.475 4.223 20 0 FIADMP FC(F)(F)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423066520 1096562157 /nfs/dbraw/zinc/56/21/57/1096562157.db2.gz WWSNGHAHJHOZOI-KBPBESRZSA-N 2 1 354.338 4.431 20 0 FIADMP CCOc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000414721075 1096607611 /nfs/dbraw/zinc/60/76/11/1096607611.db2.gz FJEMWPRQWIQLTP-FQEVSTJZSA-N 2 1 356.535 4.291 20 0 FIADMP Brc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423215071 1096619259 /nfs/dbraw/zinc/61/92/59/1096619259.db2.gz QCWIJECCRFLIRU-KXBFYZLASA-N 2 1 359.311 4.128 20 0 FIADMP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423215070 1096619591 /nfs/dbraw/zinc/61/95/91/1096619591.db2.gz QCWIJECCRFLIRU-HNAYVOBHSA-N 2 1 359.311 4.128 20 0 FIADMP CCOc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000414724260 1096621724 /nfs/dbraw/zinc/62/17/24/1096621724.db2.gz RJNRXTCYIPWRQD-HXUWFJFHSA-N 2 1 356.535 4.291 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423265790 1096627068 /nfs/dbraw/zinc/62/70/68/1096627068.db2.gz RIYVRMKNABSRGU-OXQOHEQNSA-N 2 1 360.546 4.119 20 0 FIADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286333 1096634756 /nfs/dbraw/zinc/63/47/56/1096634756.db2.gz GPOSEOANDWTMGE-JTQLQIEISA-N 2 1 368.344 4.269 20 0 FIADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359227 1096656230 /nfs/dbraw/zinc/65/62/30/1096656230.db2.gz URWVPXAZXNVRFL-KHUIQGCPSA-N 2 1 361.533 4.431 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1F ZINC000423368777 1096658263 /nfs/dbraw/zinc/65/82/63/1096658263.db2.gz NMJCXBJYYAQNDD-TXBNBULBSA-N 2 1 362.386 4.121 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1nc2c(s1)CCCC2 ZINC000423459970 1096689316 /nfs/dbraw/zinc/68/93/16/1096689316.db2.gz AOTNWQORMXQLIV-UWWQBHOKSA-N 2 1 373.541 4.205 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+]Cc1c(C)cc(C)cc1C)c1ccccc1 ZINC000504161801 1096695426 /nfs/dbraw/zinc/69/54/26/1096695426.db2.gz GMNMYBREPANWIL-QHCPKHFHSA-N 2 1 354.538 4.411 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1c(C)cc(C)cc1C)c1ccccc1 ZINC000504161801 1096695433 /nfs/dbraw/zinc/69/54/33/1096695433.db2.gz GMNMYBREPANWIL-QHCPKHFHSA-N 2 1 354.538 4.411 20 0 FIADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2ccccc2)s1 ZINC000423506958 1096701048 /nfs/dbraw/zinc/70/10/48/1096701048.db2.gz JAXNYYRRKAVNIH-QHGAOEGBSA-N 2 1 369.578 4.282 20 0 FIADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423527861 1096713832 /nfs/dbraw/zinc/71/38/32/1096713832.db2.gz WEGPZMFBHAJIEA-XJKSGUPXSA-N 2 1 350.915 4.098 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080375 1098748790 /nfs/dbraw/zinc/74/87/90/1098748790.db2.gz MHLXUNYNFUTFKB-NWSQWKLXSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080375 1098748796 /nfs/dbraw/zinc/74/87/96/1098748796.db2.gz MHLXUNYNFUTFKB-NWSQWKLXSA-N 2 1 366.505 4.162 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647893 1098804024 /nfs/dbraw/zinc/80/40/24/1098804024.db2.gz FDZJVKPRHORSAC-BHIFYINESA-N 2 1 356.554 4.105 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000515647893 1098804043 /nfs/dbraw/zinc/80/40/43/1098804043.db2.gz FDZJVKPRHORSAC-BHIFYINESA-N 2 1 356.554 4.105 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436255128 1098869727 /nfs/dbraw/zinc/86/97/27/1098869727.db2.gz XCWWFNYSLJGSCK-MRXNPFEDSA-N 2 1 366.534 4.453 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)CCCC2)CC1 ZINC000436254921 1098869950 /nfs/dbraw/zinc/86/99/50/1098869950.db2.gz VJGGBZDPSJJOCD-VXKWHMMOSA-N 2 1 370.581 4.411 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000436302387 1098916147 /nfs/dbraw/zinc/91/61/47/1098916147.db2.gz UEADMBQOXNCXAC-GIUOSPMZSA-N 2 1 364.961 4.313 20 0 FIADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436307817 1098930090 /nfs/dbraw/zinc/93/00/90/1098930090.db2.gz LOZDPJSMPYVGAT-PKOBYXMFSA-N 2 1 354.542 4.271 20 0 FIADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436307814 1098930290 /nfs/dbraw/zinc/93/02/90/1098930290.db2.gz LOZDPJSMPYVGAT-HKUYNNGSSA-N 2 1 354.542 4.271 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447234 1099071727 /nfs/dbraw/zinc/07/17/27/1099071727.db2.gz PKNCLIJZTXZWHN-KGLIPLIRSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447234 1099071739 /nfs/dbraw/zinc/07/17/39/1099071739.db2.gz PKNCLIJZTXZWHN-KGLIPLIRSA-N 2 1 372.340 4.127 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447234 1099071752 /nfs/dbraw/zinc/07/17/52/1099071752.db2.gz PKNCLIJZTXZWHN-KGLIPLIRSA-N 2 1 372.340 4.127 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125939 1099644523 /nfs/dbraw/zinc/64/45/23/1099644523.db2.gz HAPKXCNRQPQYTP-NQIIRXRSSA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125939 1099644529 /nfs/dbraw/zinc/64/45/29/1099644529.db2.gz HAPKXCNRQPQYTP-NQIIRXRSSA-N 2 1 352.526 4.012 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125939 1099644533 /nfs/dbraw/zinc/64/45/33/1099644533.db2.gz HAPKXCNRQPQYTP-NQIIRXRSSA-N 2 1 352.526 4.012 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125939 1099644538 /nfs/dbraw/zinc/64/45/38/1099644538.db2.gz HAPKXCNRQPQYTP-NQIIRXRSSA-N 2 1 352.526 4.012 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000508693242 1099827233 /nfs/dbraw/zinc/82/72/33/1099827233.db2.gz CPNJAKCBBLYOLJ-PKOBYXMFSA-N 2 1 357.567 4.309 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1COc2ccccc21 ZINC000508695416 1099827488 /nfs/dbraw/zinc/82/74/88/1099827488.db2.gz FKIRDUFWWYDLQR-XHYAQGIWSA-N 2 1 350.506 4.051 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000508702558 1099856454 /nfs/dbraw/zinc/85/64/54/1099856454.db2.gz ZKXCZHZWMQHWIP-MSYGRNIXSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709834 1099898804 /nfs/dbraw/zinc/89/88/04/1099898804.db2.gz JWNLOLYUTWNSMH-ZMUKGBGYSA-N 2 1 364.533 4.407 20 0 FIADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711700 1099900425 /nfs/dbraw/zinc/90/04/25/1099900425.db2.gz OZVDSXUEROQNBC-JTAQYXEDSA-N 2 1 366.549 4.374 20 0 FIADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508711703 1099902844 /nfs/dbraw/zinc/90/28/44/1099902844.db2.gz OZVDSXUEROQNBC-MIZPHKNDSA-N 2 1 366.549 4.374 20 0 FIADMP C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721368 1099937723 /nfs/dbraw/zinc/93/77/23/1099937723.db2.gz PGLIQDTZLOHXOY-CTNGQTDRSA-N 2 1 370.512 4.485 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722902 1099943118 /nfs/dbraw/zinc/94/31/18/1099943118.db2.gz YQTRHQVGUUTNIR-TZIWHRDSSA-N 2 1 364.533 4.227 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659682 1100129516 /nfs/dbraw/zinc/12/95/16/1100129516.db2.gz RLSRDSMMULFLMU-AZUAARDMSA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659682 1100129521 /nfs/dbraw/zinc/12/95/21/1100129521.db2.gz RLSRDSMMULFLMU-AZUAARDMSA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659682 1100129538 /nfs/dbraw/zinc/12/95/38/1100129538.db2.gz RLSRDSMMULFLMU-AZUAARDMSA-N 2 1 353.510 4.487 20 0 FIADMP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000536673470 1100158933 /nfs/dbraw/zinc/15/89/33/1100158933.db2.gz UXKNESZSEICSPO-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000536673470 1100158937 /nfs/dbraw/zinc/15/89/37/1100158937.db2.gz UXKNESZSEICSPO-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000536673470 1100158941 /nfs/dbraw/zinc/15/89/41/1100158941.db2.gz UXKNESZSEICSPO-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000536673470 1100158944 /nfs/dbraw/zinc/15/89/44/1100158944.db2.gz UXKNESZSEICSPO-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440427 1100175343 /nfs/dbraw/zinc/17/53/43/1100175343.db2.gz USMPOKPKQUUGBA-UZLBHIALSA-N 2 1 360.523 4.025 20 0 FIADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440427 1100175355 /nfs/dbraw/zinc/17/53/55/1100175355.db2.gz USMPOKPKQUUGBA-UZLBHIALSA-N 2 1 360.523 4.025 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C3CC(C)(c4ccccc4)C3)CCCC2)CC1 ZINC000459453017 1100192981 /nfs/dbraw/zinc/19/29/81/1100192981.db2.gz ZQDMWQCNJVVCDD-UHFFFAOYSA-N 2 1 356.554 4.120 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000536704327 1100210287 /nfs/dbraw/zinc/21/02/87/1100210287.db2.gz ZSJGFCCOHKUVCA-IBGZPJMESA-N 2 1 351.538 4.376 20 0 FIADMP C[C@H](CC[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000379620520 1100219310 /nfs/dbraw/zinc/21/93/10/1100219310.db2.gz DCOCTEXWLPNEOS-HXUWFJFHSA-N 2 1 351.538 4.156 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000379620788 1100223475 /nfs/dbraw/zinc/22/34/75/1100223475.db2.gz DNQYPVCLXRWIEX-WIYYLYMNSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000379620788 1100223484 /nfs/dbraw/zinc/22/34/84/1100223484.db2.gz DNQYPVCLXRWIEX-WIYYLYMNSA-N 2 1 368.521 4.237 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425921551 1100256987 /nfs/dbraw/zinc/25/69/87/1100256987.db2.gz QYNUPJSMLRWFOF-QGZVFWFLSA-N 2 1 366.278 4.224 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000425939191 1100361777 /nfs/dbraw/zinc/36/17/77/1100361777.db2.gz ZDZXFOUBSIDOLJ-GHTZIAJQSA-N 2 1 357.929 4.340 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000536849340 1100362341 /nfs/dbraw/zinc/36/23/41/1100362341.db2.gz BVPNXBMKEACTDV-AUSIDOKSSA-N 2 1 352.522 4.128 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000536849340 1100362352 /nfs/dbraw/zinc/36/23/52/1100362352.db2.gz BVPNXBMKEACTDV-AUSIDOKSSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000536855186 1100371870 /nfs/dbraw/zinc/37/18/70/1100371870.db2.gz ZMQGPBWLBNFYJO-MJXNMMHHSA-N 2 1 371.352 4.412 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000536859032 1100374713 /nfs/dbraw/zinc/37/47/13/1100374713.db2.gz RKPVRMUTVRQKAA-NQIIRXRSSA-N 2 1 368.521 4.094 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000536859032 1100374721 /nfs/dbraw/zinc/37/47/21/1100374721.db2.gz RKPVRMUTVRQKAA-NQIIRXRSSA-N 2 1 368.521 4.094 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195286 1100506214 /nfs/dbraw/zinc/50/62/14/1100506214.db2.gz BROBUOLTAHLEMB-WDYCEAGBSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438195286 1100506218 /nfs/dbraw/zinc/50/62/18/1100506218.db2.gz BROBUOLTAHLEMB-WDYCEAGBSA-N 2 1 370.459 4.105 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218639 1100516558 /nfs/dbraw/zinc/51/65/58/1100516558.db2.gz VXCRERPKWVLTMU-QYZOEREBSA-N 2 1 372.475 4.407 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000438218639 1100516565 /nfs/dbraw/zinc/51/65/65/1100516565.db2.gz VXCRERPKWVLTMU-QYZOEREBSA-N 2 1 372.475 4.407 20 0 FIADMP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755146 1100638969 /nfs/dbraw/zinc/63/89/69/1100638969.db2.gz OQBFYLVBMYYJGM-KBXCAEBGSA-N 2 1 351.416 4.455 20 0 FIADMP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000517755146 1100638973 /nfs/dbraw/zinc/63/89/73/1100638973.db2.gz OQBFYLVBMYYJGM-KBXCAEBGSA-N 2 1 351.416 4.455 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)oc2c1 ZINC000426040315 1100706087 /nfs/dbraw/zinc/70/60/87/1100706087.db2.gz USGDHYCJOFSPHZ-INIZCTEOSA-N 2 1 364.493 4.468 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccccc3)CC1)C2 ZINC000426052624 1100740313 /nfs/dbraw/zinc/74/03/13/1100740313.db2.gz YYDGENUXORSFGH-PGRDOPGGSA-N 2 1 364.533 4.368 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414960730 1100970104 /nfs/dbraw/zinc/97/01/04/1100970104.db2.gz AQDZOCJWSUXDLN-QGZVFWFLSA-N 2 1 354.922 4.005 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506464457 1101084726 /nfs/dbraw/zinc/08/47/26/1101084726.db2.gz WKIOFSLUTRVPPA-UHFFFAOYSA-N 2 1 355.526 4.051 20 0 FIADMP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000426331140 1101292450 /nfs/dbraw/zinc/29/24/50/1101292450.db2.gz NHACVWOOGJIICH-GLJUWKHASA-N 2 1 363.343 4.289 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H]1OCCc2sccc21 ZINC000426348254 1101328755 /nfs/dbraw/zinc/32/87/55/1101328755.db2.gz YLGKHZZRXGAWQM-DFPKUZHUSA-N 2 1 362.583 4.383 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H]1OCCc2sccc21 ZINC000426348256 1101329818 /nfs/dbraw/zinc/32/98/18/1101329818.db2.gz YLGKHZZRXGAWQM-KPYYAMLLSA-N 2 1 362.583 4.383 20 0 FIADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000459729285 1101347265 /nfs/dbraw/zinc/34/72/65/1101347265.db2.gz IXWZJJJTZLWOCA-SFHVURJKSA-N 2 1 368.521 4.192 20 0 FIADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)o1 ZINC000537173846 1101518558 /nfs/dbraw/zinc/51/85/58/1101518558.db2.gz LJODFTBNIVITGY-UXPWSPDFSA-N 2 1 366.505 4.481 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)c1 ZINC000102425689 1101526100 /nfs/dbraw/zinc/52/61/00/1101526100.db2.gz SIKYQTXIJVMJGA-KRWDZBQOSA-N 2 1 354.519 4.026 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CC3=Cc4ccccc4OC3)C2)c1 ZINC000102425689 1101526115 /nfs/dbraw/zinc/52/61/15/1101526115.db2.gz SIKYQTXIJVMJGA-KRWDZBQOSA-N 2 1 354.519 4.026 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[N@H+]1C ZINC000537310078 1101631167 /nfs/dbraw/zinc/63/11/67/1101631167.db2.gz CYCANGWTQJOFAC-AEFFLSMTSA-N 2 1 366.534 4.173 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000537359324 1101715481 /nfs/dbraw/zinc/71/54/81/1101715481.db2.gz YFMVUXHAANEQRD-KNKQGSTJSA-N 2 1 356.510 4.097 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996906 1101958133 /nfs/dbraw/zinc/95/81/33/1101958133.db2.gz SXEYZULUSUOOGX-WWMYMODYSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996906 1101958136 /nfs/dbraw/zinc/95/81/36/1101958136.db2.gz SXEYZULUSUOOGX-WWMYMODYSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996909 1101958512 /nfs/dbraw/zinc/95/85/12/1101958512.db2.gz SXEYZULUSUOOGX-XGHQBKJUSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996909 1101958516 /nfs/dbraw/zinc/95/85/16/1101958516.db2.gz SXEYZULUSUOOGX-XGHQBKJUSA-N 2 1 356.485 4.396 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000398009210 1101960305 /nfs/dbraw/zinc/96/03/05/1101960305.db2.gz HVCUEGQRCSUXHM-KGVIQGDOSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398009210 1101960322 /nfs/dbraw/zinc/96/03/22/1101960322.db2.gz HVCUEGQRCSUXHM-KGVIQGDOSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398009210 1101960325 /nfs/dbraw/zinc/96/03/25/1101960325.db2.gz HVCUEGQRCSUXHM-KGVIQGDOSA-N 2 1 368.521 4.265 20 0 FIADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189555 1101996916 /nfs/dbraw/zinc/99/69/16/1101996916.db2.gz DJYYZIVJQXDJFF-PUHATCMVSA-N 2 1 370.581 4.474 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001168284120 1102055482 /nfs/dbraw/zinc/05/54/82/1102055482.db2.gz RPDKLDNXMBGCLX-QHCPKHFHSA-N 2 1 364.533 4.006 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001168183355 1102087649 /nfs/dbraw/zinc/08/76/49/1102087649.db2.gz PRBVIPKZWMSDIA-QFBILLFUSA-N 2 1 364.961 4.283 20 0 FIADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC001168184409 1102106359 /nfs/dbraw/zinc/10/63/59/1102106359.db2.gz PIAJMEMUOIXWFE-BJKOFHAPSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC001168184409 1102106366 /nfs/dbraw/zinc/10/63/66/1102106366.db2.gz PIAJMEMUOIXWFE-BJKOFHAPSA-N 2 1 364.533 4.015 20 0 FIADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC001168184409 1102106370 /nfs/dbraw/zinc/10/63/70/1102106370.db2.gz PIAJMEMUOIXWFE-BJKOFHAPSA-N 2 1 364.533 4.015 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@@H](C)C1 ZINC000467399099 1102230026 /nfs/dbraw/zinc/23/00/26/1102230026.db2.gz CYLUZKLHCNGIGD-LPHOPBHVSA-N 2 1 372.475 4.240 20 0 FIADMP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655751171 1102267775 /nfs/dbraw/zinc/26/77/75/1102267775.db2.gz FXCZQGDOSUSXPG-SIKLNZKXSA-N 2 1 371.569 4.429 20 0 FIADMP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655751171 1102267784 /nfs/dbraw/zinc/26/77/84/1102267784.db2.gz FXCZQGDOSUSXPG-SIKLNZKXSA-N 2 1 371.569 4.429 20 0 FIADMP CN(Cc1cnc(C(C)(C)C)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537632828 1102328138 /nfs/dbraw/zinc/32/81/38/1102328138.db2.gz UKJHUOIBCMLWKH-GOSISDBHSA-N 2 1 357.567 4.395 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc(Br)cn1 ZINC000550797547 1102328908 /nfs/dbraw/zinc/32/89/08/1102328908.db2.gz RXVRJZKYRODOAK-YJLNNSPDSA-N 2 1 374.326 4.330 20 0 FIADMP Fc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCOCC1 ZINC001167969382 1102369992 /nfs/dbraw/zinc/36/99/92/1102369992.db2.gz BOOWSMOQPBFLOB-CRHVVPOVSA-N 2 1 372.528 4.288 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000532488676 1102429482 /nfs/dbraw/zinc/42/94/82/1102429482.db2.gz XOWCKHHFOQVKMX-KEYYUXOJSA-N 2 1 353.348 4.045 20 0 FIADMP Fc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)c1 ZINC001167971241 1102440121 /nfs/dbraw/zinc/44/01/21/1102440121.db2.gz UQKAFVBGCSZKRS-WVUPVLJSSA-N 2 1 372.528 4.288 20 0 FIADMP FC(F)(F)c1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971232 1102440526 /nfs/dbraw/zinc/44/05/26/1102440526.db2.gz UFJGGYALHLOBDC-AYHJJNSGSA-N 2 1 352.444 4.243 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000532519196 1102451437 /nfs/dbraw/zinc/45/14/37/1102451437.db2.gz OPAHMLXRBRNYJW-IMUUDWKMSA-N 2 1 367.415 4.067 20 0 FIADMP COc1ccc(F)c(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000550122917 1102551176 /nfs/dbraw/zinc/55/11/76/1102551176.db2.gz KSTXZRMWSUWEOK-UHFFFAOYSA-N 2 1 356.485 4.356 20 0 FIADMP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000122400887 1102573176 /nfs/dbraw/zinc/57/31/76/1102573176.db2.gz YYHBTXJWNHHXAY-CVEARBPZSA-N 2 1 360.473 4.187 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000061016484 1102615977 /nfs/dbraw/zinc/61/59/77/1102615977.db2.gz NADMQSPNVLVZGJ-UHFFFAOYSA-N 2 1 374.960 4.166 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3Cl)CC2)CC[N@H+]1C ZINC000550882924 1102653709 /nfs/dbraw/zinc/65/37/09/1102653709.db2.gz RTCGIYPVRHRIOI-GXTWGEPZSA-N 2 1 371.750 4.206 20 0 FIADMP C[C@@H]1C[C@H]([N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000664835003 1102654976 /nfs/dbraw/zinc/65/49/76/1102654976.db2.gz BSRMMHKOZBMHCS-STZQEDGTSA-N 2 1 356.554 4.177 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000550886245 1102658043 /nfs/dbraw/zinc/65/80/43/1102658043.db2.gz NOKFQIKJNQAKAT-RBUKOAKNSA-N 2 1 362.521 4.417 20 0 FIADMP C[C@H](c1cnccn1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837035 1102697159 /nfs/dbraw/zinc/69/71/59/1102697159.db2.gz YYANQLCFTMVPCB-GCJKJVERSA-N 2 1 364.537 4.160 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000123024932 1102740155 /nfs/dbraw/zinc/74/01/55/1102740155.db2.gz ODTVUNKWPKLNJE-WBVHZDCISA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123024932 1102740166 /nfs/dbraw/zinc/74/01/66/1102740166.db2.gz ODTVUNKWPKLNJE-WBVHZDCISA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123024932 1102740176 /nfs/dbraw/zinc/74/01/76/1102740176.db2.gz ODTVUNKWPKLNJE-WBVHZDCISA-N 2 1 358.448 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000123024932 1102740187 /nfs/dbraw/zinc/74/01/87/1102740187.db2.gz ODTVUNKWPKLNJE-WBVHZDCISA-N 2 1 358.448 4.279 20 0 FIADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007037 1102758588 /nfs/dbraw/zinc/75/85/88/1102758588.db2.gz CJCMUSGMYRALRJ-VXKWHMMOSA-N 2 1 365.521 4.350 20 0 FIADMP Cc1cccc2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n21 ZINC000537659570 1102763140 /nfs/dbraw/zinc/76/31/40/1102763140.db2.gz LMKUGNTVNHGILO-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000130381196 1102835960 /nfs/dbraw/zinc/83/59/60/1102835960.db2.gz AIHVCVZVSQOBMU-ITQYTPKQSA-N 2 1 370.459 4.103 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000130381196 1102835975 /nfs/dbraw/zinc/83/59/75/1102835975.db2.gz AIHVCVZVSQOBMU-ITQYTPKQSA-N 2 1 370.459 4.103 20 0 FIADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000551092534 1102911342 /nfs/dbraw/zinc/91/13/42/1102911342.db2.gz IEXXUYGNSWDLIT-QHCPKHFHSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000551092534 1102911346 /nfs/dbraw/zinc/91/13/46/1102911346.db2.gz IEXXUYGNSWDLIT-QHCPKHFHSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000551092534 1102911356 /nfs/dbraw/zinc/91/13/56/1102911356.db2.gz IEXXUYGNSWDLIT-QHCPKHFHSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000551092534 1102911359 /nfs/dbraw/zinc/91/13/59/1102911359.db2.gz IEXXUYGNSWDLIT-QHCPKHFHSA-N 2 1 357.586 4.093 20 0 FIADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000551092534 1102911362 /nfs/dbraw/zinc/91/13/62/1102911362.db2.gz IEXXUYGNSWDLIT-QHCPKHFHSA-N 2 1 357.586 4.093 20 0 FIADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000459358598 1102913011 /nfs/dbraw/zinc/91/30/11/1102913011.db2.gz BKTSKKLISONWFQ-VWTGBZJHSA-N 2 1 362.517 4.353 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000551223531 1102991498 /nfs/dbraw/zinc/99/14/98/1102991498.db2.gz UZGLGKMRQKUDTH-MRXNPFEDSA-N 2 1 368.949 4.347 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000551223531 1102991505 /nfs/dbraw/zinc/99/15/05/1102991505.db2.gz UZGLGKMRQKUDTH-MRXNPFEDSA-N 2 1 368.949 4.347 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CCCC[C@@H]3C)cn2c1 ZINC000551225940 1102992144 /nfs/dbraw/zinc/99/21/44/1102992144.db2.gz WRKNIMRVMDMKAC-IBGZPJMESA-N 2 1 362.521 4.307 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CCCC[C@@H]3C)cn2c1 ZINC000551225940 1102992148 /nfs/dbraw/zinc/99/21/48/1102992148.db2.gz WRKNIMRVMDMKAC-IBGZPJMESA-N 2 1 362.521 4.307 20 0 FIADMP CCCCc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000476990971 1102994771 /nfs/dbraw/zinc/99/47/71/1102994771.db2.gz XXNCVGGDVIRALK-MSOLQXFVSA-N 2 1 362.562 4.450 20 0 FIADMP CCCCc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000476990971 1102994773 /nfs/dbraw/zinc/99/47/73/1102994773.db2.gz XXNCVGGDVIRALK-MSOLQXFVSA-N 2 1 362.562 4.450 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265308 1103024188 /nfs/dbraw/zinc/02/41/88/1103024188.db2.gz SRJUMNYDZMWURH-PZJWPPBQSA-N 2 1 368.521 4.167 20 0 FIADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000551265308 1103024205 /nfs/dbraw/zinc/02/42/05/1103024205.db2.gz SRJUMNYDZMWURH-PZJWPPBQSA-N 2 1 368.521 4.167 20 0 FIADMP CCCC(CCC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265659 1103025584 /nfs/dbraw/zinc/02/55/84/1103025584.db2.gz YCIGFRMVHZYGKI-NRFANRHFSA-N 2 1 358.570 4.474 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000729678394 1103026893 /nfs/dbraw/zinc/02/68/93/1103026893.db2.gz TXVCUXVTQSCAGW-UHFFFAOYSA-N 2 1 364.533 4.463 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)CC2CCCC2)CC1 ZINC000551302730 1103059657 /nfs/dbraw/zinc/05/96/57/1103059657.db2.gz YBYIGTPJVUZVTH-DDRJZQQSSA-N 2 1 358.570 4.208 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000551308030 1103082956 /nfs/dbraw/zinc/08/29/56/1103082956.db2.gz IXAYOYLBMIRMCB-BOMBAVFCSA-N 3 1 371.613 4.387 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000551308030 1103082971 /nfs/dbraw/zinc/08/29/71/1103082971.db2.gz IXAYOYLBMIRMCB-BOMBAVFCSA-N 3 1 371.613 4.387 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000551308030 1103082987 /nfs/dbraw/zinc/08/29/87/1103082987.db2.gz IXAYOYLBMIRMCB-BOMBAVFCSA-N 3 1 371.613 4.387 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000551519161 1103311330 /nfs/dbraw/zinc/31/13/30/1103311330.db2.gz AIAVJHCMPLHDNC-ILXRZTDVSA-N 2 1 351.922 4.047 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000551519161 1103311345 /nfs/dbraw/zinc/31/13/45/1103311345.db2.gz AIAVJHCMPLHDNC-ILXRZTDVSA-N 2 1 351.922 4.047 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000551519163 1103312003 /nfs/dbraw/zinc/31/20/03/1103312003.db2.gz AIAVJHCMPLHDNC-QLFBSQMISA-N 2 1 351.922 4.047 20 0 FIADMP COc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000551519163 1103312016 /nfs/dbraw/zinc/31/20/16/1103312016.db2.gz AIAVJHCMPLHDNC-QLFBSQMISA-N 2 1 351.922 4.047 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1COc2ccccc21 ZINC000507485311 1103433701 /nfs/dbraw/zinc/43/37/01/1103433701.db2.gz LKOTXXATFBUPDU-CPWLSYGHSA-N 2 1 362.517 4.051 20 0 FIADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000551749671 1103604028 /nfs/dbraw/zinc/60/40/28/1103604028.db2.gz GCTPSFDARJORMT-INIZCTEOSA-N 2 1 365.949 4.028 20 0 FIADMP COc1cc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1Cl ZINC000550307632 1103738345 /nfs/dbraw/zinc/73/83/45/1103738345.db2.gz FUJLOGYGUFLWRZ-UHFFFAOYSA-N 2 1 372.940 4.188 20 0 FIADMP Cc1cc2cc(C[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)ccc2[nH]1 ZINC000519759449 1103852466 /nfs/dbraw/zinc/85/24/66/1103852466.db2.gz NCTPVWRKCQYBLG-UHFFFAOYSA-N 2 1 365.496 4.412 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@](C)(c4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000188115061 1103993503 /nfs/dbraw/zinc/99/35/03/1103993503.db2.gz XTQRITGCQBHJTA-GMAHTHKFSA-N 2 1 364.537 4.162 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000520203314 1104171357 /nfs/dbraw/zinc/17/13/57/1104171357.db2.gz XCSBFXJNZTXZOZ-QZTJIDSGSA-N 2 1 362.521 4.331 20 0 FIADMP CCOc1ccccc1OCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441386497 1104322697 /nfs/dbraw/zinc/32/26/97/1104322697.db2.gz FGROTJJZRJWSMW-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441386497 1104322708 /nfs/dbraw/zinc/32/27/08/1104322708.db2.gz FGROTJJZRJWSMW-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441386497 1104322717 /nfs/dbraw/zinc/32/27/17/1104322717.db2.gz FGROTJJZRJWSMW-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441386497 1104322725 /nfs/dbraw/zinc/32/27/25/1104322725.db2.gz FGROTJJZRJWSMW-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP CCOc1ccccc1OCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441386497 1104322736 /nfs/dbraw/zinc/32/27/36/1104322736.db2.gz FGROTJJZRJWSMW-UXHICEINSA-N 2 1 360.542 4.051 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394328 1104327507 /nfs/dbraw/zinc/32/75/07/1104327507.db2.gz OHRBHWPSYDOZFQ-OGWOLHLISA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394328 1104327521 /nfs/dbraw/zinc/32/75/21/1104327521.db2.gz OHRBHWPSYDOZFQ-OGWOLHLISA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394328 1104327529 /nfs/dbraw/zinc/32/75/29/1104327529.db2.gz OHRBHWPSYDOZFQ-OGWOLHLISA-N 2 1 350.453 4.298 20 0 FIADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441394328 1104327547 /nfs/dbraw/zinc/32/75/47/1104327547.db2.gz OHRBHWPSYDOZFQ-OGWOLHLISA-N 2 1 350.453 4.298 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccc3F)CC2)cs1 ZINC000112546816 1104369745 /nfs/dbraw/zinc/36/97/45/1104369745.db2.gz BXUACMGHSUJUKO-HNNXBMFYSA-N 2 1 361.530 4.407 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000112517382 1104373889 /nfs/dbraw/zinc/37/38/89/1104373889.db2.gz YBQASLPUVOMKIO-OAHLLOKOSA-N 2 1 362.876 4.162 20 0 FIADMP Clc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976682 1104484352 /nfs/dbraw/zinc/48/43/52/1104484352.db2.gz RZXJLUBFSBBHOK-IRXDYDNUSA-N 2 1 359.901 4.207 20 0 FIADMP Fc1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167995145 1104486105 /nfs/dbraw/zinc/48/61/05/1104486105.db2.gz XSKBWDRWZOAJHQ-ATNRPFFGSA-N 2 1 356.529 4.486 20 0 FIADMP Fc1ccc(C[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167995145 1104486109 /nfs/dbraw/zinc/48/61/09/1104486109.db2.gz XSKBWDRWZOAJHQ-ATNRPFFGSA-N 2 1 356.529 4.486 20 0 FIADMP Fc1ccc(C[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167995145 1104486114 /nfs/dbraw/zinc/48/61/14/1104486114.db2.gz XSKBWDRWZOAJHQ-ATNRPFFGSA-N 2 1 356.529 4.486 20 0 FIADMP Fc1ccccc1COC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995636 1104531456 /nfs/dbraw/zinc/53/14/56/1104531456.db2.gz MBWITNPBBFVXFY-WCRBZPEASA-N 2 1 372.528 4.212 20 0 FIADMP COc1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995686 1104541178 /nfs/dbraw/zinc/54/11/78/1104541178.db2.gz OABUNICWELQADF-CBQGHPETSA-N 2 1 354.538 4.280 20 0 FIADMP COc1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1OC ZINC001167995874 1104574555 /nfs/dbraw/zinc/57/45/55/1104574555.db2.gz UASFGZVAZCTOSG-JGUMPVPUSA-N 2 1 370.537 4.246 20 0 FIADMP COc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1OC ZINC001167995874 1104574561 /nfs/dbraw/zinc/57/45/61/1104574561.db2.gz UASFGZVAZCTOSG-JGUMPVPUSA-N 2 1 370.537 4.246 20 0 FIADMP COc1ccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1OC ZINC001167995874 1104574568 /nfs/dbraw/zinc/57/45/68/1104574568.db2.gz UASFGZVAZCTOSG-JGUMPVPUSA-N 2 1 370.537 4.246 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000536303885 1104635011 /nfs/dbraw/zinc/63/50/11/1104635011.db2.gz HXJCLXRCAGRAPQ-MRXNPFEDSA-N 2 1 357.723 4.164 20 0 FIADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000441438405 1104704025 /nfs/dbraw/zinc/70/40/25/1104704025.db2.gz MBHUEFICDALGSI-QGZVFWFLSA-N 2 1 370.459 4.282 20 0 FIADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001168001668 1104935882 /nfs/dbraw/zinc/93/58/82/1104935882.db2.gz FXPGPBMVLMMDKH-PJEZACDQSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001168001668 1104935885 /nfs/dbraw/zinc/93/58/85/1104935885.db2.gz FXPGPBMVLMMDKH-PJEZACDQSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1ccc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001168001668 1104935888 /nfs/dbraw/zinc/93/58/88/1104935888.db2.gz FXPGPBMVLMMDKH-PJEZACDQSA-N 2 1 368.521 4.016 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190591961 1104944198 /nfs/dbraw/zinc/94/41/98/1104944198.db2.gz COAPLIBVVAIELN-BLLLJJGKSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ncc(Br)cc1F ZINC000427604218 1105044918 /nfs/dbraw/zinc/04/49/18/1105044918.db2.gz OEVCOYGXUQZREK-KBPBESRZSA-N 2 1 372.326 4.288 20 0 FIADMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441629604 1105047811 /nfs/dbraw/zinc/04/78/11/1105047811.db2.gz XFWRRQOHGGAHNO-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1cccc(Cl)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000441629604 1105047817 /nfs/dbraw/zinc/04/78/17/1105047817.db2.gz XFWRRQOHGGAHNO-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1cccc(Cl)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000441629604 1105047820 /nfs/dbraw/zinc/04/78/20/1105047820.db2.gz XFWRRQOHGGAHNO-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375816 1105062901 /nfs/dbraw/zinc/06/29/01/1105062901.db2.gz PYOHKYIQFNZOEA-ZIAGYGMSSA-N 2 1 358.473 4.476 20 0 FIADMP C[C@@H]1CC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@@H](C)O1 ZINC000579545943 1105075912 /nfs/dbraw/zinc/07/59/12/1105075912.db2.gz KJYMRRHKUYUDRM-HMKPXIOTSA-N 2 1 356.554 4.223 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152415390 1105104907 /nfs/dbraw/zinc/10/49/07/1105104907.db2.gz UUNSJICMJIERPT-BLLLJJGKSA-N 2 1 355.309 4.281 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152415390 1105104911 /nfs/dbraw/zinc/10/49/11/1105104911.db2.gz UUNSJICMJIERPT-BLLLJJGKSA-N 2 1 355.309 4.281 20 0 FIADMP Cc1cccnc1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006570 1105112415 /nfs/dbraw/zinc/11/24/15/1105112415.db2.gz NQEQHMNVJHTFME-VTYHHJSWSA-N 2 1 351.538 4.354 20 0 FIADMP C[C@@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1cnc2ccccn21 ZINC001168006931 1105125584 /nfs/dbraw/zinc/12/55/84/1105125584.db2.gz PRTQOGJDBJLAMH-GBESFXJTSA-N 2 1 362.521 4.427 20 0 FIADMP CCN(C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000665193459 1105197847 /nfs/dbraw/zinc/19/78/47/1105197847.db2.gz YIVJENNLQJZCLH-HXUWFJFHSA-N 2 1 372.557 4.009 20 0 FIADMP CCN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000665193459 1105197849 /nfs/dbraw/zinc/19/78/49/1105197849.db2.gz YIVJENNLQJZCLH-HXUWFJFHSA-N 2 1 372.557 4.009 20 0 FIADMP CCN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000665193459 1105197850 /nfs/dbraw/zinc/19/78/50/1105197850.db2.gz YIVJENNLQJZCLH-HXUWFJFHSA-N 2 1 372.557 4.009 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427670396 1105238176 /nfs/dbraw/zinc/23/81/76/1105238176.db2.gz DXOWZCVLJYMPSN-CRAIPNDOSA-N 2 1 369.475 4.435 20 0 FIADMP Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508189228 1105346989 /nfs/dbraw/zinc/34/69/89/1105346989.db2.gz COJNAEFJFSOEGX-HXUWFJFHSA-N 2 1 366.553 4.175 20 0 FIADMP C[C@@H]1CC([N@H+](C)Cc2ccc3c(c2)OCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063887 1106832908 /nfs/dbraw/zinc/83/29/08/1106832908.db2.gz NTMFMGJWKBDBTC-QZTJIDSGSA-N 2 1 366.505 4.289 20 0 FIADMP C[C@@H]1CC([N@@H+](C)Cc2ccc3c(c2)OCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063887 1106832923 /nfs/dbraw/zinc/83/29/23/1106832923.db2.gz NTMFMGJWKBDBTC-QZTJIDSGSA-N 2 1 366.505 4.289 20 0 FIADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168064979 1106885471 /nfs/dbraw/zinc/88/54/71/1106885471.db2.gz TWJZFLFPKJVHDT-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)[C@H]1CCCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168064979 1106885486 /nfs/dbraw/zinc/88/54/86/1106885486.db2.gz TWJZFLFPKJVHDT-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP CCOC(=O)[C@H]1CCCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168064979 1106885507 /nfs/dbraw/zinc/88/55/07/1106885507.db2.gz TWJZFLFPKJVHDT-MXNKGDRCSA-N 2 1 372.553 4.093 20 0 FIADMP Brc1csc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192931618 1106905839 /nfs/dbraw/zinc/90/58/39/1106905839.db2.gz PLQAVYFXFSVDQH-OAHLLOKOSA-N 2 1 365.340 4.122 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000530358433 1106984419 /nfs/dbraw/zinc/98/44/19/1106984419.db2.gz CMCGPAVKNTURFT-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000530358433 1106984420 /nfs/dbraw/zinc/98/44/20/1106984420.db2.gz CMCGPAVKNTURFT-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358433 1106984424 /nfs/dbraw/zinc/98/44/24/1106984424.db2.gz CMCGPAVKNTURFT-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358433 1106984431 /nfs/dbraw/zinc/98/44/31/1106984431.db2.gz CMCGPAVKNTURFT-BAGYTPMASA-N 2 1 356.554 4.463 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301461106 1107037100 /nfs/dbraw/zinc/03/71/00/1107037100.db2.gz IXTZEZBCBLAIQZ-AWEZNQCLSA-N 2 1 362.315 4.165 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000301461106 1107037115 /nfs/dbraw/zinc/03/71/15/1107037115.db2.gz IXTZEZBCBLAIQZ-AWEZNQCLSA-N 2 1 362.315 4.165 20 0 FIADMP CSc1cccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccc(F)c(F)c2)c1 ZINC000530460246 1107055257 /nfs/dbraw/zinc/05/52/57/1107055257.db2.gz CJIKAYLTOGQBTD-FQEVSTJZSA-N 2 1 373.472 4.342 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000530914292 1107409190 /nfs/dbraw/zinc/40/91/90/1107409190.db2.gz WOTFLTQEAVKGTG-MJGOQNOKSA-N 2 1 360.933 4.105 20 0 FIADMP c1ccc(-c2cccc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2)cc1 ZINC000655722713 1107907485 /nfs/dbraw/zinc/90/74/85/1107907485.db2.gz GHAAKIFXEGAKDI-XMMPIXPASA-N 2 1 364.533 4.129 20 0 FIADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000531695133 1108073357 /nfs/dbraw/zinc/07/33/57/1108073357.db2.gz FRRYXWUPARQIOZ-OAHLLOKOSA-N 2 1 353.441 4.488 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000531712333 1108091707 /nfs/dbraw/zinc/09/17/07/1108091707.db2.gz YUANQRLAXPEFKL-VGSWGCGISA-N 2 1 374.488 4.027 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712995 1108093245 /nfs/dbraw/zinc/09/32/45/1108093245.db2.gz UYEWWFNQRNOPHK-ZVZYQTTQSA-N 2 1 358.448 4.103 20 0 FIADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712995 1108093256 /nfs/dbraw/zinc/09/32/56/1108093256.db2.gz UYEWWFNQRNOPHK-ZVZYQTTQSA-N 2 1 358.448 4.103 20 0 FIADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cs1 ZINC000453071150 1108121726 /nfs/dbraw/zinc/12/17/26/1108121726.db2.gz CVARKYKNBJJPMX-NJYVYQBISA-N 2 1 355.551 4.027 20 0 FIADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2sccc21 ZINC000453072610 1108126094 /nfs/dbraw/zinc/12/60/94/1108126094.db2.gz DUWLQVSWNAXDSB-OXJNMPFZSA-N 2 1 356.535 4.309 20 0 FIADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054021 1108131114 /nfs/dbraw/zinc/13/11/14/1108131114.db2.gz BLJJHOCZKGFGSK-PXNSSMCTSA-N 2 1 374.960 4.265 20 0 FIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000453054021 1108131121 /nfs/dbraw/zinc/13/11/21/1108131121.db2.gz BLJJHOCZKGFGSK-PXNSSMCTSA-N 2 1 374.960 4.265 20 0 FIADMP c1csc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453144440 1108194686 /nfs/dbraw/zinc/19/46/86/1108194686.db2.gz MNIXZEQBXUHGPH-AABGKKOBSA-N 2 1 355.551 4.109 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCc4ccccc4CC3)CC2)oc1C ZINC000453134357 1108211000 /nfs/dbraw/zinc/21/10/00/1108211000.db2.gz ZQPFCOHAUPUHBU-UHFFFAOYSA-N 2 1 367.537 4.041 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453140916 1108216511 /nfs/dbraw/zinc/21/65/11/1108216511.db2.gz ZTURPJIYYHUWLG-UXHICEINSA-N 2 1 361.917 4.005 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208582 1108277634 /nfs/dbraw/zinc/27/76/34/1108277634.db2.gz CHGGIICGGLSGCJ-CTNGQTDRSA-N 2 1 374.532 4.260 20 0 FIADMP CC[C@H](COCC(F)(F)F)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453249750 1108323830 /nfs/dbraw/zinc/32/38/30/1108323830.db2.gz DDADPVVIIXNTAG-LMDPOFIKSA-N 2 1 372.475 4.377 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)nc2[nH]1 ZINC000453263044 1108335810 /nfs/dbraw/zinc/33/58/10/1108335810.db2.gz YLYABPCJJUQXOI-BHIFYINESA-N 2 1 360.505 4.096 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)nc2[nH]1 ZINC000453263044 1108335829 /nfs/dbraw/zinc/33/58/29/1108335829.db2.gz YLYABPCJJUQXOI-BHIFYINESA-N 2 1 360.505 4.096 20 0 FIADMP COc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000453292272 1108367261 /nfs/dbraw/zinc/36/72/61/1108367261.db2.gz NHUINDMLBVAPGT-REPLKXPHSA-N 2 1 371.912 4.029 20 0 FIADMP COc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1Cl ZINC000453292272 1108367270 /nfs/dbraw/zinc/36/72/70/1108367270.db2.gz NHUINDMLBVAPGT-REPLKXPHSA-N 2 1 371.912 4.029 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932426 1108402529 /nfs/dbraw/zinc/40/25/29/1108402529.db2.gz GSLYYZYKURPXML-RDJZCZTQSA-N 2 1 363.596 4.011 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941918 1108420314 /nfs/dbraw/zinc/42/03/14/1108420314.db2.gz UDABSPUSPICMEQ-WMZHIEFXSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941918 1108420319 /nfs/dbraw/zinc/42/03/19/1108420319.db2.gz UDABSPUSPICMEQ-WMZHIEFXSA-N 2 1 359.517 4.278 20 0 FIADMP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(O)CCCC1 ZINC000453376410 1108495759 /nfs/dbraw/zinc/49/57/59/1108495759.db2.gz IFGHOKAOXNUKIL-WKCHPHFGSA-N 2 1 356.554 4.103 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H]1CCCOc2c(Br)cccc21)C1CC1 ZINC000453399848 1108502765 /nfs/dbraw/zinc/50/27/65/1108502765.db2.gz LSONMFYMCOMEDQ-KRWDZBQOSA-N 2 1 367.331 4.127 20 0 FIADMP C[N@@H+](CCCC[NH2+]C1CC(c2cccc(Br)c2)C1)C1CC1 ZINC000453405361 1108506019 /nfs/dbraw/zinc/50/60/19/1108506019.db2.gz QJRJXXJJWWTMGZ-UHFFFAOYSA-N 2 1 351.332 4.159 20 0 FIADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000523850864 1108588563 /nfs/dbraw/zinc/58/85/63/1108588563.db2.gz DHFZKVHCJBGDAX-BLLLJJGKSA-N 2 1 374.356 4.276 20 0 FIADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000532193184 1108701198 /nfs/dbraw/zinc/70/11/98/1108701198.db2.gz POZQRNXCZVCVGI-RTBURBONSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000532193184 1108701209 /nfs/dbraw/zinc/70/12/09/1108701209.db2.gz POZQRNXCZVCVGI-RTBURBONSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000532193184 1108701219 /nfs/dbraw/zinc/70/12/19/1108701219.db2.gz POZQRNXCZVCVGI-RTBURBONSA-N 3 1 354.542 4.343 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)ccn2)c1C ZINC000532239735 1108732280 /nfs/dbraw/zinc/73/22/80/1108732280.db2.gz ZPXJMRXZMASZIC-MBOZVWFJSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)ccn2)c1C ZINC000532239735 1108732292 /nfs/dbraw/zinc/73/22/92/1108732292.db2.gz ZPXJMRXZMASZIC-MBOZVWFJSA-N 2 1 353.510 4.309 20 0 FIADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)o2)cc1C ZINC000532344234 1108772642 /nfs/dbraw/zinc/77/26/42/1108772642.db2.gz RJKXLYFICWPBSS-GOSISDBHSA-N 2 1 370.541 4.467 20 0 FIADMP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3cc(Br)ccc31)CC2 ZINC000445595342 1108909596 /nfs/dbraw/zinc/90/95/96/1108909596.db2.gz BXQBAHPLHGNICU-UHFFFAOYSA-N 2 1 360.299 4.062 20 0 FIADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c3cc(Br)ccc31)CC2 ZINC000445595342 1108909602 /nfs/dbraw/zinc/90/96/02/1108909602.db2.gz BXQBAHPLHGNICU-UHFFFAOYSA-N 2 1 360.299 4.062 20 0 FIADMP CCOc1cc2[nH+]ccc(N3CCC4(CCC[N@H+]4C)CC3)c2cc1OCC ZINC000445598494 1108911039 /nfs/dbraw/zinc/91/10/39/1108911039.db2.gz BAQACNMVGOERLJ-UHFFFAOYSA-N 2 1 369.509 4.097 20 0 FIADMP C[NH+](C)CC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000524371783 1108992143 /nfs/dbraw/zinc/99/21/43/1108992143.db2.gz UXBMPXYEFAYDNO-UHFFFAOYSA-N 2 1 363.958 4.161 20 0 FIADMP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000524609608 1109096249 /nfs/dbraw/zinc/09/62/49/1109096249.db2.gz HGBPDISHTXRMLB-QGZVFWFLSA-N 2 1 370.459 4.282 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](CCC(C)C)c3ccoc3)CC2)nc(C)[nH+]1 ZINC000428442944 1109236676 /nfs/dbraw/zinc/23/66/76/1109236676.db2.gz WOVVRYGTVRWUDJ-FQEVSTJZSA-N 2 1 356.514 4.422 20 0 FIADMP CC(C)COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000525188842 1109296251 /nfs/dbraw/zinc/29/62/51/1109296251.db2.gz CKIRIOHKTSNONQ-UHFFFAOYSA-N 2 1 352.522 4.476 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446837787 1109348954 /nfs/dbraw/zinc/34/89/54/1109348954.db2.gz AUVRQPRARKDTSG-UONOGXRCSA-N 2 1 357.311 4.359 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000446837787 1109348961 /nfs/dbraw/zinc/34/89/61/1109348961.db2.gz AUVRQPRARKDTSG-UONOGXRCSA-N 2 1 357.311 4.359 20 0 FIADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835788 1109355836 /nfs/dbraw/zinc/35/58/36/1109355836.db2.gz QLHSPOKCKRRKEO-HTAPYJJXSA-N 2 1 366.530 4.189 20 0 FIADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835788 1109355840 /nfs/dbraw/zinc/35/58/40/1109355840.db2.gz QLHSPOKCKRRKEO-HTAPYJJXSA-N 2 1 366.530 4.189 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000525708987 1109488435 /nfs/dbraw/zinc/48/84/35/1109488435.db2.gz APKHJHHBYBCRQT-APWZRJJASA-N 2 1 364.493 4.013 20 0 FIADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000447514070 1109567237 /nfs/dbraw/zinc/56/72/37/1109567237.db2.gz ATRXOZUNPWBVHB-BJKOFHAPSA-N 2 1 364.533 4.493 20 0 FIADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586194 1109587397 /nfs/dbraw/zinc/58/73/97/1109587397.db2.gz MSMRKFPBCWOCBI-BJESRGMDSA-N 2 1 368.496 4.298 20 0 FIADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000447586194 1109587401 /nfs/dbraw/zinc/58/74/01/1109587401.db2.gz MSMRKFPBCWOCBI-BJESRGMDSA-N 2 1 368.496 4.298 20 0 FIADMP Fc1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(F)c1F ZINC000447591914 1109589505 /nfs/dbraw/zinc/58/95/05/1109589505.db2.gz JIHRUIYEFOTGKG-LDLYASANSA-N 2 1 374.450 4.432 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000447935780 1109682899 /nfs/dbraw/zinc/68/28/99/1109682899.db2.gz JRDRCTGQBLPENW-UTKZUKDTSA-N 2 1 366.534 4.107 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000447935780 1109682902 /nfs/dbraw/zinc/68/29/02/1109682902.db2.gz JRDRCTGQBLPENW-UTKZUKDTSA-N 2 1 366.534 4.107 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000527298596 1109735148 /nfs/dbraw/zinc/73/51/48/1109735148.db2.gz PIMPSLYCXXGGES-FPOVZHCZSA-N 2 1 364.599 4.122 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000527298598 1109735164 /nfs/dbraw/zinc/73/51/64/1109735164.db2.gz PIMPSLYCXXGGES-TZIWHRDSSA-N 2 1 364.599 4.122 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527640620 1109792169 /nfs/dbraw/zinc/79/21/69/1109792169.db2.gz NFRMZBWEYVBEBW-XZOQPEGZSA-N 2 1 357.586 4.110 20 0 FIADMP Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)[C@H]21 ZINC000527749748 1109821251 /nfs/dbraw/zinc/82/12/51/1109821251.db2.gz PTAIYLGONCULPW-ZRBLBEILSA-N 2 1 366.936 4.275 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)cn1 ZINC000528043984 1109892123 /nfs/dbraw/zinc/89/21/23/1109892123.db2.gz RDSIZRRGCCKJGQ-IVZQSRNASA-N 2 1 362.477 4.386 20 0 FIADMP c1c2cccnc2oc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000449049224 1109967839 /nfs/dbraw/zinc/96/78/39/1109967839.db2.gz RGZIZRMOFDSENN-UNMCSNQZSA-N 2 1 361.489 4.314 20 0 FIADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000449086050 1109971108 /nfs/dbraw/zinc/97/11/08/1109971108.db2.gz BLDWKWPOMSVLJF-KRWDZBQOSA-N 2 1 367.306 4.040 20 0 FIADMP Cc1cccc(N2CCC([NH2+]C3CCC(OC4CCCC4)CC3)CC2)[nH+]1 ZINC000449140586 1109984291 /nfs/dbraw/zinc/98/42/91/1109984291.db2.gz JJMGDYXRARGXEF-UHFFFAOYSA-N 2 1 357.542 4.219 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449148529 1109985369 /nfs/dbraw/zinc/98/53/69/1109985369.db2.gz KJCVAKFGOKYGBP-RTWAWAEBSA-N 2 1 362.945 4.102 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000449153942 1109986409 /nfs/dbraw/zinc/98/64/09/1109986409.db2.gz GNMOJBLVZCLFOX-AFTVQHQSSA-N 2 1 370.459 4.244 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000449153942 1109986411 /nfs/dbraw/zinc/98/64/11/1109986411.db2.gz GNMOJBLVZCLFOX-AFTVQHQSSA-N 2 1 370.459 4.244 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@@H]1c1cccs1 ZINC000449160274 1109989379 /nfs/dbraw/zinc/98/93/79/1109989379.db2.gz LDMLHIQGHHLLNI-OXJNMPFZSA-N 2 1 358.555 4.232 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)[C@@H]1c1cccs1 ZINC000449160274 1109989381 /nfs/dbraw/zinc/98/93/81/1109989381.db2.gz LDMLHIQGHHLLNI-OXJNMPFZSA-N 2 1 358.555 4.232 20 0 FIADMP COc1cc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc2ccccc21 ZINC000449166176 1109990994 /nfs/dbraw/zinc/99/09/94/1109990994.db2.gz ZAMPQAYUXZTGTF-UHFFFAOYSA-N 2 1 361.489 4.310 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](C)Cc3coc4ccccc34)CC2)nc(C)[nH+]1 ZINC000449220316 1109999747 /nfs/dbraw/zinc/99/97/47/1109999747.db2.gz CPSAAFJWMOSOII-HNNXBMFYSA-N 2 1 364.493 4.029 20 0 FIADMP Brc1cccc2c(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccnc12 ZINC000449300684 1110020342 /nfs/dbraw/zinc/02/03/42/1110020342.db2.gz PXBAHYBGPWBKHS-UHFFFAOYSA-N 2 1 374.326 4.104 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC[C@H]3CCc4ccccc43)sc2C1 ZINC000449375873 1110043518 /nfs/dbraw/zinc/04/35/18/1110043518.db2.gz JQSQVWBYJPIXGN-QGZVFWFLSA-N 2 1 355.551 4.119 20 0 FIADMP CC1(C)C[N@@H+](CC2CCOCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413037 1110055245 /nfs/dbraw/zinc/05/52/45/1110055245.db2.gz HGWBWLXVAZHCOQ-JOCHJYFZSA-N 2 1 356.554 4.036 20 0 FIADMP COCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000449551959 1110107321 /nfs/dbraw/zinc/10/73/21/1110107321.db2.gz HTJXNNAEXCWECB-GOSISDBHSA-N 2 1 358.448 4.245 20 0 FIADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000538407620 1111129041 /nfs/dbraw/zinc/12/90/41/1111129041.db2.gz HTBIJJKAXYZBRU-LJQANCHMSA-N 2 1 350.506 4.487 20 0 FIADMP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000538730764 1111266932 /nfs/dbraw/zinc/26/69/32/1111266932.db2.gz NBJIAUTYZPOTOX-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000538730764 1111266938 /nfs/dbraw/zinc/26/69/38/1111266938.db2.gz NBJIAUTYZPOTOX-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000538730764 1111266944 /nfs/dbraw/zinc/26/69/44/1111266944.db2.gz NBJIAUTYZPOTOX-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000538730764 1111266949 /nfs/dbraw/zinc/26/69/49/1111266949.db2.gz NBJIAUTYZPOTOX-OAQYLSRUSA-N 2 1 368.521 4.048 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796536 1111293885 /nfs/dbraw/zinc/29/38/85/1111293885.db2.gz KMWCLUPCKLAABL-PTUXOGIPSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Oc2ccccc2)c1 ZINC000538796536 1111293888 /nfs/dbraw/zinc/29/38/88/1111293888.db2.gz KMWCLUPCKLAABL-PTUXOGIPSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799089 1111295817 /nfs/dbraw/zinc/29/58/17/1111295817.db2.gz MMWQXXMXTUHTMH-LSTHTHJFSA-N 2 1 374.525 4.238 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c(-c2cccs2)c1 ZINC000538799089 1111295820 /nfs/dbraw/zinc/29/58/20/1111295820.db2.gz MMWQXXMXTUHTMH-LSTHTHJFSA-N 2 1 374.525 4.238 20 0 FIADMP CCC[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000461797561 1111360030 /nfs/dbraw/zinc/36/00/30/1111360030.db2.gz QXJNRCBMHIDCNI-LJQANCHMSA-N 2 1 367.940 4.080 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000539062132 1111407986 /nfs/dbraw/zinc/40/79/86/1111407986.db2.gz SXRXXFPVHANDKL-YJBOKZPZSA-N 2 1 365.359 4.191 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000539062129 1111408255 /nfs/dbraw/zinc/40/82/55/1111408255.db2.gz SXRXXFPVHANDKL-CRAIPNDOSA-N 2 1 365.359 4.191 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)c1 ZINC000539071969 1111418670 /nfs/dbraw/zinc/41/86/70/1111418670.db2.gz ZITRIMKRTCJZLH-KRWDZBQOSA-N 2 1 371.500 4.173 20 0 FIADMP COc1ccccc1[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000539200476 1111469593 /nfs/dbraw/zinc/46/95/93/1111469593.db2.gz LPMBMDYGSKRVOA-QFIPXVFZSA-N 2 1 372.553 4.161 20 0 FIADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OCc1ccccc1 ZINC000539252975 1111486989 /nfs/dbraw/zinc/48/69/89/1111486989.db2.gz RWNXNAQFFIPDQY-KRWDZBQOSA-N 2 1 365.477 4.130 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462107777 1111495742 /nfs/dbraw/zinc/49/57/42/1111495742.db2.gz IFMCEBOCAZDVTO-QGTPRVQTSA-N 2 1 353.348 4.233 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462107777 1111495745 /nfs/dbraw/zinc/49/57/45/1111495745.db2.gz IFMCEBOCAZDVTO-QGTPRVQTSA-N 2 1 353.348 4.233 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCCC2)o1 ZINC000539369152 1111532396 /nfs/dbraw/zinc/53/23/96/1111532396.db2.gz COAKRZVPHZRXMQ-QHCPKHFHSA-N 2 1 368.521 4.441 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(-n3ccnc3)c2)CC1 ZINC000552048320 1111557612 /nfs/dbraw/zinc/55/76/12/1111557612.db2.gz OKTQXNIHPBDHTG-UHFFFAOYSA-N 2 1 374.532 4.405 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000477869546 1111591363 /nfs/dbraw/zinc/59/13/63/1111591363.db2.gz XUSZAONIWSWPDE-BFQNTYOBSA-N 2 1 354.325 4.336 20 0 FIADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000552129160 1111594149 /nfs/dbraw/zinc/59/41/49/1111594149.db2.gz CLHRQRLWBFZJPC-NRFANRHFSA-N 2 1 356.554 4.036 20 0 FIADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000552129160 1111594150 /nfs/dbraw/zinc/59/41/50/1111594150.db2.gz CLHRQRLWBFZJPC-NRFANRHFSA-N 2 1 356.554 4.036 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000552129160 1111594153 /nfs/dbraw/zinc/59/41/53/1111594153.db2.gz CLHRQRLWBFZJPC-NRFANRHFSA-N 2 1 356.554 4.036 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000552129160 1111594154 /nfs/dbraw/zinc/59/41/54/1111594154.db2.gz CLHRQRLWBFZJPC-NRFANRHFSA-N 2 1 356.554 4.036 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000552129160 1111594155 /nfs/dbraw/zinc/59/41/55/1111594155.db2.gz CLHRQRLWBFZJPC-NRFANRHFSA-N 2 1 356.554 4.036 20 0 FIADMP CC(C)(C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCC1 ZINC000477917391 1111608511 /nfs/dbraw/zinc/60/85/11/1111608511.db2.gz NXHMFUOOMUJDKY-QGZVFWFLSA-N 2 1 355.448 4.189 20 0 FIADMP C[NH+](C)CC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000552283346 1111648532 /nfs/dbraw/zinc/64/85/32/1111648532.db2.gz AFOGPOITMQBUKM-UHFFFAOYSA-N 3 1 357.586 4.141 20 0 FIADMP CN(C)CC1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000552283346 1111648535 /nfs/dbraw/zinc/64/85/35/1111648535.db2.gz AFOGPOITMQBUKM-UHFFFAOYSA-N 2 1 357.586 4.141 20 0 FIADMP CN(C)CC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000552283346 1111648539 /nfs/dbraw/zinc/64/85/39/1111648539.db2.gz AFOGPOITMQBUKM-UHFFFAOYSA-N 2 1 357.586 4.141 20 0 FIADMP CCC[N@H+](Cc1ccc(C)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000552300583 1111666196 /nfs/dbraw/zinc/66/61/96/1111666196.db2.gz QYYDKDYOKFUUEY-UHFFFAOYSA-N 2 1 358.555 4.344 20 0 FIADMP CCC[N@@H+](Cc1ccc(C)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000552300583 1111666198 /nfs/dbraw/zinc/66/61/98/1111666198.db2.gz QYYDKDYOKFUUEY-UHFFFAOYSA-N 2 1 358.555 4.344 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000552318322 1111676233 /nfs/dbraw/zinc/67/62/33/1111676233.db2.gz WZDUZUWSZCHQGS-YSSFQJQWSA-N 2 1 350.934 4.128 20 0 FIADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552338232 1111678897 /nfs/dbraw/zinc/67/88/97/1111678897.db2.gz BSSSJJRBSPYJSX-KZNAEPCWSA-N 2 1 352.444 4.219 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(C)C)c1cccc(Br)c1 ZINC000479074581 1111944492 /nfs/dbraw/zinc/94/44/92/1111944492.db2.gz GXGJVQJZPNIJBM-KRWDZBQOSA-N 2 1 350.304 4.331 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479253679 1111976231 /nfs/dbraw/zinc/97/62/31/1111976231.db2.gz LXTLKXSLWOHHRK-IBGZPJMESA-N 2 1 370.294 4.333 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264337 1111978912 /nfs/dbraw/zinc/97/89/12/1111978912.db2.gz COCFIAOSKZLLKB-JXFKEZNVSA-N 2 1 373.338 4.470 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479264337 1111978914 /nfs/dbraw/zinc/97/89/14/1111978914.db2.gz COCFIAOSKZLLKB-JXFKEZNVSA-N 2 1 373.338 4.470 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479332034 1111994363 /nfs/dbraw/zinc/99/43/63/1111994363.db2.gz SFMRNBJMCPLHRW-SIKLNZKXSA-N 2 1 366.553 4.494 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358116 1111998279 /nfs/dbraw/zinc/99/82/79/1111998279.db2.gz ITJOBOOUQXSMCA-GUYCJALGSA-N 2 1 351.332 4.103 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334878 1111998745 /nfs/dbraw/zinc/99/87/45/1111998745.db2.gz JVOYLKPCTVKWTG-WIYYLYMNSA-N 2 1 352.526 4.104 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479334878 1111998746 /nfs/dbraw/zinc/99/87/46/1111998746.db2.gz JVOYLKPCTVKWTG-WIYYLYMNSA-N 2 1 352.526 4.104 20 0 FIADMP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000479368077 1112001803 /nfs/dbraw/zinc/00/18/03/1112001803.db2.gz XSPXOXKUZUCUEO-KPZWWZAWSA-N 2 1 367.306 4.113 20 0 FIADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000479441352 1112024320 /nfs/dbraw/zinc/02/43/20/1112024320.db2.gz BFFLLMVLAPRKMJ-URXFXBBRSA-N 2 1 364.533 4.128 20 0 FIADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000479584708 1112080179 /nfs/dbraw/zinc/08/01/79/1112080179.db2.gz BUOVBJHPXGMKTQ-QGZVFWFLSA-N 2 1 351.560 4.129 20 0 FIADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000553863358 1112113856 /nfs/dbraw/zinc/11/38/56/1112113856.db2.gz PCRFFKVFWXBZIJ-UHFFFAOYSA-N 2 1 362.386 4.291 20 0 FIADMP Fc1ccc(C(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000479783896 1112140877 /nfs/dbraw/zinc/14/08/77/1112140877.db2.gz QWAOARZQMFFLBR-KDURUIRLSA-N 2 1 356.460 4.028 20 0 FIADMP CCc1ccc([C@@H](CC)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000479875405 1112173617 /nfs/dbraw/zinc/17/36/17/1112173617.db2.gz QLRNLECEDZTKPS-HSZRJFAPSA-N 2 1 352.522 4.322 20 0 FIADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000479902319 1112182676 /nfs/dbraw/zinc/18/26/76/1112182676.db2.gz LCNXWEJKEXBQNO-HXUWFJFHSA-N 2 1 352.522 4.295 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000479945512 1112210504 /nfs/dbraw/zinc/21/05/04/1112210504.db2.gz ZNXUXXZHVATOIL-UHFFFAOYSA-N 2 1 361.489 4.108 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000479945512 1112210506 /nfs/dbraw/zinc/21/05/06/1112210506.db2.gz ZNXUXXZHVATOIL-UHFFFAOYSA-N 2 1 361.489 4.108 20 0 FIADMP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898517547 1112289038 /nfs/dbraw/zinc/28/90/38/1112289038.db2.gz PSPPSVOFHJYOQW-CEXWTWQISA-N 2 1 370.566 4.052 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554373006 1112324617 /nfs/dbraw/zinc/32/46/17/1112324617.db2.gz BNJKMQALRWFQCG-LYNVYRENSA-N 2 1 354.469 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554373006 1112324622 /nfs/dbraw/zinc/32/46/22/1112324622.db2.gz BNJKMQALRWFQCG-LYNVYRENSA-N 2 1 354.469 4.148 20 0 FIADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480252517 1112350650 /nfs/dbraw/zinc/35/06/50/1112350650.db2.gz USQBPFAIKWSZNE-RGKFVRLKSA-N 2 1 364.533 4.319 20 0 FIADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000480252437 1112350964 /nfs/dbraw/zinc/35/09/64/1112350964.db2.gz UWUIBEWPSDQYEC-PKOBYXMFSA-N 2 1 371.491 4.076 20 0 FIADMP CC(C)(C)OC(=O)c1cccc(CN2CCC(Nc3ccccn3)CC2)c1 ZINC000554550957 1112392156 /nfs/dbraw/zinc/39/21/56/1112392156.db2.gz XWPOYRQZAMBOQG-UHFFFAOYSA-N 2 1 367.493 4.113 20 0 FIADMP CC(C)n1ncc2c1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000480461090 1112438729 /nfs/dbraw/zinc/43/87/29/1112438729.db2.gz NEIDFMBXESENMW-NRFANRHFSA-N 2 1 368.569 4.069 20 0 FIADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000480552497 1112472730 /nfs/dbraw/zinc/47/27/30/1112472730.db2.gz OEAQIMMEIADHFZ-OAHLLOKOSA-N 2 1 356.913 4.363 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nnn1-c1ccc(C)cc1 ZINC000480612898 1112500896 /nfs/dbraw/zinc/50/08/96/1112500896.db2.gz ODDCVVXQHBKVJU-OALUTQOASA-N 2 1 369.557 4.189 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000480613865 1112501741 /nfs/dbraw/zinc/50/17/41/1112501741.db2.gz TZDRISUJPLPEOY-ZCNNSNEGSA-N 2 1 371.569 4.222 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000480630551 1112510404 /nfs/dbraw/zinc/51/04/04/1112510404.db2.gz JZGFTFADSQPVNL-JKSUJKDBSA-N 2 1 352.494 4.006 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C1 ZINC000480651834 1112530242 /nfs/dbraw/zinc/53/02/42/1112530242.db2.gz XCRXUOAEISCAIG-FQEVSTJZSA-N 2 1 374.532 4.394 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)C1 ZINC000480651834 1112530246 /nfs/dbraw/zinc/53/02/46/1112530246.db2.gz XCRXUOAEISCAIG-FQEVSTJZSA-N 2 1 374.532 4.394 20 0 FIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000554879021 1112550208 /nfs/dbraw/zinc/55/02/08/1112550208.db2.gz KKBAFBGHRFXDEQ-HXUWFJFHSA-N 2 1 353.485 4.051 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000480713549 1112566760 /nfs/dbraw/zinc/56/67/60/1112566760.db2.gz WMJANZIROTXJDL-IBGZPJMESA-N 2 1 365.359 4.234 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745817 1112582920 /nfs/dbraw/zinc/58/29/20/1112582920.db2.gz OWNJKWRUYOTLID-YSIASYRMSA-N 2 1 352.526 4.075 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745817 1112582922 /nfs/dbraw/zinc/58/29/22/1112582922.db2.gz OWNJKWRUYOTLID-YSIASYRMSA-N 2 1 352.526 4.075 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccs1 ZINC000480908248 1112672553 /nfs/dbraw/zinc/67/25/53/1112672553.db2.gz HPMVRVDPZVYMHN-OAQYLSRUSA-N 2 1 371.594 4.373 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000481313120 1112897215 /nfs/dbraw/zinc/89/72/15/1112897215.db2.gz JDLCVSDMDGHJDH-UGKGYDQZSA-N 2 1 374.569 4.235 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000481313120 1112897224 /nfs/dbraw/zinc/89/72/24/1112897224.db2.gz JDLCVSDMDGHJDH-UGKGYDQZSA-N 2 1 374.569 4.235 20 0 FIADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000481325653 1112901125 /nfs/dbraw/zinc/90/11/25/1112901125.db2.gz WEZFBHNSCIUCSX-SFHVURJKSA-N 2 1 367.306 4.040 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000481418477 1112936783 /nfs/dbraw/zinc/93/67/83/1112936783.db2.gz LDSPMBVWEXLIOA-AYOQOUSVSA-N 2 1 371.491 4.018 20 0 FIADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481420533 1112937355 /nfs/dbraw/zinc/93/73/55/1112937355.db2.gz CQUIKRBYJBTROP-GOSISDBHSA-N 2 1 367.306 4.182 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Br ZINC000481446523 1112945668 /nfs/dbraw/zinc/94/56/68/1112945668.db2.gz QYLWKSLGYKFOSP-ZDUSSCGKSA-N 2 1 367.331 4.125 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539097 1112972982 /nfs/dbraw/zinc/97/29/82/1112972982.db2.gz XXZHKYKKUYAFAR-OPAMFIHVSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cc(F)ccc1F ZINC000481539097 1112972984 /nfs/dbraw/zinc/97/29/84/1112972984.db2.gz XXZHKYKKUYAFAR-OPAMFIHVSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547334 1112977360 /nfs/dbraw/zinc/97/73/60/1112977360.db2.gz RUDKHLVZEKQQJK-AOMKIAJQSA-N 2 1 374.475 4.426 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1F ZINC000481547334 1112977363 /nfs/dbraw/zinc/97/73/63/1112977363.db2.gz RUDKHLVZEKQQJK-AOMKIAJQSA-N 2 1 374.475 4.426 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000481556795 1112980290 /nfs/dbraw/zinc/98/02/90/1112980290.db2.gz KJMHXPAYXRAOOF-YJBOKZPZSA-N 2 1 354.460 4.447 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000481556794 1112980545 /nfs/dbraw/zinc/98/05/45/1112980545.db2.gz KJMHXPAYXRAOOF-QAPCUYQASA-N 2 1 354.460 4.447 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000556051119 1113127285 /nfs/dbraw/zinc/12/72/85/1113127285.db2.gz BEKJHPRSKJUDGO-AZUAARDMSA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000556051119 1113127289 /nfs/dbraw/zinc/12/72/89/1113127289.db2.gz BEKJHPRSKJUDGO-AZUAARDMSA-N 2 1 360.448 4.256 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943042 1113135834 /nfs/dbraw/zinc/13/58/34/1113135834.db2.gz DYASQBIGVUHUCK-KSEOMHKRSA-N 2 1 369.553 4.163 20 0 FIADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000481996045 1113151442 /nfs/dbraw/zinc/15/14/42/1113151442.db2.gz ZOLANJMSVSNUCR-NFBKMPQASA-N 2 1 364.533 4.156 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132457 1113178380 /nfs/dbraw/zinc/17/83/80/1113178380.db2.gz ZVGMHZYUGWJYHV-IRXDYDNUSA-N 2 1 356.535 4.341 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)COC2 ZINC000482132457 1113178384 /nfs/dbraw/zinc/17/83/84/1113178384.db2.gz ZVGMHZYUGWJYHV-IRXDYDNUSA-N 2 1 356.535 4.341 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123227 1113181625 /nfs/dbraw/zinc/18/16/25/1113181625.db2.gz VGAFPJDQDZWOEU-ZJSXRUAMSA-N 2 1 366.549 4.484 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123227 1113181627 /nfs/dbraw/zinc/18/16/27/1113181627.db2.gz VGAFPJDQDZWOEU-ZJSXRUAMSA-N 2 1 366.549 4.484 20 0 FIADMP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000482207144 1113199501 /nfs/dbraw/zinc/19/95/01/1113199501.db2.gz BVQGJIDCHHEJDA-UHFFFAOYSA-N 2 1 372.896 4.012 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000482334314 1113228109 /nfs/dbraw/zinc/22/81/09/1113228109.db2.gz NSAZRZFUJIJXDC-JTSKRJEESA-N 2 1 371.569 4.320 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451278 1113263578 /nfs/dbraw/zinc/26/35/78/1113263578.db2.gz RXCFWQDHBBSMNC-REWPJTCUSA-N 2 1 352.522 4.301 20 0 FIADMP Clc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCCC2 ZINC000482540778 1113288068 /nfs/dbraw/zinc/28/80/68/1113288068.db2.gz UWOUWIMKQSBMCD-FQEVSTJZSA-N 2 1 362.945 4.342 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cc2c1 ZINC000482758664 1113353934 /nfs/dbraw/zinc/35/39/34/1113353934.db2.gz GWCKJLXTTMUTJI-IBGZPJMESA-N 2 1 364.489 4.096 20 0 FIADMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cc2c1 ZINC000482758664 1113353936 /nfs/dbraw/zinc/35/39/36/1113353936.db2.gz GWCKJLXTTMUTJI-IBGZPJMESA-N 2 1 364.489 4.096 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(OCCCc2ccccc2)c1 ZINC000482906549 1113396685 /nfs/dbraw/zinc/39/66/85/1113396685.db2.gz WPMKRSDLBDXZNQ-HYBUGGRVSA-N 2 1 366.549 4.171 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)[C@@H](C)C1 ZINC000483139775 1113452029 /nfs/dbraw/zinc/45/20/29/1113452029.db2.gz YNDUMKJQIQHVOC-LAQRGFTBSA-N 2 1 368.612 4.400 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)[C@@H](C)C1 ZINC000483139775 1113452030 /nfs/dbraw/zinc/45/20/30/1113452030.db2.gz YNDUMKJQIQHVOC-LAQRGFTBSA-N 2 1 368.612 4.400 20 0 FIADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299409 1113482738 /nfs/dbraw/zinc/48/27/38/1113482738.db2.gz XPMCLNUPLSXPQN-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299409 1113482741 /nfs/dbraw/zinc/48/27/41/1113482741.db2.gz XPMCLNUPLSXPQN-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299409 1113482745 /nfs/dbraw/zinc/48/27/45/1113482745.db2.gz XPMCLNUPLSXPQN-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000483299409 1113482747 /nfs/dbraw/zinc/48/27/47/1113482747.db2.gz XPMCLNUPLSXPQN-MRXNPFEDSA-N 2 1 360.448 4.389 20 0 FIADMP COc1ccc2oc(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374954 1113555963 /nfs/dbraw/zinc/55/59/63/1113555963.db2.gz MTIGZBKBAUKKQX-HKUYNNGSSA-N 2 1 364.489 4.442 20 0 FIADMP COc1ccc2oc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374954 1113555966 /nfs/dbraw/zinc/55/59/66/1113555966.db2.gz MTIGZBKBAUKKQX-HKUYNNGSSA-N 2 1 364.489 4.442 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486376489 1113556772 /nfs/dbraw/zinc/55/67/72/1113556772.db2.gz OYSGEFHMBCYIHN-KNQAVFIVSA-N 2 1 374.532 4.181 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486381617 1113557311 /nfs/dbraw/zinc/55/73/11/1113557311.db2.gz YFHZXQZYVIZTLJ-APWZRJJASA-N 2 1 355.551 4.411 20 0 FIADMP C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486381617 1113557315 /nfs/dbraw/zinc/55/73/15/1113557315.db2.gz YFHZXQZYVIZTLJ-APWZRJJASA-N 2 1 355.551 4.411 20 0 FIADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489712 1113577624 /nfs/dbraw/zinc/57/76/24/1113577624.db2.gz OTAFVMHKPXCQQQ-LPHOPBHVSA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000486489712 1113577626 /nfs/dbraw/zinc/57/76/26/1113577626.db2.gz OTAFVMHKPXCQQQ-LPHOPBHVSA-N 2 1 358.913 4.349 20 0 FIADMP C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486511421 1113584829 /nfs/dbraw/zinc/58/48/29/1113584829.db2.gz ZBNHCLCLSJMNNH-GHTZIAJQSA-N 2 1 360.505 4.077 20 0 FIADMP C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486511421 1113584833 /nfs/dbraw/zinc/58/48/33/1113584833.db2.gz ZBNHCLCLSJMNNH-GHTZIAJQSA-N 2 1 360.505 4.077 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000486532978 1113589703 /nfs/dbraw/zinc/58/97/03/1113589703.db2.gz GZAUMMNTMSSFNW-PKOBYXMFSA-N 2 1 357.567 4.342 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000486532978 1113589705 /nfs/dbraw/zinc/58/97/05/1113589705.db2.gz GZAUMMNTMSSFNW-PKOBYXMFSA-N 2 1 357.567 4.342 20 0 FIADMP Fc1ccc2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690394 1113624363 /nfs/dbraw/zinc/62/43/63/1113624363.db2.gz SSTKKVOFZAQAPU-OAHLLOKOSA-N 2 1 357.498 4.370 20 0 FIADMP Fc1ccc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690394 1113624367 /nfs/dbraw/zinc/62/43/67/1113624367.db2.gz SSTKKVOFZAQAPU-OAHLLOKOSA-N 2 1 357.498 4.370 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000488117323 1113859277 /nfs/dbraw/zinc/85/92/77/1113859277.db2.gz YEJCEYWWTCUQKI-BRKWEVRTSA-N 2 1 354.538 4.108 20 0 FIADMP C[C@@H]1CSCC[NH+](Cc2cccc(C[N@@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000488198907 1113876434 /nfs/dbraw/zinc/87/64/34/1113876434.db2.gz KPOSVDUOONUWSL-ROUUACIJSA-N 2 1 364.624 4.056 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000489524641 1114124381 /nfs/dbraw/zinc/12/43/81/1114124381.db2.gz VCLGGPAQBCGLGD-ZIAGYGMSSA-N 2 1 357.311 4.359 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000489508281 1114126091 /nfs/dbraw/zinc/12/60/91/1114126091.db2.gz JPYADKNGDJMXEJ-OAQYLSRUSA-N 2 1 353.510 4.354 20 0 FIADMP Cc1c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cccc1C(F)(F)F ZINC001212145514 1114430951 /nfs/dbraw/zinc/43/09/51/1114430951.db2.gz VQIYOTGPZVUGAA-HNNXBMFYSA-N 2 1 370.419 4.232 20 0 FIADMP c1oc(-c2ccccc2)nc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571211356 1114452886 /nfs/dbraw/zinc/45/28/86/1114452886.db2.gz GGQWAKDEWVJBBD-FGZHOGPDSA-N 2 1 373.500 4.296 20 0 FIADMP Fc1ccc(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c(Cl)c1 ZINC001168380184 1114494749 /nfs/dbraw/zinc/49/47/49/1114494749.db2.gz PXGFKVBUVFLXMH-UHFFFAOYSA-N 2 1 366.908 4.197 20 0 FIADMP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000588178126 1114549586 /nfs/dbraw/zinc/54/95/86/1114549586.db2.gz NXAOYWJWPUEOAL-UMSHPIDHSA-N 2 1 350.506 4.100 20 0 FIADMP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000588178126 1114549589 /nfs/dbraw/zinc/54/95/89/1114549589.db2.gz NXAOYWJWPUEOAL-UMSHPIDHSA-N 2 1 350.506 4.100 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000588258787 1114566362 /nfs/dbraw/zinc/56/63/62/1114566362.db2.gz BQRAKJWZDTUCQQ-UHFFFAOYSA-N 2 1 354.922 4.103 20 0 FIADMP CC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999352 1114873080 /nfs/dbraw/zinc/87/30/80/1114873080.db2.gz BEJCNWDHYJGMKU-UHFFFAOYSA-N 2 1 373.928 4.252 20 0 FIADMP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786825 1114974409 /nfs/dbraw/zinc/97/44/09/1114974409.db2.gz NZXAPCYYLLWVOK-KNQAVFIVSA-N 2 1 373.585 4.085 20 0 FIADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C1CCCCC1 ZINC000593720229 1115340112 /nfs/dbraw/zinc/34/01/12/1115340112.db2.gz QMKDFMVHJIEUKS-BXKMTCNYSA-N 2 1 350.572 4.119 20 0 FIADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C1CCCCC1 ZINC000593720229 1115340115 /nfs/dbraw/zinc/34/01/15/1115340115.db2.gz QMKDFMVHJIEUKS-BXKMTCNYSA-N 2 1 350.572 4.119 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593689355 1115342105 /nfs/dbraw/zinc/34/21/05/1115342105.db2.gz HVKNVIYGIWOJJL-VQTJNVASSA-N 2 1 358.526 4.019 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000594602282 1115463225 /nfs/dbraw/zinc/46/32/25/1115463225.db2.gz WVOMYMBUMFVBRO-MRXNPFEDSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c(C)o1 ZINC000594602282 1115463227 /nfs/dbraw/zinc/46/32/27/1115463227.db2.gz WVOMYMBUMFVBRO-MRXNPFEDSA-N 2 1 370.493 4.039 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C[C@H](C)O1 ZINC000575110138 1115546056 /nfs/dbraw/zinc/54/60/56/1115546056.db2.gz RETBSCKXQAFOQG-LLGFUMIMSA-N 2 1 364.961 4.140 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C[C@H](C)O1 ZINC000575110137 1115546373 /nfs/dbraw/zinc/54/63/73/1115546373.db2.gz RETBSCKXQAFOQG-FVJLSDCUSA-N 2 1 364.961 4.140 20 0 FIADMP Oc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000607151094 1116003481 /nfs/dbraw/zinc/00/34/81/1116003481.db2.gz WRPCOOIFTQVOEI-ZRZAMGCNSA-N 2 1 366.505 4.462 20 0 FIADMP Oc1ccc([C@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000607151094 1116003483 /nfs/dbraw/zinc/00/34/83/1116003483.db2.gz WRPCOOIFTQVOEI-ZRZAMGCNSA-N 2 1 366.505 4.462 20 0 FIADMP Oc1ccc([C@H]2CCC[NH+]2CCC[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000607151094 1116003486 /nfs/dbraw/zinc/00/34/86/1116003486.db2.gz WRPCOOIFTQVOEI-ZRZAMGCNSA-N 2 1 366.505 4.462 20 0 FIADMP Clc1cccc(Oc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1Cl ZINC000607753503 1116060233 /nfs/dbraw/zinc/06/02/33/1116060233.db2.gz ZDEVQPSRDFHMTL-GASCZTMLSA-N 2 1 363.288 4.437 20 0 FIADMP Clc1cccc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1Cl ZINC000607753503 1116060235 /nfs/dbraw/zinc/06/02/35/1116060235.db2.gz ZDEVQPSRDFHMTL-GASCZTMLSA-N 2 1 363.288 4.437 20 0 FIADMP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000534452298 1116200292 /nfs/dbraw/zinc/20/02/92/1116200292.db2.gz JKUFZCPOBWGPKI-DWXRJYCRSA-N 2 1 372.578 4.233 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000534496857 1116207727 /nfs/dbraw/zinc/20/77/27/1116207727.db2.gz INEFGZPHGHHSRU-AVRDEDQJSA-N 2 1 370.562 4.086 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000534496857 1116207728 /nfs/dbraw/zinc/20/77/28/1116207728.db2.gz INEFGZPHGHHSRU-AVRDEDQJSA-N 2 1 370.562 4.086 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793793 1116237373 /nfs/dbraw/zinc/23/73/73/1116237373.db2.gz PRHPDXBFRUDQNU-MEDUHNTESA-N 2 1 357.723 4.021 20 0 FIADMP Cc1ccc2nc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cn2c1 ZINC000534965084 1116256094 /nfs/dbraw/zinc/25/60/94/1116256094.db2.gz KZTJXPCJOVHVPH-UHFFFAOYSA-N 2 1 374.532 4.131 20 0 FIADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000535405766 1116303129 /nfs/dbraw/zinc/30/31/29/1116303129.db2.gz JCUJGFHWQSKASM-KRWDZBQOSA-N 2 1 370.459 4.028 20 0 FIADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000535405766 1116303130 /nfs/dbraw/zinc/30/31/30/1116303130.db2.gz JCUJGFHWQSKASM-KRWDZBQOSA-N 2 1 370.459 4.028 20 0 FIADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3cc(C)cc(C)c3)cc2)CC1 ZINC000462372118 1116339856 /nfs/dbraw/zinc/33/98/56/1116339856.db2.gz XINBKABQBURFIA-UHFFFAOYSA-N 2 1 352.522 4.171 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000462690329 1116391300 /nfs/dbraw/zinc/39/13/00/1116391300.db2.gz ZHGHTSLWCCKMPH-HZPDHXFCSA-N 2 1 358.448 4.085 20 0 FIADMP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000539895231 1117739090 /nfs/dbraw/zinc/73/90/90/1117739090.db2.gz AJLGOOCYDNTMRS-OEMFJLHTSA-N 2 1 364.533 4.346 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895310 1117739125 /nfs/dbraw/zinc/73/91/25/1117739125.db2.gz VCIHQKKUWRJLFE-VMRPVKRXSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895310 1117739127 /nfs/dbraw/zinc/73/91/27/1117739127.db2.gz VCIHQKKUWRJLFE-VMRPVKRXSA-N 2 1 374.912 4.284 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462804157 1117786118 /nfs/dbraw/zinc/78/61/18/1117786118.db2.gz CVGQDNJELSZTOW-VVMVDLBUSA-N 2 1 351.332 4.013 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462818962 1117794783 /nfs/dbraw/zinc/79/47/83/1117794783.db2.gz RMPPWPGAZDHQSQ-KGLIPLIRSA-N 2 1 358.486 4.441 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)CC2)cc1 ZINC000540137209 1117901104 /nfs/dbraw/zinc/90/11/04/1117901104.db2.gz OLEKQJFFQDZWJX-UPVQGACJSA-N 2 1 364.533 4.061 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@H](C)C1 ZINC000540159629 1117903903 /nfs/dbraw/zinc/90/39/03/1117903903.db2.gz BFEDEZYJKKXGHY-IRLDBZIGSA-N 2 1 358.570 4.126 20 0 FIADMP COc1ccc2cc([C@@H](C)[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000540171552 1117912679 /nfs/dbraw/zinc/91/26/79/1117912679.db2.gz RJOFTMNOKVAVGV-CEXWTWQISA-N 2 1 370.537 4.388 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000540170500 1117912850 /nfs/dbraw/zinc/91/28/50/1117912850.db2.gz ITRZJMXBZFVSLQ-XHSDSOJGSA-N 2 1 358.448 4.245 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000540171648 1117913585 /nfs/dbraw/zinc/91/35/85/1117913585.db2.gz UOGGBEZLSQYOSU-JTDSTZFVSA-N 2 1 366.933 4.033 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CCc2nc3ccccc3n2C)CC1)CC(C)C ZINC000540197360 1117938834 /nfs/dbraw/zinc/93/88/34/1117938834.db2.gz MANUXNFDMUXQNY-UHFFFAOYSA-N 2 1 370.585 4.196 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1 ZINC000540262370 1117962978 /nfs/dbraw/zinc/96/29/78/1117962978.db2.gz KAHSHLYBPHXVAN-YYDVJCTNSA-N 2 1 367.537 4.178 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000540262758 1117963150 /nfs/dbraw/zinc/96/31/50/1117963150.db2.gz HTPBALLKZWMMTA-DEOSSOPVSA-N 2 1 363.549 4.065 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463083089 1117964972 /nfs/dbraw/zinc/96/49/72/1117964972.db2.gz FDUHECRZZASIRX-KNQAVFIVSA-N 2 1 366.553 4.071 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463083089 1117964975 /nfs/dbraw/zinc/96/49/75/1117964975.db2.gz FDUHECRZZASIRX-KNQAVFIVSA-N 2 1 366.553 4.071 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1Cc1ccccc1 ZINC000463106905 1117967223 /nfs/dbraw/zinc/96/72/23/1117967223.db2.gz BRNONAJCSCEKSD-AVRDEDQJSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000463106905 1117967225 /nfs/dbraw/zinc/96/72/25/1117967225.db2.gz BRNONAJCSCEKSD-AVRDEDQJSA-N 2 1 365.521 4.013 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000463106905 1117967228 /nfs/dbraw/zinc/96/72/28/1117967228.db2.gz BRNONAJCSCEKSD-AVRDEDQJSA-N 2 1 365.521 4.013 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C2CC2)cc1 ZINC000540302126 1117976094 /nfs/dbraw/zinc/97/60/94/1117976094.db2.gz QMPVIDGCHGEKDG-YADARESESA-N 2 1 364.533 4.457 20 0 FIADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C2CC2)cc1 ZINC000540302126 1117976096 /nfs/dbraw/zinc/97/60/96/1117976096.db2.gz QMPVIDGCHGEKDG-YADARESESA-N 2 1 364.533 4.457 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000463144968 1117982506 /nfs/dbraw/zinc/98/25/06/1117982506.db2.gz LMVLZUOFOYVBTG-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000463144968 1117982507 /nfs/dbraw/zinc/98/25/07/1117982507.db2.gz LMVLZUOFOYVBTG-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP Cc1ccc(OCCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463133308 1117984209 /nfs/dbraw/zinc/98/42/09/1117984209.db2.gz SWEJIHOQMFRUPP-UHFFFAOYSA-N 2 1 366.549 4.451 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136515 1117984768 /nfs/dbraw/zinc/98/47/68/1117984768.db2.gz KKLSOFYAZZKSBP-HYVLGVRCSA-N 2 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136515 1117984771 /nfs/dbraw/zinc/98/47/71/1117984771.db2.gz KKLSOFYAZZKSBP-HYVLGVRCSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136515 1117984773 /nfs/dbraw/zinc/98/47/73/1117984773.db2.gz KKLSOFYAZZKSBP-HYVLGVRCSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136515 1117984776 /nfs/dbraw/zinc/98/47/76/1117984776.db2.gz KKLSOFYAZZKSBP-HYVLGVRCSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463136515 1117984779 /nfs/dbraw/zinc/98/47/79/1117984779.db2.gz KKLSOFYAZZKSBP-HYVLGVRCSA-N 3 1 371.613 4.387 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463139615 1117986706 /nfs/dbraw/zinc/98/67/06/1117986706.db2.gz SOQIYEACZBZENG-OFNKIYASSA-N 2 1 374.532 4.058 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463139615 1117986708 /nfs/dbraw/zinc/98/67/08/1117986708.db2.gz SOQIYEACZBZENG-OFNKIYASSA-N 2 1 374.532 4.058 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463148982 1117991980 /nfs/dbraw/zinc/99/19/80/1117991980.db2.gz UAHASDZGZFBISH-YMPZKCBVSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463148982 1117991981 /nfs/dbraw/zinc/99/19/81/1117991981.db2.gz UAHASDZGZFBISH-YMPZKCBVSA-N 2 1 363.549 4.156 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147899 1117992171 /nfs/dbraw/zinc/99/21/71/1117992171.db2.gz REZNAWDKNMGREZ-WMZHIEFXSA-N 2 1 352.522 4.366 20 0 FIADMP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147899 1117992174 /nfs/dbraw/zinc/99/21/74/1117992174.db2.gz REZNAWDKNMGREZ-WMZHIEFXSA-N 2 1 352.522 4.366 20 0 FIADMP C[C@H](OCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000463150314 1117992466 /nfs/dbraw/zinc/99/24/66/1117992466.db2.gz XFWZKNVSLGCNIM-NRFANRHFSA-N 2 1 366.549 4.451 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000463150703 1117993141 /nfs/dbraw/zinc/99/31/41/1117993141.db2.gz XMIREHFMXWXMTB-ROUUACIJSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000463150703 1117993143 /nfs/dbraw/zinc/99/31/43/1117993143.db2.gz XMIREHFMXWXMTB-ROUUACIJSA-N 2 1 363.977 4.157 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188880 1118007156 /nfs/dbraw/zinc/00/71/56/1118007156.db2.gz FKRDNPSABDVSFQ-NZQKXSOJSA-N 2 1 374.532 4.323 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188880 1118007158 /nfs/dbraw/zinc/00/71/58/1118007158.db2.gz FKRDNPSABDVSFQ-NZQKXSOJSA-N 2 1 374.532 4.323 20 0 FIADMP COC1CCC(C)(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000463250946 1118061144 /nfs/dbraw/zinc/06/11/44/1118061144.db2.gz QQZHIVYLGMMQRS-UHFFFAOYSA-N 2 1 362.533 4.018 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]C3CC(OCc4ccccc4)C3)CC2)cc1 ZINC000463278420 1118065546 /nfs/dbraw/zinc/06/55/46/1118065546.db2.gz BVYQFXFILLDAHO-UHFFFAOYSA-N 2 1 364.533 4.031 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463279884 1118067749 /nfs/dbraw/zinc/06/77/49/1118067749.db2.gz KIIMKFKCLGHTJJ-JFTIXFDTSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279884 1118067752 /nfs/dbraw/zinc/06/77/52/1118067752.db2.gz KIIMKFKCLGHTJJ-JFTIXFDTSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000463279884 1118067755 /nfs/dbraw/zinc/06/77/55/1118067755.db2.gz KIIMKFKCLGHTJJ-JFTIXFDTSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCNc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463291783 1118076218 /nfs/dbraw/zinc/07/62/18/1118076218.db2.gz YCWPXVFHIUODSD-QUCCMNQESA-N 2 1 355.501 4.270 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCNc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463291783 1118076222 /nfs/dbraw/zinc/07/62/22/1118076222.db2.gz YCWPXVFHIUODSD-QUCCMNQESA-N 2 1 355.501 4.270 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463288281 1118084674 /nfs/dbraw/zinc/08/46/74/1118084674.db2.gz ZZCLWWUFOSUNBD-PGRDOPGGSA-N 2 1 355.501 4.270 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463288281 1118084678 /nfs/dbraw/zinc/08/46/78/1118084678.db2.gz ZZCLWWUFOSUNBD-PGRDOPGGSA-N 2 1 355.501 4.270 20 0 FIADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000540507131 1118098019 /nfs/dbraw/zinc/09/80/19/1118098019.db2.gz UHVFSBCAUSUDOD-UHFFFAOYSA-N 2 1 359.739 4.266 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540992649 1118342269 /nfs/dbraw/zinc/34/22/69/1118342269.db2.gz YIULYTOEUVHGRV-FXAWDEMLSA-N 2 1 370.562 4.216 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000541558832 1118554718 /nfs/dbraw/zinc/55/47/18/1118554718.db2.gz UDCFOWWMQISFTI-WIYYLYMNSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000541558832 1118554719 /nfs/dbraw/zinc/55/47/19/1118554719.db2.gz UDCFOWWMQISFTI-WIYYLYMNSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000541553070 1118560758 /nfs/dbraw/zinc/56/07/58/1118560758.db2.gz YYBBRSBEUMSZCP-JBYIUTFZSA-N 2 1 370.516 4.053 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000541909465 1118697462 /nfs/dbraw/zinc/69/74/62/1118697462.db2.gz LJBUFCSSRJPLMD-CQSZACIVSA-N 2 1 363.299 4.093 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000541909465 1118697464 /nfs/dbraw/zinc/69/74/64/1118697464.db2.gz LJBUFCSSRJPLMD-CQSZACIVSA-N 2 1 363.299 4.093 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791400 1118699578 /nfs/dbraw/zinc/69/95/78/1118699578.db2.gz SSEHWKSZHYYQHN-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791400 1118699584 /nfs/dbraw/zinc/69/95/84/1118699584.db2.gz SSEHWKSZHYYQHN-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791400 1118699588 /nfs/dbraw/zinc/69/95/88/1118699588.db2.gz SSEHWKSZHYYQHN-INIZCTEOSA-N 2 1 358.448 4.138 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916187 1118706932 /nfs/dbraw/zinc/70/69/32/1118706932.db2.gz FDZPVNSOZPVQGH-PBHICJAKSA-N 2 1 360.489 4.431 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916187 1118706936 /nfs/dbraw/zinc/70/69/36/1118706936.db2.gz FDZPVNSOZPVQGH-PBHICJAKSA-N 2 1 360.489 4.431 20 0 FIADMP CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541916100 1118706999 /nfs/dbraw/zinc/70/69/99/1118706999.db2.gz AKVPBNAXBWKNDX-RPWUZVMVSA-N 2 1 366.549 4.000 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916290 1118707010 /nfs/dbraw/zinc/70/70/10/1118707010.db2.gz FDZPVNSOZPVQGH-YOEHRIQHSA-N 2 1 360.489 4.431 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000541916290 1118707011 /nfs/dbraw/zinc/70/70/11/1118707011.db2.gz FDZPVNSOZPVQGH-YOEHRIQHSA-N 2 1 360.489 4.431 20 0 FIADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCC(F)(F)C3)sc2C1 ZINC000491581199 1118964232 /nfs/dbraw/zinc/96/42/32/1118964232.db2.gz KBYLGMMLQQVRPN-CQSZACIVSA-N 2 1 357.514 4.215 20 0 FIADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCC(F)(F)C3)sc2C1 ZINC000491581199 1118964234 /nfs/dbraw/zinc/96/42/34/1118964234.db2.gz KBYLGMMLQQVRPN-CQSZACIVSA-N 2 1 357.514 4.215 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(Br)c3)CC2)[nH+]1 ZINC000173423807 1119039589 /nfs/dbraw/zinc/03/95/89/1119039589.db2.gz UUOMZMFXTSKXLC-OAHLLOKOSA-N 2 1 374.326 4.472 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000492251449 1119057893 /nfs/dbraw/zinc/05/78/93/1119057893.db2.gz HVSLCUCRPCWUDC-FGZHOGPDSA-N 2 1 372.940 4.256 20 0 FIADMP C[C@H]([NH2+]CCCCOc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492404600 1119087808 /nfs/dbraw/zinc/08/78/08/1119087808.db2.gz ZNKKENJBTDWIKQ-UNMCSNQZSA-N 2 1 352.522 4.346 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000542465097 1119287763 /nfs/dbraw/zinc/28/77/63/1119287763.db2.gz SRAQIXGOTTZZLL-YCRPNKLZSA-N 2 1 350.441 4.298 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1)CC1CC1 ZINC000542464791 1119326367 /nfs/dbraw/zinc/32/63/67/1119326367.db2.gz JYIRYKJEVQZNQY-UHFFFAOYSA-N 2 1 372.582 4.268 20 0 FIADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000178258180 1119380693 /nfs/dbraw/zinc/38/06/93/1119380693.db2.gz HEGWLGQUBLKLAG-GOSISDBHSA-N 2 1 354.416 4.037 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771339 1119389183 /nfs/dbraw/zinc/38/91/83/1119389183.db2.gz GOFACDYYTCHQQF-XTQVGHSUSA-N 2 1 350.506 4.183 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311859760 1119392646 /nfs/dbraw/zinc/39/26/46/1119392646.db2.gz UXICNPXCASZHOC-NNMXDRDESA-N 2 1 352.522 4.126 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467042 1119453433 /nfs/dbraw/zinc/45/34/33/1119453433.db2.gz SEVAQVUPWOIVPG-LJQANCHMSA-N 2 1 354.494 4.261 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467042 1119453436 /nfs/dbraw/zinc/45/34/36/1119453436.db2.gz SEVAQVUPWOIVPG-LJQANCHMSA-N 2 1 354.494 4.261 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467042 1119453441 /nfs/dbraw/zinc/45/34/41/1119453441.db2.gz SEVAQVUPWOIVPG-LJQANCHMSA-N 2 1 354.494 4.261 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000542467042 1119453448 /nfs/dbraw/zinc/45/34/48/1119453448.db2.gz SEVAQVUPWOIVPG-LJQANCHMSA-N 2 1 354.494 4.261 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050725 1119530365 /nfs/dbraw/zinc/53/03/65/1119530365.db2.gz RMUAMOOMDAGPMU-SJLPKXTDSA-N 2 1 372.475 4.351 20 0 FIADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494050725 1119530370 /nfs/dbraw/zinc/53/03/70/1119530370.db2.gz RMUAMOOMDAGPMU-SJLPKXTDSA-N 2 1 372.475 4.351 20 0 FIADMP CCSc1cccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000185531249 1119669583 /nfs/dbraw/zinc/66/95/83/1119669583.db2.gz RQMPXYWTXMRZDE-UHFFFAOYSA-N 2 1 373.566 4.405 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000186283502 1119718625 /nfs/dbraw/zinc/71/86/25/1119718625.db2.gz WEGMYFODEBMBJZ-JTHBVZDNSA-N 2 1 364.533 4.037 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CCSCC3)CC2)cs1 ZINC000187193875 1119772478 /nfs/dbraw/zinc/77/24/78/1119772478.db2.gz AIPLXOHSWSGBAI-OAHLLOKOSA-N 2 1 367.628 4.039 20 0 FIADMP Cc1nc2ccc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cc2s1 ZINC000494339555 1119828236 /nfs/dbraw/zinc/82/82/36/1119828236.db2.gz FSSCOZFYUODYEY-UHFFFAOYSA-N 2 1 351.519 4.143 20 0 FIADMP Cc1nc2ccc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cc2s1 ZINC000494339555 1119828244 /nfs/dbraw/zinc/82/82/44/1119828244.db2.gz FSSCOZFYUODYEY-UHFFFAOYSA-N 2 1 351.519 4.143 20 0 FIADMP CC1(C)CC([NH2+]Cc2ccccc2OCc2ccncc2)CC(C)(C)[NH2+]1 ZINC000494573606 1119908205 /nfs/dbraw/zinc/90/82/05/1119908205.db2.gz GJKUYDGVZBLXDU-UHFFFAOYSA-N 2 1 353.510 4.059 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000190770946 1119948391 /nfs/dbraw/zinc/94/83/91/1119948391.db2.gz DOERPFFXKBJUNF-IBGZPJMESA-N 2 1 366.553 4.059 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1F ZINC000190870169 1119951596 /nfs/dbraw/zinc/95/15/96/1119951596.db2.gz OCCICVSDSXEGSK-UHFFFAOYSA-N 2 1 365.452 4.398 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245791 1119967215 /nfs/dbraw/zinc/96/72/15/1119967215.db2.gz ISVOXCNWACCMSO-SJLPKXTDSA-N 2 1 360.571 4.397 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cnn1C(C)C ZINC000191245791 1119967217 /nfs/dbraw/zinc/96/72/17/1119967217.db2.gz ISVOXCNWACCMSO-SJLPKXTDSA-N 2 1 360.571 4.397 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261950 1119968280 /nfs/dbraw/zinc/96/82/80/1119968280.db2.gz VOBBYGCCYDGXGK-RXVVDRJESA-N 2 1 368.569 4.162 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261950 1119968282 /nfs/dbraw/zinc/96/82/82/1119968282.db2.gz VOBBYGCCYDGXGK-RXVVDRJESA-N 2 1 368.569 4.162 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C[N@H+]1Cc1ccccc1 ZINC000494612396 1119996166 /nfs/dbraw/zinc/99/61/66/1119996166.db2.gz NCIDTDILVVJBHU-OOWPADAASA-N 2 1 368.565 4.224 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)s2)c1 ZINC000193083276 1120099043 /nfs/dbraw/zinc/09/90/43/1120099043.db2.gz KDEFKBZBPUYAJK-SFHVURJKSA-N 2 1 367.518 4.057 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)s2)c1 ZINC000193083276 1120099048 /nfs/dbraw/zinc/09/90/48/1120099048.db2.gz KDEFKBZBPUYAJK-SFHVURJKSA-N 2 1 367.518 4.057 20 0 FIADMP C[N@@H+](CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882553 1120356067 /nfs/dbraw/zinc/35/60/67/1120356067.db2.gz ZVHNQTKTABTBJB-NZQKXSOJSA-N 2 1 370.512 4.405 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000495261132 1120595559 /nfs/dbraw/zinc/59/55/59/1120595559.db2.gz UTUTXEBEDHZOEY-UWJYYQICSA-N 2 1 355.913 4.093 20 0 FIADMP COC[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000670160977 1120763479 /nfs/dbraw/zinc/76/34/79/1120763479.db2.gz ITWZZECWBUEZBN-KEAPPQJHSA-N 2 1 362.945 4.269 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381317 1120767626 /nfs/dbraw/zinc/76/76/26/1120767626.db2.gz XZPRNXDFNDNJOK-PERKRYKHSA-N 2 1 374.475 4.153 20 0 FIADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000495381317 1120767632 /nfs/dbraw/zinc/76/76/32/1120767632.db2.gz XZPRNXDFNDNJOK-PERKRYKHSA-N 2 1 374.475 4.153 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3c(cccc3F)n2CC)CC1 ZINC000303518125 1120767954 /nfs/dbraw/zinc/76/79/54/1120767954.db2.gz COCZLODIVGLRLZ-UHFFFAOYSA-N 2 1 360.521 4.139 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3c(cccc3F)n2CC)CC1 ZINC000303518125 1120767957 /nfs/dbraw/zinc/76/79/57/1120767957.db2.gz COCZLODIVGLRLZ-UHFFFAOYSA-N 2 1 360.521 4.139 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CCN1Cc1ccccc1 ZINC000495392366 1120770755 /nfs/dbraw/zinc/77/07/55/1120770755.db2.gz YIPIZRCFKPPTBL-NQIIRXRSSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000495392366 1120770759 /nfs/dbraw/zinc/77/07/59/1120770759.db2.gz YIPIZRCFKPPTBL-NQIIRXRSSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000495392366 1120770764 /nfs/dbraw/zinc/77/07/64/1120770764.db2.gz YIPIZRCFKPPTBL-NQIIRXRSSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410136 1120787558 /nfs/dbraw/zinc/78/75/58/1120787558.db2.gz TYPRIYGSCDIKHJ-IFMALSPDSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410136 1120787569 /nfs/dbraw/zinc/78/75/69/1120787569.db2.gz TYPRIYGSCDIKHJ-IFMALSPDSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410136 1120787576 /nfs/dbraw/zinc/78/75/76/1120787576.db2.gz TYPRIYGSCDIKHJ-IFMALSPDSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425509 1120801041 /nfs/dbraw/zinc/80/10/41/1120801041.db2.gz BYNZUPASDYSXIL-WIYYLYMNSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425509 1120801050 /nfs/dbraw/zinc/80/10/50/1120801050.db2.gz BYNZUPASDYSXIL-WIYYLYMNSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001168488681 1120859080 /nfs/dbraw/zinc/85/90/80/1120859080.db2.gz SAMXSECKSBYZPL-SFHVURJKSA-N 2 1 356.485 4.338 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236829385 1120970419 /nfs/dbraw/zinc/97/04/19/1120970419.db2.gz QMSRLUGLEJWXBM-UXHICEINSA-N 2 1 368.525 4.291 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000237416519 1120977375 /nfs/dbraw/zinc/97/73/75/1120977375.db2.gz SIAJOPRRHKMDGW-KRWDZBQOSA-N 2 1 367.468 4.336 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998019 1121331689 /nfs/dbraw/zinc/33/16/89/1121331689.db2.gz UKFHSTLNTUHOGH-APWZRJJASA-N 2 1 360.448 4.288 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000397998019 1121331695 /nfs/dbraw/zinc/33/16/95/1121331695.db2.gz UKFHSTLNTUHOGH-APWZRJJASA-N 2 1 360.448 4.288 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000398068142 1121341043 /nfs/dbraw/zinc/34/10/43/1121341043.db2.gz YIGDMANXNXNQQF-SPEDKVCISA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000398068142 1121341055 /nfs/dbraw/zinc/34/10/55/1121341055.db2.gz YIGDMANXNXNQQF-SPEDKVCISA-N 2 1 368.521 4.265 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000763416495 1121585273 /nfs/dbraw/zinc/58/52/73/1121585273.db2.gz VAKJSOMTXZFVEU-JYBIWHBTSA-N 2 1 358.551 4.060 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000763416495 1121585280 /nfs/dbraw/zinc/58/52/80/1121585280.db2.gz VAKJSOMTXZFVEU-JYBIWHBTSA-N 2 1 358.551 4.060 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671741583 1121638786 /nfs/dbraw/zinc/63/87/86/1121638786.db2.gz IBOCSNQJNCMXKA-MRXNPFEDSA-N 2 1 365.477 4.157 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744582 1121649585 /nfs/dbraw/zinc/64/95/85/1121649585.db2.gz NMBVCNQCXCYIOX-AEFFLSMTSA-N 2 1 365.477 4.096 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000124642758 1121710418 /nfs/dbraw/zinc/71/04/18/1121710418.db2.gz KKBKRAMKAHPFGL-OTWHNJEPSA-N 2 1 368.521 4.155 20 0 FIADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000063917477 1121727442 /nfs/dbraw/zinc/72/74/42/1121727442.db2.gz ISAFDRUZOVYXID-QGZVFWFLSA-N 2 1 373.928 4.136 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000063917477 1121727452 /nfs/dbraw/zinc/72/74/52/1121727452.db2.gz ISAFDRUZOVYXID-QGZVFWFLSA-N 2 1 373.928 4.136 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000124951280 1121734363 /nfs/dbraw/zinc/73/43/63/1121734363.db2.gz HOFSPWZXGUEVRL-UHFFFAOYSA-N 2 1 369.509 4.237 20 0 FIADMP Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000671754084 1121753871 /nfs/dbraw/zinc/75/38/71/1121753871.db2.gz QLGLYCARKRWYNY-WXFUMESZSA-N 2 1 363.549 4.213 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000125376125 1121773538 /nfs/dbraw/zinc/77/35/38/1121773538.db2.gz QAHYTSNZBSHVFY-MRXNPFEDSA-N 2 1 371.352 4.459 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000671761459 1121790120 /nfs/dbraw/zinc/79/01/20/1121790120.db2.gz VDZKCPJRRYHFBK-GPJHCHHRSA-N 2 1 368.565 4.084 20 0 FIADMP CCc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3CCN(CC)CC3)o2)cc1 ZINC000072921917 1121909648 /nfs/dbraw/zinc/90/96/48/1121909648.db2.gz BLZGPHXCBVYDBI-UHFFFAOYSA-N 2 1 369.553 4.016 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008899 1121997262 /nfs/dbraw/zinc/99/72/62/1121997262.db2.gz USPYFVWZCSGBGR-IIBYNOLFSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837333 1122015168 /nfs/dbraw/zinc/01/51/68/1122015168.db2.gz CRFSNDLUTXDSDK-DLBZAZTESA-N 2 1 372.534 4.082 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837333 1122015176 /nfs/dbraw/zinc/01/51/76/1122015176.db2.gz CRFSNDLUTXDSDK-DLBZAZTESA-N 2 1 372.534 4.082 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([N@H+](Cc3ccccc3)C[C@@H](C)C[NH3+])CCO2)cc1 ZINC001168615491 1122069095 /nfs/dbraw/zinc/06/90/95/1122069095.db2.gz OFDINLDFYPIIFB-HARLFGEKSA-N 2 1 368.521 4.012 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672367 1122078530 /nfs/dbraw/zinc/07/85/30/1122078530.db2.gz ZLBPHKBDLWLFOF-DYESRHJHSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672367 1122078536 /nfs/dbraw/zinc/07/85/36/1122078536.db2.gz ZLBPHKBDLWLFOF-DYESRHJHSA-N 2 1 374.960 4.407 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000542672367 1122078544 /nfs/dbraw/zinc/07/85/44/1122078544.db2.gz ZLBPHKBDLWLFOF-DYESRHJHSA-N 2 1 374.960 4.407 20 0 FIADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c2C1 ZINC000066760911 1122092620 /nfs/dbraw/zinc/09/26/20/1122092620.db2.gz FNNVSCBRQNBARU-UHFFFAOYSA-N 2 1 363.505 4.260 20 0 FIADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c2C1 ZINC000066760911 1122092627 /nfs/dbraw/zinc/09/26/27/1122092627.db2.gz FNNVSCBRQNBARU-UHFFFAOYSA-N 2 1 363.505 4.260 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000128172808 1122200627 /nfs/dbraw/zinc/20/06/27/1122200627.db2.gz OMAMKKFHCVVSEY-UHFFFAOYSA-N 2 1 366.484 4.251 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000128172808 1122200639 /nfs/dbraw/zinc/20/06/39/1122200639.db2.gz OMAMKKFHCVVSEY-UHFFFAOYSA-N 2 1 366.484 4.251 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(OC(C)C)cc3)CC2)[nH+]1 ZINC000128191844 1122203001 /nfs/dbraw/zinc/20/30/01/1122203001.db2.gz IOSVQFLRMMFUDR-GOSISDBHSA-N 2 1 353.510 4.497 20 0 FIADMP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542693571 1122289044 /nfs/dbraw/zinc/28/90/44/1122289044.db2.gz JVPIFISCNOFNHN-ZGYCNENWSA-N 2 1 356.460 4.478 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000129213171 1122556009 /nfs/dbraw/zinc/55/60/09/1122556009.db2.gz IZHBNHSTKIIVDV-LJQANCHMSA-N 2 1 358.917 4.180 20 0 FIADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000129213171 1122556014 /nfs/dbraw/zinc/55/60/14/1122556014.db2.gz IZHBNHSTKIIVDV-LJQANCHMSA-N 2 1 358.917 4.180 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cccn3)c2)cc1 ZINC000129440540 1122601859 /nfs/dbraw/zinc/60/18/59/1122601859.db2.gz MTUGTWLKAGXJDL-SFHVURJKSA-N 2 1 371.488 4.276 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556060371 1122632443 /nfs/dbraw/zinc/63/24/43/1122632443.db2.gz FSNZSPYATFEQMA-RPWUZVMVSA-N 2 1 366.549 4.451 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000556060371 1122632448 /nfs/dbraw/zinc/63/24/48/1122632448.db2.gz FSNZSPYATFEQMA-RPWUZVMVSA-N 2 1 366.549 4.451 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556075626 1122639162 /nfs/dbraw/zinc/63/91/62/1122639162.db2.gz DCMAXIDPYWUDMO-UXHICEINSA-N 2 1 366.505 4.118 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000556075626 1122639163 /nfs/dbraw/zinc/63/91/63/1122639163.db2.gz DCMAXIDPYWUDMO-UXHICEINSA-N 2 1 366.505 4.118 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094866 1122648224 /nfs/dbraw/zinc/64/82/24/1122648224.db2.gz ZGQPJHHNVKJTNG-QTGUNEKASA-N 2 1 360.505 4.358 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(-n2ccnc2)c1 ZINC000556094866 1122648226 /nfs/dbraw/zinc/64/82/26/1122648226.db2.gz ZGQPJHHNVKJTNG-QTGUNEKASA-N 2 1 360.505 4.358 20 0 FIADMP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129872427 1122706037 /nfs/dbraw/zinc/70/60/37/1122706037.db2.gz FEDBLYWWWRSYLK-QFIPXVFZSA-N 2 1 366.553 4.352 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000556194984 1122726613 /nfs/dbraw/zinc/72/66/13/1122726613.db2.gz KKPWYXRRCUFTOH-ODAXIHTASA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000556194984 1122726618 /nfs/dbraw/zinc/72/66/18/1122726618.db2.gz KKPWYXRRCUFTOH-ODAXIHTASA-N 2 1 350.506 4.332 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233982 1122750854 /nfs/dbraw/zinc/75/08/54/1122750854.db2.gz UJYVMEQNCIFCKZ-KNQAVFIVSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236159 1122752298 /nfs/dbraw/zinc/75/22/98/1122752298.db2.gz ONWQEHOPELPTHD-YEWWUXTCSA-N 2 1 366.431 4.162 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236159 1122752301 /nfs/dbraw/zinc/75/23/01/1122752301.db2.gz ONWQEHOPELPTHD-YEWWUXTCSA-N 2 1 366.431 4.162 20 0 FIADMP COc1ccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000556236613 1122753820 /nfs/dbraw/zinc/75/38/20/1122753820.db2.gz UMLWPJYZVVJNBK-UHFFFAOYSA-N 2 1 370.512 4.410 20 0 FIADMP Cc1ccc2nc(CNCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)cn2c1 ZINC000556405409 1122867906 /nfs/dbraw/zinc/86/79/06/1122867906.db2.gz YLKXZAMQMSLKSU-SFHVURJKSA-N 2 1 362.521 4.164 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H](C)C3)cn2c1 ZINC000556405409 1122867907 /nfs/dbraw/zinc/86/79/07/1122867907.db2.gz YLKXZAMQMSLKSU-SFHVURJKSA-N 2 1 362.521 4.164 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H](C)C3)cn2c1 ZINC000556405409 1122867914 /nfs/dbraw/zinc/86/79/14/1122867914.db2.gz YLKXZAMQMSLKSU-SFHVURJKSA-N 2 1 362.521 4.164 20 0 FIADMP Fc1ccc(C2=CC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000498778604 1123006161 /nfs/dbraw/zinc/00/61/61/1123006161.db2.gz ALTYJKCPKZYXGR-QFIPXVFZSA-N 2 1 372.528 4.386 20 0 FIADMP CC(C)(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2ccccc2o1 ZINC000498942656 1123093873 /nfs/dbraw/zinc/09/38/73/1123093873.db2.gz MWIDGRKIZOCQBH-GHTZIAJQSA-N 2 1 358.526 4.347 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@H]2CCC[C@@H]21 ZINC000556869709 1123150542 /nfs/dbraw/zinc/15/05/42/1123150542.db2.gz ANBHXMBKESMCKQ-GIWBLDEGSA-N 2 1 374.532 4.047 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H]2CCC[C@@H]21 ZINC000556869908 1123153092 /nfs/dbraw/zinc/15/30/92/1123153092.db2.gz DAOWEFUOAKGFJA-RDGPPVDQSA-N 2 1 350.453 4.128 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(C)c1 ZINC000556873016 1123156915 /nfs/dbraw/zinc/15/69/15/1123156915.db2.gz UNJHWOBHRJLSMA-WMZHIEFXSA-N 2 1 352.522 4.457 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C)c1 ZINC000556873016 1123156919 /nfs/dbraw/zinc/15/69/19/1123156919.db2.gz UNJHWOBHRJLSMA-WMZHIEFXSA-N 2 1 352.522 4.457 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000556884298 1123160704 /nfs/dbraw/zinc/16/07/04/1123160704.db2.gz BEVFGOHELKVMON-HBMCJLEFSA-N 2 1 352.526 4.340 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000556884298 1123160709 /nfs/dbraw/zinc/16/07/09/1123160709.db2.gz BEVFGOHELKVMON-HBMCJLEFSA-N 2 1 352.526 4.340 20 0 FIADMP CCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000556884155 1123160953 /nfs/dbraw/zinc/16/09/53/1123160953.db2.gz NDKJHORGTWETGD-UHFFFAOYSA-N 2 1 366.553 4.008 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000515075758 1123207491 /nfs/dbraw/zinc/20/74/91/1123207491.db2.gz JVYBVUGBJKIVKF-AZUAARDMSA-N 2 1 360.448 4.256 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C[C@@H]1c1ccccc1 ZINC000515075758 1123207494 /nfs/dbraw/zinc/20/74/94/1123207494.db2.gz JVYBVUGBJKIVKF-AZUAARDMSA-N 2 1 360.448 4.256 20 0 FIADMP C[N@@H+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499141164 1123283000 /nfs/dbraw/zinc/28/30/00/1123283000.db2.gz ZIBUREWRPJOVML-UADZTWIMSA-N 2 1 355.570 4.036 20 0 FIADMP C[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499141164 1123283003 /nfs/dbraw/zinc/28/30/03/1123283003.db2.gz ZIBUREWRPJOVML-UADZTWIMSA-N 2 1 355.570 4.036 20 0 FIADMP C[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499141164 1123283007 /nfs/dbraw/zinc/28/30/07/1123283007.db2.gz ZIBUREWRPJOVML-UADZTWIMSA-N 2 1 355.570 4.036 20 0 FIADMP Brc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974783 1123287954 /nfs/dbraw/zinc/28/79/54/1123287954.db2.gz JYXZVPZVDVOWON-KXBFYZLASA-N 2 1 363.343 4.244 20 0 FIADMP Brc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974783 1123287959 /nfs/dbraw/zinc/28/79/59/1123287959.db2.gz JYXZVPZVDVOWON-KXBFYZLASA-N 2 1 363.343 4.244 20 0 FIADMP C[N@@H+](CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499149208 1123292854 /nfs/dbraw/zinc/29/28/54/1123292854.db2.gz SKCNAQVXQFEZOV-ULPXVVAUSA-N 2 1 369.597 4.426 20 0 FIADMP C[NH+](CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149208 1123292857 /nfs/dbraw/zinc/29/28/57/1123292857.db2.gz SKCNAQVXQFEZOV-ULPXVVAUSA-N 2 1 369.597 4.426 20 0 FIADMP C[NH+](CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149208 1123292859 /nfs/dbraw/zinc/29/28/59/1123292859.db2.gz SKCNAQVXQFEZOV-ULPXVVAUSA-N 2 1 369.597 4.426 20 0 FIADMP C[N@H+](CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499149208 1123292861 /nfs/dbraw/zinc/29/28/61/1123292861.db2.gz SKCNAQVXQFEZOV-ULPXVVAUSA-N 3 1 369.597 4.426 20 0 FIADMP C[N@@H+](CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000499149208 1123292863 /nfs/dbraw/zinc/29/28/63/1123292863.db2.gz SKCNAQVXQFEZOV-ULPXVVAUSA-N 3 1 369.597 4.426 20 0 FIADMP C[NH+](CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149208 1123292865 /nfs/dbraw/zinc/29/28/65/1123292865.db2.gz SKCNAQVXQFEZOV-ULPXVVAUSA-N 3 1 369.597 4.426 20 0 FIADMP C[NH+](CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000499149208 1123292867 /nfs/dbraw/zinc/29/28/67/1123292867.db2.gz SKCNAQVXQFEZOV-ULPXVVAUSA-N 3 1 369.597 4.426 20 0 FIADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499152531 1123294859 /nfs/dbraw/zinc/29/48/59/1123294859.db2.gz OWMDJYOIAWOYHL-MRWXXAKJSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H](COc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159599 1123299537 /nfs/dbraw/zinc/29/95/37/1123299537.db2.gz VRKNKJOJRZMVDW-MVWVFHAYSA-N 2 1 368.496 4.378 20 0 FIADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499173544 1123306233 /nfs/dbraw/zinc/30/62/33/1123306233.db2.gz WJEOSLZANXWEIT-XQUALCHDSA-N 2 1 364.533 4.068 20 0 FIADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499173544 1123306234 /nfs/dbraw/zinc/30/62/34/1123306234.db2.gz WJEOSLZANXWEIT-XQUALCHDSA-N 2 1 364.533 4.068 20 0 FIADMP COc1cc(C)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499196957 1123316320 /nfs/dbraw/zinc/31/63/20/1123316320.db2.gz SUZWYTNSYUEREU-KOUNCHBCSA-N 2 1 350.506 4.289 20 0 FIADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250181 1123358272 /nfs/dbraw/zinc/35/82/72/1123358272.db2.gz LTXODGDYFUCAJX-CIQXWFTPSA-N 2 1 368.496 4.378 20 0 FIADMP COc1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C ZINC000499252296 1123360616 /nfs/dbraw/zinc/36/06/16/1123360616.db2.gz OZNBQVSTYVVRGW-NUNAXRQHSA-N 2 1 364.533 4.331 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132882418 1123376066 /nfs/dbraw/zinc/37/60/66/1123376066.db2.gz UMZPIJBVVYCSNL-WMLDXEAASA-N 2 1 355.448 4.188 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132882418 1123376072 /nfs/dbraw/zinc/37/60/72/1123376072.db2.gz UMZPIJBVVYCSNL-WMLDXEAASA-N 2 1 355.448 4.188 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132882418 1123376077 /nfs/dbraw/zinc/37/60/77/1123376077.db2.gz UMZPIJBVVYCSNL-WMLDXEAASA-N 2 1 355.448 4.188 20 0 FIADMP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000133503537 1123493896 /nfs/dbraw/zinc/49/38/96/1123493896.db2.gz KGQPYIPVRQCFKR-OAHLLOKOSA-N 2 1 361.555 4.232 20 0 FIADMP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000133760826 1123529181 /nfs/dbraw/zinc/52/91/81/1123529181.db2.gz NSAXRXZEQADPPW-XOBRGWDASA-N 2 1 351.498 4.333 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1 ZINC000236871055 1123580226 /nfs/dbraw/zinc/58/02/26/1123580226.db2.gz RNDZXKCMQJVWTR-HXUWFJFHSA-N 2 1 374.532 4.279 20 0 FIADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000236965877 1123586459 /nfs/dbraw/zinc/58/64/59/1123586459.db2.gz HTUVPGWDTOABBD-TZIWHRDSSA-N 2 1 374.569 4.235 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237050526 1123592153 /nfs/dbraw/zinc/59/21/53/1123592153.db2.gz QDEOZCLROIEXLO-UXHICEINSA-N 2 1 374.960 4.164 20 0 FIADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000134880281 1123687074 /nfs/dbraw/zinc/68/70/74/1123687074.db2.gz QUSPGCBIKARZHP-XMSQKQJNSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)on2)cc1 ZINC000134880281 1123687079 /nfs/dbraw/zinc/68/70/79/1123687079.db2.gz QUSPGCBIKARZHP-XMSQKQJNSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)cc1 ZINC000134880281 1123687087 /nfs/dbraw/zinc/68/70/87/1123687087.db2.gz QUSPGCBIKARZHP-XMSQKQJNSA-N 2 1 351.494 4.099 20 0 FIADMP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)cc1 ZINC000134880281 1123687091 /nfs/dbraw/zinc/68/70/91/1123687091.db2.gz QUSPGCBIKARZHP-XMSQKQJNSA-N 2 1 351.494 4.099 20 0 FIADMP COc1ccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000078704697 1123800430 /nfs/dbraw/zinc/80/04/30/1123800430.db2.gz PDCRYLAKVAUYFM-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccc(OCCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000078704697 1123800431 /nfs/dbraw/zinc/80/04/31/1123800431.db2.gz PDCRYLAKVAUYFM-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccc(OCCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000078704697 1123800436 /nfs/dbraw/zinc/80/04/36/1123800436.db2.gz PDCRYLAKVAUYFM-VQTJNVASSA-N 2 1 360.542 4.051 20 0 FIADMP OCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000245637118 1124155302 /nfs/dbraw/zinc/15/53/02/1124155302.db2.gz ABHHSDSSSPMOLG-GPJHCHHRSA-N 2 1 356.554 4.103 20 0 FIADMP OCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000245637122 1124156043 /nfs/dbraw/zinc/15/60/43/1124156043.db2.gz ABHHSDSSSPMOLG-KAOXLYBCSA-N 2 1 356.554 4.103 20 0 FIADMP CC(C)(C)C[N@H+](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC001236457365 1124184250 /nfs/dbraw/zinc/18/42/50/1124184250.db2.gz KGKPRHIWHMNHGG-UHFFFAOYSA-N 2 1 357.311 4.188 20 0 FIADMP CC(C)(C)C[N@@H+](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC001236457365 1124184253 /nfs/dbraw/zinc/18/42/53/1124184253.db2.gz KGKPRHIWHMNHGG-UHFFFAOYSA-N 2 1 357.311 4.188 20 0 FIADMP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245675506 1124185232 /nfs/dbraw/zinc/18/52/32/1124185232.db2.gz HYEBLASBQQEYNW-ULPXVVAUSA-N 2 1 372.516 4.158 20 0 FIADMP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245675506 1124185239 /nfs/dbraw/zinc/18/52/39/1124185239.db2.gz HYEBLASBQQEYNW-ULPXVVAUSA-N 2 1 372.516 4.158 20 0 FIADMP Cc1nc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sc1C ZINC000245752884 1124240327 /nfs/dbraw/zinc/24/03/27/1124240327.db2.gz UINMQDREPVZTRT-ACDBMABISA-N 2 1 355.551 4.088 20 0 FIADMP COc1ccc([C@@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2Cl)cc1 ZINC000245885416 1124272022 /nfs/dbraw/zinc/27/20/22/1124272022.db2.gz BPQJUGROGFRRJI-IIBYNOLFSA-N 2 1 358.913 4.369 20 0 FIADMP c1[nH+]c2cc(N[C@@H]3CCNc4ccccc43)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168648036 1124325416 /nfs/dbraw/zinc/32/54/16/1124325416.db2.gz ZILDJANJUCMYEL-FXAWDEMLSA-N 2 1 361.493 4.320 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000180516773 1124358960 /nfs/dbraw/zinc/35/89/60/1124358960.db2.gz FSWPFGKMRLGFQN-HOTGVXAUSA-N 2 1 372.513 4.135 20 0 FIADMP c1[nH+]c2cc(N[C@H]3CCCc4cccnc43)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168655174 1124427144 /nfs/dbraw/zinc/42/71/44/1124427144.db2.gz LJLNLNZSOWNAAZ-MOPGFXCFSA-N 2 1 361.493 4.235 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000542841639 1124435848 /nfs/dbraw/zinc/43/58/48/1124435848.db2.gz MDRZBOBGOLEZQJ-QMMLZNLJSA-N 2 1 354.542 4.150 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000542841639 1124435853 /nfs/dbraw/zinc/43/58/53/1124435853.db2.gz MDRZBOBGOLEZQJ-QMMLZNLJSA-N 2 1 354.542 4.150 20 0 FIADMP CCCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000542846114 1124443001 /nfs/dbraw/zinc/44/30/01/1124443001.db2.gz JWAVGAPXJVDRGJ-XZOQPEGZSA-N 2 1 352.522 4.274 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)cc1 ZINC000246948462 1124575854 /nfs/dbraw/zinc/57/58/54/1124575854.db2.gz HGWMJJPMOPNKDP-SPEDKVCISA-N 2 1 363.505 4.386 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCOc4ccccc43)C2)cc1 ZINC000246971868 1124577173 /nfs/dbraw/zinc/57/71/73/1124577173.db2.gz JNVYZAQGPKMMES-UNMCSNQZSA-N 2 1 350.506 4.055 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000921775129 1124597391 /nfs/dbraw/zinc/59/73/91/1124597391.db2.gz QHUQFAPJLSIEMX-UHFFFAOYSA-N 2 1 364.493 4.123 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247213660 1124598507 /nfs/dbraw/zinc/59/85/07/1124598507.db2.gz XDIYNVXQGCQRJO-IRXDYDNUSA-N 2 1 358.551 4.382 20 0 FIADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000247213660 1124598531 /nfs/dbraw/zinc/59/85/31/1124598531.db2.gz XDIYNVXQGCQRJO-IRXDYDNUSA-N 2 1 358.551 4.382 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)[C@@H](C)C1 ZINC000247205513 1124598784 /nfs/dbraw/zinc/59/87/84/1124598784.db2.gz WQYDDIMIJWYYKE-SNRMKQJTSA-N 2 1 366.546 4.089 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)[C@@H](C)C1 ZINC000247205513 1124598793 /nfs/dbraw/zinc/59/87/93/1124598793.db2.gz WQYDDIMIJWYYKE-SNRMKQJTSA-N 2 1 366.546 4.089 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000248403795 1124762434 /nfs/dbraw/zinc/76/24/34/1124762434.db2.gz PDHLEFUGGIWOCK-SQNIBIBYSA-N 2 1 360.542 4.316 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248753995 1124810208 /nfs/dbraw/zinc/81/02/08/1124810208.db2.gz CLBLVHIHZKNWGO-WEMPKCCASA-N 2 1 366.480 4.435 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248753995 1124810218 /nfs/dbraw/zinc/81/02/18/1124810218.db2.gz CLBLVHIHZKNWGO-WEMPKCCASA-N 2 1 366.480 4.435 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248753995 1124810226 /nfs/dbraw/zinc/81/02/26/1124810226.db2.gz CLBLVHIHZKNWGO-WEMPKCCASA-N 2 1 366.480 4.435 20 0 FIADMP COc1ccc(F)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248991578 1124834067 /nfs/dbraw/zinc/83/40/67/1124834067.db2.gz NNRSJSSTZJWRMR-WKCHPHFGSA-N 2 1 354.469 4.120 20 0 FIADMP COc1ccc(F)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248991578 1124834069 /nfs/dbraw/zinc/83/40/69/1124834069.db2.gz NNRSJSSTZJWRMR-WKCHPHFGSA-N 2 1 354.469 4.120 20 0 FIADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000649417753 1124841744 /nfs/dbraw/zinc/84/17/44/1124841744.db2.gz DIRWBZARQDDIPJ-QZTJIDSGSA-N 2 1 371.550 4.030 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2SC)[C@H](C)C1 ZINC000249529757 1124863651 /nfs/dbraw/zinc/86/36/51/1124863651.db2.gz JHNXEAUJWMDTQM-LMMKCTJWSA-N 2 1 350.572 4.196 20 0 FIADMP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089695975 1124928485 /nfs/dbraw/zinc/92/84/85/1124928485.db2.gz MRZYOKLTNGDNGM-GTNSWQLSSA-N 2 1 369.734 4.164 20 0 FIADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000542946009 1124946307 /nfs/dbraw/zinc/94/63/07/1124946307.db2.gz AUKXPKCNFHUOPL-UHFFFAOYSA-N 2 1 353.938 4.078 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)oc2cc1C ZINC000090524833 1125000698 /nfs/dbraw/zinc/00/06/98/1125000698.db2.gz SOADPUBJPVQBDF-YYWHXJBOSA-N 2 1 370.537 4.468 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090523669 1125000962 /nfs/dbraw/zinc/00/09/62/1125000962.db2.gz QQPVVNUPXDFGNO-JYJNAYRXSA-N 2 1 356.963 4.210 20 0 FIADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cc(C)ccc1OC ZINC000091733837 1125089523 /nfs/dbraw/zinc/08/95/23/1125089523.db2.gz ZQCJFZNQCLPJTQ-FQEVSTJZSA-N 2 1 368.525 4.120 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353998 1125229802 /nfs/dbraw/zinc/22/98/02/1125229802.db2.gz XSPFLSJGHYMVPU-GHTZIAJQSA-N 2 1 372.582 4.160 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353998 1125229806 /nfs/dbraw/zinc/22/98/06/1125229806.db2.gz XSPFLSJGHYMVPU-GHTZIAJQSA-N 2 1 372.582 4.160 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563972 1125439838 /nfs/dbraw/zinc/43/98/38/1125439838.db2.gz WXZGQFSVLLWJNT-IBGZPJMESA-N 2 1 358.917 4.180 20 0 FIADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563972 1125439840 /nfs/dbraw/zinc/43/98/40/1125439840.db2.gz WXZGQFSVLLWJNT-IBGZPJMESA-N 2 1 358.917 4.180 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120165 568224915 /nfs/dbraw/zinc/22/49/15/568224915.db2.gz UUMJQEUDBRBVEO-GOTSBHOMSA-N 2 1 364.533 4.031 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120165 568224916 /nfs/dbraw/zinc/22/49/16/568224916.db2.gz UUMJQEUDBRBVEO-GOTSBHOMSA-N 2 1 364.533 4.031 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1)C(C)C ZINC000604726811 568353417 /nfs/dbraw/zinc/35/34/17/568353417.db2.gz SCHMMOAHWSGUQK-FQEVSTJZSA-N 2 1 361.574 4.013 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165438 568593841 /nfs/dbraw/zinc/59/38/41/568593841.db2.gz BRFZNWCVWXGTGI-PKOBYXMFSA-N 2 1 363.427 4.273 20 0 FIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165049186 721978323 /nfs/dbraw/zinc/97/83/23/721978323.db2.gz ICDNWORHQYDHTF-VXKWHMMOSA-N 2 1 370.585 4.473 20 0 FIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC([NH+](CC)CC)CC2)nc1 ZINC001165054693 722007504 /nfs/dbraw/zinc/00/75/04/722007504.db2.gz YFIGXFDCYZJKLV-OAQYLSRUSA-N 2 1 358.574 4.329 20 0 FIADMP Cc1[nH+]c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc2[nH]ccc21 ZINC001164995389 722206754 /nfs/dbraw/zinc/20/67/54/722206754.db2.gz NFEBGDUERRQHGM-JOCHJYFZSA-N 2 1 364.468 4.255 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000619772532 1125701169 /nfs/dbraw/zinc/70/11/69/1125701169.db2.gz MIKHQTPSFSRMMZ-HXUWFJFHSA-N 2 1 356.485 4.226 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000579744265 1079607398 /nfs/dbraw/zinc/60/73/98/1079607398.db2.gz YGCGUXVJAZVIFV-HZSPNIEDSA-N 2 1 371.388 4.251 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546779 1079670612 /nfs/dbraw/zinc/67/06/12/1079670612.db2.gz URUZWMCRCJMTAR-QAPCUYQASA-N 2 1 355.551 4.368 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407319 1125789300 /nfs/dbraw/zinc/78/93/00/1125789300.db2.gz GASYZKZHMGLLHU-CVEARBPZSA-N 2 1 362.514 4.459 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407319 1125789305 /nfs/dbraw/zinc/78/93/05/1125789305.db2.gz GASYZKZHMGLLHU-CVEARBPZSA-N 2 1 362.514 4.459 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463163000 1080024438 /nfs/dbraw/zinc/02/44/38/1080024438.db2.gz QNRMUTRSVKDUDX-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463163000 1080024449 /nfs/dbraw/zinc/02/44/49/1080024449.db2.gz QNRMUTRSVKDUDX-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP CCC[N@H+](Cc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533382001 1080062923 /nfs/dbraw/zinc/06/29/23/1080062923.db2.gz RMNAXQVDIKRQFW-UHFFFAOYSA-N 2 1 352.526 4.283 20 0 FIADMP CCC[N@@H+](Cc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533382001 1080062931 /nfs/dbraw/zinc/06/29/31/1080062931.db2.gz RMNAXQVDIKRQFW-UHFFFAOYSA-N 2 1 352.526 4.283 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069407 1080581785 /nfs/dbraw/zinc/58/17/85/1080581785.db2.gz UZTIVSBMEHIAJC-XGHQBKJUSA-N 2 1 351.494 4.072 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000155069407 1080581794 /nfs/dbraw/zinc/58/17/94/1080581794.db2.gz UZTIVSBMEHIAJC-XGHQBKJUSA-N 2 1 351.494 4.072 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000155229907 1080727396 /nfs/dbraw/zinc/72/73/96/1080727396.db2.gz ITDHLLLSSCMUEZ-ZEQRLZLVSA-N 2 1 364.533 4.203 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC001648805467 1081001584 /nfs/dbraw/zinc/00/15/84/1081001584.db2.gz RYFSBJXHRDMKLQ-UHFFFAOYSA-N 2 1 354.542 4.208 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000655721587 1081139397 /nfs/dbraw/zinc/13/93/97/1081139397.db2.gz PUXDEWXCWKYESX-UHFFFAOYSA-N 2 1 370.516 4.064 20 0 FIADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cc1Cl ZINC000655773345 1081183572 /nfs/dbraw/zinc/18/35/72/1081183572.db2.gz WOAPNSSIGOSURI-PXNSSMCTSA-N 2 1 366.908 4.163 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C(C)C)CC3)cc2)CC1 ZINC001648814446 1081219713 /nfs/dbraw/zinc/21/97/13/1081219713.db2.gz MOEWBVPJQPSQAQ-UHFFFAOYSA-N 2 1 357.586 4.129 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000121477857 1081243641 /nfs/dbraw/zinc/24/36/41/1081243641.db2.gz QHYFXJVJKUJEOK-CABCVRRESA-N 2 1 351.441 4.040 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001167306912 1081244489 /nfs/dbraw/zinc/24/44/89/1081244489.db2.gz LWHSBWZTGKDJPB-UHFFFAOYSA-N 2 1 358.476 4.351 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851014 1081261151 /nfs/dbraw/zinc/26/11/51/1081261151.db2.gz AFYYQVGFAASVRR-LEWJYISDSA-N 2 1 354.538 4.265 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851014 1081261158 /nfs/dbraw/zinc/26/11/58/1081261158.db2.gz AFYYQVGFAASVRR-LEWJYISDSA-N 2 1 354.538 4.265 20 0 FIADMP COCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000122363046 1081316670 /nfs/dbraw/zinc/31/66/70/1081316670.db2.gz PZMANALIWXYKRO-UHFFFAOYSA-N 2 1 362.533 4.019 20 0 FIADMP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc2ccccc21 ZINC001167325465 1081403925 /nfs/dbraw/zinc/40/39/25/1081403925.db2.gz BTXVABYKOHKMRM-YKSBVNFPSA-N 2 1 366.549 4.461 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580073578 1081571884 /nfs/dbraw/zinc/57/18/84/1081571884.db2.gz PDWQHMHLULWPRQ-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580073578 1081571886 /nfs/dbraw/zinc/57/18/86/1081571886.db2.gz PDWQHMHLULWPRQ-NRFANRHFSA-N 2 1 359.517 4.497 20 0 FIADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698466 1081594798 /nfs/dbraw/zinc/59/47/98/1081594798.db2.gz RFMYCAXVHFILTL-TZIWHRDSSA-N 2 1 368.521 4.267 20 0 FIADMP C[NH+](C)CCCC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC001204542431 1082003704 /nfs/dbraw/zinc/00/37/04/1082003704.db2.gz FKXXZBZMZLDSFW-UHFFFAOYSA-N 2 1 357.311 4.142 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925156 1082033878 /nfs/dbraw/zinc/03/38/78/1082033878.db2.gz DGQGDHZGSIEBPU-BJLQDIEVSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925156 1082033886 /nfs/dbraw/zinc/03/38/86/1082033886.db2.gz DGQGDHZGSIEBPU-BJLQDIEVSA-N 2 1 368.521 4.265 20 0 FIADMP Clc1ccc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001167421607 1082034894 /nfs/dbraw/zinc/03/48/94/1082034894.db2.gz YBCKOOMBBBIMSN-OAQYLSRUSA-N 2 1 370.924 4.162 20 0 FIADMP Clc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001167421607 1082034901 /nfs/dbraw/zinc/03/49/01/1082034901.db2.gz YBCKOOMBBBIMSN-OAQYLSRUSA-N 2 1 370.924 4.162 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)cn1 ZINC000580749361 1082120717 /nfs/dbraw/zinc/12/07/17/1082120717.db2.gz YKAMISSRJBZNIV-HNNXBMFYSA-N 2 1 374.326 4.291 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126410124 1082141360 /nfs/dbraw/zinc/14/13/60/1082141360.db2.gz HOKXJXKPYSPMCC-BRIRTLKKSA-N 2 1 372.557 4.226 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126410124 1082141363 /nfs/dbraw/zinc/14/13/63/1082141363.db2.gz HOKXJXKPYSPMCC-BRIRTLKKSA-N 2 1 372.557 4.226 20 0 FIADMP CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000580801364 1082143123 /nfs/dbraw/zinc/14/31/23/1082143123.db2.gz FMRDWJYTFZXIPJ-UHFFFAOYSA-N 2 1 362.521 4.171 20 0 FIADMP CC[NH2+]CC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000430544835 1082420034 /nfs/dbraw/zinc/42/00/34/1082420034.db2.gz HAUFBHMLQSAWHX-UHFFFAOYSA-N 2 1 363.958 4.209 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430581507 1082519043 /nfs/dbraw/zinc/51/90/43/1082519043.db2.gz OQWCGICURZOUTO-QKLQHJQFSA-N 2 1 351.494 4.059 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430581509 1082519319 /nfs/dbraw/zinc/51/93/19/1082519319.db2.gz OQWCGICURZOUTO-SQGPQFPESA-N 2 1 351.494 4.059 20 0 FIADMP C[NH+](C)CCc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581489005 1082617770 /nfs/dbraw/zinc/61/77/70/1082617770.db2.gz JJNFSBKKKPZMJW-QHCPKHFHSA-N 2 1 363.549 4.400 20 0 FIADMP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000090176702 1082675020 /nfs/dbraw/zinc/67/50/20/1082675020.db2.gz MTRSMNZIUXIKHI-YCRPNKLZSA-N 2 1 353.441 4.358 20 0 FIADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000076109724 1082733151 /nfs/dbraw/zinc/73/31/51/1082733151.db2.gz CMRXNWRXYCMKHP-FQEVSTJZSA-N 2 1 370.562 4.371 20 0 FIADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000076109724 1082733155 /nfs/dbraw/zinc/73/31/55/1082733155.db2.gz CMRXNWRXYCMKHP-FQEVSTJZSA-N 2 1 370.562 4.371 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000076109724 1082733159 /nfs/dbraw/zinc/73/31/59/1082733159.db2.gz CMRXNWRXYCMKHP-FQEVSTJZSA-N 2 1 370.562 4.371 20 0 FIADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000076109724 1082733161 /nfs/dbraw/zinc/73/31/61/1082733161.db2.gz CMRXNWRXYCMKHP-FQEVSTJZSA-N 2 1 370.562 4.371 20 0 FIADMP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157389549 1082768313 /nfs/dbraw/zinc/76/83/13/1082768313.db2.gz LPLSUMKAJDXVIU-KRWDZBQOSA-N 2 1 356.432 4.078 20 0 FIADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157389549 1082768318 /nfs/dbraw/zinc/76/83/18/1082768318.db2.gz LPLSUMKAJDXVIU-KRWDZBQOSA-N 2 1 356.432 4.078 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642084 1082807177 /nfs/dbraw/zinc/80/71/77/1082807177.db2.gz URCXNLNLSTVUEP-XLIONFOSSA-N 2 1 367.493 4.009 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430642084 1082807183 /nfs/dbraw/zinc/80/71/83/1082807183.db2.gz URCXNLNLSTVUEP-XLIONFOSSA-N 2 1 367.493 4.009 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000430815315 1083188198 /nfs/dbraw/zinc/18/81/98/1083188198.db2.gz PGOQBBQKIAADSL-CVDCTZTESA-N 2 1 364.533 4.149 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000430815315 1083188206 /nfs/dbraw/zinc/18/82/06/1083188206.db2.gz PGOQBBQKIAADSL-CVDCTZTESA-N 2 1 364.533 4.149 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815315 1083188211 /nfs/dbraw/zinc/18/82/11/1083188211.db2.gz PGOQBBQKIAADSL-CVDCTZTESA-N 2 1 364.533 4.149 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815315 1083188215 /nfs/dbraw/zinc/18/82/15/1083188215.db2.gz PGOQBBQKIAADSL-CVDCTZTESA-N 2 1 364.533 4.149 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000510755981 1083294076 /nfs/dbraw/zinc/29/40/76/1083294076.db2.gz YBCJJTCTYQCYMR-FIKGOQFSSA-N 2 1 368.512 4.013 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C3(CCC3)C2)cc1 ZINC000658316661 1083404412 /nfs/dbraw/zinc/40/44/12/1083404412.db2.gz GNDXCMDVRKYPMO-VXKWHMMOSA-N 2 1 368.565 4.228 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCc3cccnc3CC2)C[N@H+]1Cc1ccccc1 ZINC000421836285 1083433016 /nfs/dbraw/zinc/43/30/16/1083433016.db2.gz ODSQKONXIQMAAG-NWSQWKLXSA-N 2 1 363.549 4.219 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Br)s1 ZINC000191501502 1083433065 /nfs/dbraw/zinc/43/30/65/1083433065.db2.gz DAAXXGPRQMMAQA-UHFFFAOYSA-N 2 1 356.333 4.182 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000191501502 1083433070 /nfs/dbraw/zinc/43/30/70/1083433070.db2.gz DAAXXGPRQMMAQA-UHFFFAOYSA-N 2 1 356.333 4.182 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000510965149 1083547325 /nfs/dbraw/zinc/54/73/25/1083547325.db2.gz YWZASGIAEISBNS-OAHLLOKOSA-N 2 1 366.328 4.171 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000510979877 1083555211 /nfs/dbraw/zinc/55/52/11/1083555211.db2.gz FSHYRVLFJBIYCQ-GHQDRPGLSA-N 2 1 364.961 4.313 20 0 FIADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000535806064 1083692377 /nfs/dbraw/zinc/69/23/77/1083692377.db2.gz CFXDUBRQECAMSL-FPOVZHCZSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806064 1083692383 /nfs/dbraw/zinc/69/23/83/1083692383.db2.gz CFXDUBRQECAMSL-FPOVZHCZSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Oc1cccnc1 ZINC000535806064 1083692399 /nfs/dbraw/zinc/69/23/99/1083692399.db2.gz CFXDUBRQECAMSL-FPOVZHCZSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000511014523 1084168337 /nfs/dbraw/zinc/16/83/37/1084168337.db2.gz MIMATARABQMFHK-NRFANRHFSA-N 2 1 355.432 4.433 20 0 FIADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000472069692 1084236690 /nfs/dbraw/zinc/23/66/90/1084236690.db2.gz LSIVTVAUUVOBEQ-IAGOWNOFSA-N 2 1 356.485 4.299 20 0 FIADMP CC[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647497904 1084249737 /nfs/dbraw/zinc/24/97/37/1084249737.db2.gz ZZNGQAQSODNMGM-OXJNMPFZSA-N 2 1 371.912 4.152 20 0 FIADMP CC1(C)CC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC(C)(C)[NH2+]1 ZINC000657292228 1084260380 /nfs/dbraw/zinc/26/03/80/1084260380.db2.gz GMBHGZBMHZCHOL-UHFFFAOYSA-N 2 1 357.473 4.412 20 0 FIADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000472509432 1084369246 /nfs/dbraw/zinc/36/92/46/1084369246.db2.gz XSQWIOCWLQUXQQ-KRWDZBQOSA-N 2 1 370.459 4.138 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000472509432 1084369258 /nfs/dbraw/zinc/36/92/58/1084369258.db2.gz XSQWIOCWLQUXQQ-KRWDZBQOSA-N 2 1 370.459 4.138 20 0 FIADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000472509432 1084369267 /nfs/dbraw/zinc/36/92/67/1084369267.db2.gz XSQWIOCWLQUXQQ-KRWDZBQOSA-N 2 1 370.459 4.138 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000431755847 1084408972 /nfs/dbraw/zinc/40/89/72/1084408972.db2.gz DWRSWJJOIHACBY-WIYYLYMNSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000431755847 1084408981 /nfs/dbraw/zinc/40/89/81/1084408981.db2.gz DWRSWJJOIHACBY-WIYYLYMNSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000431755847 1084408991 /nfs/dbraw/zinc/40/89/91/1084408991.db2.gz DWRSWJJOIHACBY-WIYYLYMNSA-N 2 1 357.542 4.122 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657311785 1084436010 /nfs/dbraw/zinc/43/60/10/1084436010.db2.gz VDEWCKOBHJOWQN-GOSISDBHSA-N 2 1 366.553 4.352 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cc2n(n1)CCC2 ZINC000414080497 1084464412 /nfs/dbraw/zinc/46/44/12/1084464412.db2.gz TWNFRVDKVDTGQS-GOSISDBHSA-N 2 1 352.526 4.056 20 0 FIADMP C[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)CC1CC[NH+](C)CC1 ZINC001143433491 1084496184 /nfs/dbraw/zinc/49/61/84/1084496184.db2.gz WWDGTYAJNREDOP-UHFFFAOYSA-N 2 1 350.812 4.012 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414115698 1084605131 /nfs/dbraw/zinc/60/51/31/1084605131.db2.gz NIYRILOJGHRSSO-HKUYNNGSSA-N 2 1 350.934 4.067 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cc4ccncc4s3)C2)c1 ZINC000657338811 1084637706 /nfs/dbraw/zinc/63/77/06/1084637706.db2.gz VECJKDSTIIDFRZ-OAHLLOKOSA-N 2 1 357.548 4.360 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cc4ccncc4s3)C2)c1 ZINC000657338811 1084637713 /nfs/dbraw/zinc/63/77/13/1084637713.db2.gz VECJKDSTIIDFRZ-OAHLLOKOSA-N 2 1 357.548 4.360 20 0 FIADMP O[C@]1(C[N@@H+]2CCCC3(C2)CCCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167548660 1084643304 /nfs/dbraw/zinc/64/33/04/1084643304.db2.gz DVMBKWRKCWNYKJ-HSZRJFAPSA-N 2 1 356.554 4.060 20 0 FIADMP O[C@]1(C[N@H+]2CCCC3(C2)CCCCCC3)CC[NH+](Cc2ccccc2)C1 ZINC001167548660 1084643307 /nfs/dbraw/zinc/64/33/07/1084643307.db2.gz DVMBKWRKCWNYKJ-HSZRJFAPSA-N 2 1 356.554 4.060 20 0 FIADMP O[C@]1(C[NH+]2CCCC3(C2)CCCCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001167548660 1084643311 /nfs/dbraw/zinc/64/33/11/1084643311.db2.gz DVMBKWRKCWNYKJ-HSZRJFAPSA-N 2 1 356.554 4.060 20 0 FIADMP O[C@]1(C[NH+]2CCCC3(C2)CCCCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001167548660 1084643314 /nfs/dbraw/zinc/64/33/14/1084643314.db2.gz DVMBKWRKCWNYKJ-HSZRJFAPSA-N 2 1 356.554 4.060 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000072085635 1084655103 /nfs/dbraw/zinc/65/51/03/1084655103.db2.gz BCVFGDZCVQNRNK-KDURUIRLSA-N 2 1 352.522 4.161 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000511498323 1084664385 /nfs/dbraw/zinc/66/43/85/1084664385.db2.gz XZWVGMGQPQWFSW-DENIHFKCSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000511498323 1084664388 /nfs/dbraw/zinc/66/43/88/1084664388.db2.gz XZWVGMGQPQWFSW-DENIHFKCSA-N 2 1 374.532 4.230 20 0 FIADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000414184549 1084762022 /nfs/dbraw/zinc/76/20/22/1084762022.db2.gz NZDMNHRDGNXDMQ-LAUBAEHRSA-N 2 1 357.929 4.340 20 0 FIADMP C(CC[N@H+]1CCC[C@]2(CCSC2)C1)C[NH+]1CCC[C@]2(CCSC2)C1 ZINC000582282488 1084829078 /nfs/dbraw/zinc/82/90/78/1084829078.db2.gz BBHBONBWBBXEHV-PMACEKPBSA-N 2 1 368.656 4.205 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccncc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000657388134 1084843420 /nfs/dbraw/zinc/84/34/20/1084843420.db2.gz FTCPOYQZUQMAMO-LPHOPBHVSA-N 2 1 351.519 4.439 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccncc3s2)CC[N@H+]1Cc1ccccc1 ZINC000657388134 1084843423 /nfs/dbraw/zinc/84/34/23/1084843423.db2.gz FTCPOYQZUQMAMO-LPHOPBHVSA-N 2 1 351.519 4.439 20 0 FIADMP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277066 1084958028 /nfs/dbraw/zinc/95/80/28/1084958028.db2.gz YWOHJSGXMGJGQI-DNVJHFABSA-N 2 1 367.537 4.050 20 0 FIADMP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277066 1084958034 /nfs/dbraw/zinc/95/80/34/1084958034.db2.gz YWOHJSGXMGJGQI-DNVJHFABSA-N 2 1 367.537 4.050 20 0 FIADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001167573361 1084992230 /nfs/dbraw/zinc/99/22/30/1084992230.db2.gz VKNLBHHDVKEEFE-MZYLBHOOSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573361 1084992233 /nfs/dbraw/zinc/99/22/33/1084992233.db2.gz VKNLBHHDVKEEFE-MZYLBHOOSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573361 1084992237 /nfs/dbraw/zinc/99/22/37/1084992237.db2.gz VKNLBHHDVKEEFE-MZYLBHOOSA-N 2 1 357.586 4.234 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582438745 1084999869 /nfs/dbraw/zinc/99/98/69/1084999869.db2.gz BBPHOFHFLGNGJW-PQNGQFLHSA-N 2 1 366.549 4.482 20 0 FIADMP CO[C@@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000549065107 1085067477 /nfs/dbraw/zinc/06/74/77/1085067477.db2.gz HZKAGCTVYCNFMN-QFIPXVFZSA-N 2 1 353.510 4.008 20 0 FIADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657469081 1085149337 /nfs/dbraw/zinc/14/93/37/1085149337.db2.gz FUQPNYNIYMUFCM-HXUWFJFHSA-N 2 1 366.553 4.080 20 0 FIADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657469081 1085149342 /nfs/dbraw/zinc/14/93/42/1085149342.db2.gz FUQPNYNIYMUFCM-HXUWFJFHSA-N 2 1 366.553 4.080 20 0 FIADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135047 1085170377 /nfs/dbraw/zinc/17/03/77/1085170377.db2.gz DNWIBHJOZHITIW-SJLPKXTDSA-N 2 1 364.530 4.018 20 0 FIADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135047 1085170385 /nfs/dbraw/zinc/17/03/85/1085170385.db2.gz DNWIBHJOZHITIW-SJLPKXTDSA-N 2 1 364.530 4.018 20 0 FIADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135045 1085170403 /nfs/dbraw/zinc/17/04/03/1085170403.db2.gz DNWIBHJOZHITIW-AEFFLSMTSA-N 2 1 364.530 4.018 20 0 FIADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652135045 1085170407 /nfs/dbraw/zinc/17/04/07/1085170407.db2.gz DNWIBHJOZHITIW-AEFFLSMTSA-N 2 1 364.530 4.018 20 0 FIADMP CSC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671351 1085290785 /nfs/dbraw/zinc/29/07/85/1085290785.db2.gz JKMSCOCXOMTCBH-BBWFWOEESA-N 2 1 358.473 4.326 20 0 FIADMP CSC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000611671351 1085290789 /nfs/dbraw/zinc/29/07/89/1085290789.db2.gz JKMSCOCXOMTCBH-BBWFWOEESA-N 2 1 358.473 4.326 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1F ZINC000661485004 1085600159 /nfs/dbraw/zinc/60/01/59/1085600159.db2.gz NYEYKFCWBDPSDI-JOCHJYFZSA-N 2 1 356.485 4.145 20 0 FIADMP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000657659369 1085786050 /nfs/dbraw/zinc/78/60/50/1085786050.db2.gz GQOHMVOJCQQOIS-LJQANCHMSA-N 2 1 356.535 4.181 20 0 FIADMP Cc1ccccc1-c1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000048562686 1085900947 /nfs/dbraw/zinc/90/09/47/1085900947.db2.gz YCFFOJZRTWIFBD-UHFFFAOYSA-N 2 1 368.525 4.133 20 0 FIADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347826 1085918807 /nfs/dbraw/zinc/91/88/07/1085918807.db2.gz MVCNFROEBZHNDE-VAGZCVSGSA-N 2 1 357.325 4.273 20 0 FIADMP Cc1nc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000652352594 1085934882 /nfs/dbraw/zinc/93/48/82/1085934882.db2.gz COUUOQIUFQMPQA-IIMJZQEZSA-N 2 1 359.901 4.425 20 0 FIADMP Cc1nc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000652352594 1085934890 /nfs/dbraw/zinc/93/48/90/1085934890.db2.gz COUUOQIUFQMPQA-IIMJZQEZSA-N 2 1 359.901 4.425 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@@H]21 ZINC001167648333 1086030250 /nfs/dbraw/zinc/03/02/50/1086030250.db2.gz SMCFXJIYYUDDTP-REWPJTCUSA-N 2 1 368.496 4.321 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@@H]21 ZINC001167648333 1086030260 /nfs/dbraw/zinc/03/02/60/1086030260.db2.gz SMCFXJIYYUDDTP-REWPJTCUSA-N 2 1 368.496 4.321 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC[C@@H]21 ZINC001167648333 1086030270 /nfs/dbraw/zinc/03/02/70/1086030270.db2.gz SMCFXJIYYUDDTP-REWPJTCUSA-N 2 1 368.496 4.321 20 0 FIADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063422 1086131216 /nfs/dbraw/zinc/13/12/16/1086131216.db2.gz SQKIQLDLPRJDCW-UGKGYDQZSA-N 2 1 350.506 4.184 20 0 FIADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000248451392 1086169030 /nfs/dbraw/zinc/16/90/30/1086169030.db2.gz PILGECBPRQWEKI-DENIHFKCSA-N 2 1 352.522 4.029 20 0 FIADMP C[C@H](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053749 1086183309 /nfs/dbraw/zinc/18/33/09/1086183309.db2.gz YCEMTOUNKUBYPY-XBYSBRQOSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053749 1086183316 /nfs/dbraw/zinc/18/33/16/1086183316.db2.gz YCEMTOUNKUBYPY-XBYSBRQOSA-N 3 1 355.570 4.036 20 0 FIADMP C[C@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000249053749 1086183321 /nfs/dbraw/zinc/18/33/21/1086183321.db2.gz YCEMTOUNKUBYPY-XBYSBRQOSA-N 3 1 355.570 4.036 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000544044590 1086340176 /nfs/dbraw/zinc/34/01/76/1086340176.db2.gz WILWXWPHOAEMNQ-ACJLOTCBSA-N 2 1 362.315 4.257 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001167658707 1086388167 /nfs/dbraw/zinc/38/81/67/1086388167.db2.gz KOWORSNPDQJQNL-FXAWDEMLSA-N 2 1 364.574 4.083 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294207 1086398510 /nfs/dbraw/zinc/39/85/10/1086398510.db2.gz PUFJFIKFTAKLEA-LJQANCHMSA-N 2 1 351.494 4.086 20 0 FIADMP c1ccc(-c2nc3c(s2)C[N@@H+](Cc2cccc4c2CC[NH2+]C4)CC3)cc1 ZINC000662304433 1086404665 /nfs/dbraw/zinc/40/46/65/1086404665.db2.gz IRGKRLCIMPJZES-UHFFFAOYSA-N 2 1 361.514 4.014 20 0 FIADMP Cc1cccc([C@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327730 1086418808 /nfs/dbraw/zinc/41/88/08/1086418808.db2.gz UIYFHJHKJLRKTH-KRWDZBQOSA-N 2 1 352.526 4.126 20 0 FIADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327351 1086418991 /nfs/dbraw/zinc/41/89/91/1086418991.db2.gz OEZJSBINPPYJCC-OAHLLOKOSA-N 2 1 372.944 4.471 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216746 1086420972 /nfs/dbraw/zinc/42/09/72/1086420972.db2.gz DEYNLNZMJRFERH-UQAQOTMJSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216746 1086420976 /nfs/dbraw/zinc/42/09/76/1086420976.db2.gz DEYNLNZMJRFERH-UQAQOTMJSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662389025 1086429146 /nfs/dbraw/zinc/42/91/46/1086429146.db2.gz WRCHBDFNNRWMCD-OAHLLOKOSA-N 2 1 369.534 4.021 20 0 FIADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663344260 1086443166 /nfs/dbraw/zinc/44/31/66/1086443166.db2.gz QJLWNXWXZHIAEI-OAQYLSRUSA-N 2 1 364.537 4.061 20 0 FIADMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663344260 1086443178 /nfs/dbraw/zinc/44/31/78/1086443178.db2.gz QJLWNXWXZHIAEI-OAQYLSRUSA-N 2 1 364.537 4.061 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCOc4ccccc43)CC2)oc1C ZINC000162762371 1086472619 /nfs/dbraw/zinc/47/26/19/1086472619.db2.gz FEQUZTYJOQQPPR-FQEVSTJZSA-N 2 1 369.509 4.007 20 0 FIADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000647282780 1086483645 /nfs/dbraw/zinc/48/36/45/1086483645.db2.gz TXJCGTZBEUGUMB-HSZRJFAPSA-N 2 1 351.538 4.466 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583292638 1086534534 /nfs/dbraw/zinc/53/45/34/1086534534.db2.gz UUTPPPVGTGZWEP-UKRRQHHQSA-N 2 1 356.432 4.154 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000583292638 1086534541 /nfs/dbraw/zinc/53/45/41/1086534541.db2.gz UUTPPPVGTGZWEP-UKRRQHHQSA-N 2 1 356.432 4.154 20 0 FIADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468201 1086571588 /nfs/dbraw/zinc/57/15/88/1086571588.db2.gz KEXYRMCICPRMFR-HIFRSBDPSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468201 1086571595 /nfs/dbraw/zinc/57/15/95/1086571595.db2.gz KEXYRMCICPRMFR-HIFRSBDPSA-N 2 1 356.432 4.200 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1OC(F)F ZINC000663468201 1086571603 /nfs/dbraw/zinc/57/16/03/1086571603.db2.gz KEXYRMCICPRMFR-HIFRSBDPSA-N 2 1 356.432 4.200 20 0 FIADMP COc1cc(OC)c([C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470148 1086574282 /nfs/dbraw/zinc/57/42/82/1086574282.db2.gz SLVMTBFLJAEBOB-GDBMZVCRSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000663470148 1086574291 /nfs/dbraw/zinc/57/42/91/1086574291.db2.gz SLVMTBFLJAEBOB-GDBMZVCRSA-N 2 1 366.933 4.130 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000663470148 1086574300 /nfs/dbraw/zinc/57/43/00/1086574300.db2.gz SLVMTBFLJAEBOB-GDBMZVCRSA-N 2 1 366.933 4.130 20 0 FIADMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663469691 1086576112 /nfs/dbraw/zinc/57/61/12/1086576112.db2.gz GVWYIUSVSQSQDH-NVXWUHKLSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663469691 1086576128 /nfs/dbraw/zinc/57/61/28/1086576128.db2.gz GVWYIUSVSQSQDH-NVXWUHKLSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnccc3C(F)(F)F)CC2)C1 ZINC000663474384 1086581347 /nfs/dbraw/zinc/58/13/47/1086581347.db2.gz NUNHJJGTSDAJMU-RHSMWYFYSA-N 2 1 355.448 4.233 20 0 FIADMP CC(C)(C)[N@H+]1CC[C@](F)(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000583351593 1086597338 /nfs/dbraw/zinc/59/73/38/1086597338.db2.gz HDMMSSOGQRWJGA-OAQYLSRUSA-N 2 1 372.488 4.001 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001167826534 1086616877 /nfs/dbraw/zinc/61/68/77/1086616877.db2.gz PTTVOPNKYQIHJD-OAQYLSRUSA-N 3 1 359.602 4.483 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001167826534 1086616883 /nfs/dbraw/zinc/61/68/83/1086616883.db2.gz PTTVOPNKYQIHJD-OAQYLSRUSA-N 2 1 359.602 4.483 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)N1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001167826534 1086616891 /nfs/dbraw/zinc/61/68/91/1086616891.db2.gz PTTVOPNKYQIHJD-OAQYLSRUSA-N 2 1 359.602 4.483 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCSC[C@H]1c1ccc(OC)cc1 ZINC001167827195 1086621009 /nfs/dbraw/zinc/62/10/09/1086621009.db2.gz UQHJDEKRGJYCBQ-PXNSSMCTSA-N 2 1 350.572 4.296 20 0 FIADMP CCN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC001648931089 1086623516 /nfs/dbraw/zinc/62/35/16/1086623516.db2.gz RTWTXAADVAWIHS-UHFFFAOYSA-N 2 1 367.537 4.045 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCSC[C@@H]1c1cccc(OC)c1 ZINC001167833643 1086666825 /nfs/dbraw/zinc/66/68/25/1086666825.db2.gz CUQOQHKAGRFKSK-FXAWDEMLSA-N 2 1 350.572 4.296 20 0 FIADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCC[NH+](CC)CC ZINC001167833638 1086668248 /nfs/dbraw/zinc/66/82/48/1086668248.db2.gz CTOPISOBMPLKES-FQEVSTJZSA-N 2 1 362.558 4.342 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H](C)COC ZINC001167838059 1086711778 /nfs/dbraw/zinc/71/17/78/1086711778.db2.gz PFQUNHFSYJSECK-MOPGFXCFSA-N 2 1 350.547 4.043 20 0 FIADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)c2cc1C(C)C ZINC000759967332 1086712508 /nfs/dbraw/zinc/71/25/08/1086712508.db2.gz PDFVSAOCNPIHQK-SFHVURJKSA-N 2 1 356.510 4.141 20 0 FIADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c2cc1C(C)C ZINC000759967332 1086712510 /nfs/dbraw/zinc/71/25/10/1086712510.db2.gz PDFVSAOCNPIHQK-SFHVURJKSA-N 2 1 356.510 4.141 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001167840671 1086726748 /nfs/dbraw/zinc/72/67/48/1086726748.db2.gz HLNAGCOWXKPYDF-IBGZPJMESA-N 3 1 363.565 4.232 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001167840671 1086726754 /nfs/dbraw/zinc/72/67/54/1086726754.db2.gz HLNAGCOWXKPYDF-IBGZPJMESA-N 3 1 363.565 4.232 20 0 FIADMP Brc1cccc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000432420259 1086744283 /nfs/dbraw/zinc/74/42/83/1086744283.db2.gz AJIOUJPQMWKDPT-IIIMJFFVSA-N 2 1 363.343 4.302 20 0 FIADMP Brc1cccc(C2CC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000432420259 1086744286 /nfs/dbraw/zinc/74/42/86/1086744286.db2.gz AJIOUJPQMWKDPT-IIIMJFFVSA-N 2 1 363.343 4.302 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000512084538 1086751314 /nfs/dbraw/zinc/75/13/14/1086751314.db2.gz WXGXAXSPSXZHQB-UHFFFAOYSA-N 2 1 363.958 4.460 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000650706237 1086753772 /nfs/dbraw/zinc/75/37/72/1086753772.db2.gz GUOVMBVTCCDVLQ-HGHGUNKESA-N 2 1 374.912 4.318 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccc(NCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512132285 1086803096 /nfs/dbraw/zinc/80/30/96/1086803096.db2.gz RLPPORBUBLGEMV-INIZCTEOSA-N 2 1 358.555 4.049 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512132285 1086803110 /nfs/dbraw/zinc/80/31/10/1086803110.db2.gz RLPPORBUBLGEMV-INIZCTEOSA-N 2 1 358.555 4.049 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000512137874 1086816089 /nfs/dbraw/zinc/81/60/89/1086816089.db2.gz WOTNUDXCTGFULP-SFHVURJKSA-N 2 1 368.521 4.226 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000512137874 1086816109 /nfs/dbraw/zinc/81/61/09/1086816109.db2.gz WOTNUDXCTGFULP-SFHVURJKSA-N 2 1 368.521 4.226 20 0 FIADMP CCC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000657771796 1086820970 /nfs/dbraw/zinc/82/09/70/1086820970.db2.gz GHBSADMVUYWFMB-OAQYLSRUSA-N 2 1 356.554 4.085 20 0 FIADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000583639115 1086886496 /nfs/dbraw/zinc/88/64/96/1086886496.db2.gz WKUNAQOEPLMCHZ-KRWDZBQOSA-N 2 1 362.315 4.028 20 0 FIADMP CC(C)C(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000583644325 1086892623 /nfs/dbraw/zinc/89/26/23/1086892623.db2.gz YUQQGXFCUBCEFA-JOCHJYFZSA-N 2 1 372.597 4.433 20 0 FIADMP CCOCc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1OC ZINC000512180278 1086903697 /nfs/dbraw/zinc/90/36/97/1086903697.db2.gz NSIMXWFLZBMYSZ-NRFANRHFSA-N 2 1 374.569 4.176 20 0 FIADMP CCOCc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1OC ZINC000512180278 1086903700 /nfs/dbraw/zinc/90/37/00/1086903700.db2.gz NSIMXWFLZBMYSZ-NRFANRHFSA-N 2 1 374.569 4.176 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(c2ccccc2Br)CCC1 ZINC000650741804 1086919283 /nfs/dbraw/zinc/91/92/83/1086919283.db2.gz LRVPJDRJYIFMPG-CQSZACIVSA-N 2 1 374.326 4.341 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1)CC1CC1 ZINC000536141421 1086986900 /nfs/dbraw/zinc/98/69/00/1086986900.db2.gz RKDMNFIHSJKIMI-UHFFFAOYSA-N 2 1 372.582 4.472 20 0 FIADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]1 ZINC000092813254 1087086523 /nfs/dbraw/zinc/08/65/23/1087086523.db2.gz FSXFIWWBFVDNSB-HXUWFJFHSA-N 2 1 358.489 4.386 20 0 FIADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH+]1 ZINC000092813254 1087086530 /nfs/dbraw/zinc/08/65/30/1087086530.db2.gz FSXFIWWBFVDNSB-HXUWFJFHSA-N 2 1 358.489 4.386 20 0 FIADMP CCC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccn1 ZINC000159111456 1087205762 /nfs/dbraw/zinc/20/57/62/1087205762.db2.gz KEGLUWNQCDFSTB-LJQANCHMSA-N 2 1 356.514 4.029 20 0 FIADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3ncc(C)cc3C)C2)s1 ZINC000584354744 1087276710 /nfs/dbraw/zinc/27/67/10/1087276710.db2.gz WAWVMAGVDXTHJK-LJQANCHMSA-N 2 1 357.567 4.065 20 0 FIADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3ncc(C)cc3C)C2)s1 ZINC000584354744 1087276711 /nfs/dbraw/zinc/27/67/11/1087276711.db2.gz WAWVMAGVDXTHJK-LJQANCHMSA-N 2 1 357.567 4.065 20 0 FIADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3ncc(C)cc3C)C2)s1 ZINC000584354744 1087276716 /nfs/dbraw/zinc/27/67/16/1087276716.db2.gz WAWVMAGVDXTHJK-LJQANCHMSA-N 2 1 357.567 4.065 20 0 FIADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657839828 1087282718 /nfs/dbraw/zinc/28/27/18/1087282718.db2.gz HKEKBJAXYOKRPX-OTWHNJEPSA-N 2 1 365.359 4.233 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(C3CCCCC3)s2)C[C@H](C)O1 ZINC000084018229 1087344696 /nfs/dbraw/zinc/34/46/96/1087344696.db2.gz JQVQJZPIVNLQHJ-CALCHBBNSA-N 2 1 365.587 4.170 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000090524294 1087412043 /nfs/dbraw/zinc/41/20/43/1087412043.db2.gz ZMQGPBWLBNFYJO-BKTGTZMESA-N 2 1 371.352 4.412 20 0 FIADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)cc1 ZINC000091265909 1087426446 /nfs/dbraw/zinc/42/64/46/1087426446.db2.gz YKQUIUCWYUPDCV-QHCPKHFHSA-N 2 1 368.521 4.014 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867461 1087446936 /nfs/dbraw/zinc/44/69/36/1087446936.db2.gz MHNPABIXLHJPIJ-FUHWJXTLSA-N 2 1 359.464 4.234 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657867461 1087446938 /nfs/dbraw/zinc/44/69/38/1087446938.db2.gz MHNPABIXLHJPIJ-FUHWJXTLSA-N 2 1 359.464 4.234 20 0 FIADMP COc1cc2ccc([C@H](C)[NH2+]C[C@H](C)Cn3cc[nH+]c3C)cc2cc1OC ZINC000657868736 1087456490 /nfs/dbraw/zinc/45/64/90/1087456490.db2.gz DJLPKROLIOHXDA-HOTGVXAUSA-N 2 1 367.493 4.349 20 0 FIADMP COc1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c(C)c1OC ZINC000685467930 1087578022 /nfs/dbraw/zinc/57/80/22/1087578022.db2.gz RCEQZKNLNKYTKO-UHFFFAOYSA-N 2 1 368.521 4.109 20 0 FIADMP COc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)c(C)c1OC ZINC000685467930 1087578025 /nfs/dbraw/zinc/57/80/25/1087578025.db2.gz RCEQZKNLNKYTKO-UHFFFAOYSA-N 2 1 368.521 4.109 20 0 FIADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](C)c1cccnc1 ZINC000685469910 1087578296 /nfs/dbraw/zinc/57/82/96/1087578296.db2.gz NIIOGWZGQLMVGN-IBGZPJMESA-N 2 1 353.510 4.139 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000658144502 1087736391 /nfs/dbraw/zinc/73/63/91/1087736391.db2.gz MHNLDRQTEAYSBZ-SFTDATJTSA-N 2 1 358.913 4.148 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Oc1cccnc1 ZINC000414772266 1087739025 /nfs/dbraw/zinc/73/90/25/1087739025.db2.gz BOPVSHIKQGYFLG-VQTJNVASSA-N 2 1 351.494 4.004 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccs1 ZINC000658137524 1087742691 /nfs/dbraw/zinc/74/26/91/1087742691.db2.gz HIIJQMLYZJFJKB-UXHICEINSA-N 2 1 358.551 4.192 20 0 FIADMP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658138413 1087744405 /nfs/dbraw/zinc/74/44/05/1087744405.db2.gz MXSKEEOFZTZICA-REWPJTCUSA-N 2 1 364.533 4.156 20 0 FIADMP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(OC)c1 ZINC000658165949 1087759146 /nfs/dbraw/zinc/75/91/46/1087759146.db2.gz TWWLLEFESBKBLX-AOMKIAJQSA-N 2 1 365.477 4.228 20 0 FIADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nc(-c2ccc(Cl)cc2)n1 ZINC000424289557 1087898821 /nfs/dbraw/zinc/89/88/21/1087898821.db2.gz LZARORJERRGFRV-MRXNPFEDSA-N 2 1 370.928 4.069 20 0 FIADMP C[C@H]1CC2(C[N@H+]1Cc1csc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424299974 1087904470 /nfs/dbraw/zinc/90/44/70/1087904470.db2.gz WIPQLYAIALFVON-AWEZNQCLSA-N 2 1 361.942 4.428 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000424334179 1087926898 /nfs/dbraw/zinc/92/68/98/1087926898.db2.gz WNNRNTYDLOHUPJ-OALUTQOASA-N 2 1 360.542 4.170 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC000424334179 1087926908 /nfs/dbraw/zinc/92/69/08/1087926908.db2.gz WNNRNTYDLOHUPJ-OALUTQOASA-N 2 1 360.542 4.170 20 0 FIADMP C[C@H](C[N@H+]1CCCC12CC[NH+](C)CC2)c1cccc(Br)c1 ZINC000472598535 1087990612 /nfs/dbraw/zinc/99/06/12/1087990612.db2.gz LVUVOCSSFGFZMG-OAHLLOKOSA-N 2 1 351.332 4.113 20 0 FIADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414793352 1088043624 /nfs/dbraw/zinc/04/36/24/1088043624.db2.gz UNJKKVIDLXNDKN-UHFFFAOYSA-N 2 1 366.896 4.034 20 0 FIADMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647938488 1088453424 /nfs/dbraw/zinc/45/34/24/1088453424.db2.gz OLXVMDPKFIWWDK-LZJOCLMNSA-N 2 1 351.494 4.059 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCC(F)(F)C1 ZINC000514126581 1088772131 /nfs/dbraw/zinc/77/21/31/1088772131.db2.gz JVAVIRSGGLAWAJ-SFHVURJKSA-N 2 1 351.485 4.445 20 0 FIADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000514131526 1088779481 /nfs/dbraw/zinc/77/94/81/1088779481.db2.gz ZNDFKGSRKIQYJA-KRWDZBQOSA-N 2 1 371.500 4.461 20 0 FIADMP COCC[C@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678572 1088928017 /nfs/dbraw/zinc/92/80/17/1088928017.db2.gz HXZZDJHNZQBWCY-OAQYLSRUSA-N 2 1 353.510 4.177 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCc3ccc(F)cc3)CCCC2)CC1 ZINC000468557880 1089025995 /nfs/dbraw/zinc/02/59/95/1089025995.db2.gz YNXGCZIVOIYSAG-SFHVURJKSA-N 2 1 362.533 4.160 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000312390451 1089060559 /nfs/dbraw/zinc/06/05/59/1089060559.db2.gz CTQUTUVUNQEUCI-UYAOXDASSA-N 2 1 366.505 4.021 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059368 1089096099 /nfs/dbraw/zinc/09/60/99/1089096099.db2.gz WTXIQLRFNYGQDB-IFMALSPDSA-N 2 1 350.506 4.326 20 0 FIADMP [NH3+]CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000415055883 1089102126 /nfs/dbraw/zinc/10/21/26/1089102126.db2.gz PFLOXMMJLDLOSJ-NHYNNZIHSA-N 3 1 363.549 4.252 20 0 FIADMP [NH3+]CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000415055883 1089102137 /nfs/dbraw/zinc/10/21/37/1089102137.db2.gz PFLOXMMJLDLOSJ-NHYNNZIHSA-N 2 1 363.549 4.252 20 0 FIADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000415081801 1089137878 /nfs/dbraw/zinc/13/78/78/1089137878.db2.gz NMDMWLDXIYZBHI-MZKRTTBSSA-N 2 1 366.505 4.238 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)CC1 ZINC000415095981 1089153606 /nfs/dbraw/zinc/15/36/06/1089153606.db2.gz AEBMWSMYHXMXKI-ZWDXQAFOSA-N 3 1 355.570 4.112 20 0 FIADMP C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000415131977 1089197116 /nfs/dbraw/zinc/19/71/16/1089197116.db2.gz SWKHJKMNNAETOO-NVXWUHKLSA-N 2 1 371.912 4.009 20 0 FIADMP C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000415131978 1089198482 /nfs/dbraw/zinc/19/84/82/1089198482.db2.gz SWKHJKMNNAETOO-RDJZCZTQSA-N 2 1 371.912 4.009 20 0 FIADMP CC(C)Cc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000435056736 1089245398 /nfs/dbraw/zinc/24/53/98/1089245398.db2.gz OCEFYCPQVGMKHR-UHFFFAOYSA-N 2 1 358.555 4.254 20 0 FIADMP CCOC[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235835 1089315049 /nfs/dbraw/zinc/31/50/49/1089315049.db2.gz OYWGTUJRHNWNGU-BUHWKMJWSA-N 2 1 350.934 4.269 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435134420 1089318678 /nfs/dbraw/zinc/31/86/78/1089318678.db2.gz HOWNRFBIRWCBRK-UHFFFAOYSA-N 2 1 364.493 4.014 20 0 FIADMP Cc1nc2ccccn2c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000514744535 1089421936 /nfs/dbraw/zinc/42/19/36/1089421936.db2.gz CNELJYDTHCIKEW-GOSISDBHSA-N 2 1 354.542 4.119 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435369362 1089580041 /nfs/dbraw/zinc/58/00/41/1089580041.db2.gz DVZUXZMESFZNDK-RDJZCZTQSA-N 2 1 371.912 4.152 20 0 FIADMP Cc1ccccc1-c1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000518774372 1089611707 /nfs/dbraw/zinc/61/17/07/1089611707.db2.gz CSBASASDWBUHDI-UHFFFAOYSA-N 2 1 365.565 4.025 20 0 FIADMP c1cc(C[N@@H+](Cc2cnc3ccccc3c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435429686 1089647972 /nfs/dbraw/zinc/64/79/72/1089647972.db2.gz YNGSPHCHFLGAJG-NRFANRHFSA-N 2 1 363.530 4.441 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001625891370 1089758915 /nfs/dbraw/zinc/75/89/15/1089758915.db2.gz HGGKQQIHKCNGEN-GHTZIAJQSA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001625891370 1089758929 /nfs/dbraw/zinc/75/89/29/1089758929.db2.gz HGGKQQIHKCNGEN-GHTZIAJQSA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001625891370 1089758943 /nfs/dbraw/zinc/75/89/43/1089758943.db2.gz HGGKQQIHKCNGEN-GHTZIAJQSA-N 2 1 357.542 4.120 20 0 FIADMP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000435740909 1089918662 /nfs/dbraw/zinc/91/86/62/1089918662.db2.gz GSZGGXOFTVNJPG-LBZQVFOQSA-N 2 1 356.460 4.465 20 0 FIADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1)CC(C)C ZINC000415934745 1090005054 /nfs/dbraw/zinc/00/50/54/1090005054.db2.gz SAPWUUMRYMPOIP-UHFFFAOYSA-N 2 1 374.573 4.018 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000188103653 1090163912 /nfs/dbraw/zinc/16/39/12/1090163912.db2.gz KQFGBFMUDHNMIO-SNVBAGLBSA-N 2 1 365.237 4.213 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000236817361 1090262990 /nfs/dbraw/zinc/26/29/90/1090262990.db2.gz RVGMKBHMPIOAMS-OAHLLOKOSA-N 2 1 355.507 4.378 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000236817361 1090262995 /nfs/dbraw/zinc/26/29/95/1090262995.db2.gz RVGMKBHMPIOAMS-OAHLLOKOSA-N 2 1 355.507 4.378 20 0 FIADMP C[NH+](C)Cc1cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)ccc1Cl ZINC000416225031 1090263861 /nfs/dbraw/zinc/26/38/61/1090263861.db2.gz KFOQMKITXDKEKQ-LJQANCHMSA-N 2 1 359.901 4.033 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312366439 1090625897 /nfs/dbraw/zinc/62/58/97/1090625897.db2.gz ADSRSPXZJDBOSG-WZONZLPQSA-N 2 1 368.521 4.267 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000417920564 1090993959 /nfs/dbraw/zinc/99/39/59/1090993959.db2.gz CPYYDBAQEKLWOR-FPOVZHCZSA-N 2 1 369.578 4.311 20 0 FIADMP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000500086770 1091029587 /nfs/dbraw/zinc/02/95/87/1091029587.db2.gz DQTKVMDTCRIDQP-TZIWHRDSSA-N 2 1 361.574 4.031 20 0 FIADMP C[C@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500128398 1091056321 /nfs/dbraw/zinc/05/63/21/1091056321.db2.gz GPAFMYYTRFQGAA-OAHLLOKOSA-N 2 1 365.443 4.497 20 0 FIADMP C[C@H]1C[C@@H](NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519707 1091163026 /nfs/dbraw/zinc/16/30/26/1091163026.db2.gz FSMVHZYGHNLXAZ-URXFXBBRSA-N 2 1 365.565 4.151 20 0 FIADMP CCC[N@@H+](CCc1ccccc1F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000468763506 1091224005 /nfs/dbraw/zinc/22/40/05/1091224005.db2.gz ANDIGVDGSJLXKB-UHFFFAOYSA-N 2 1 370.516 4.156 20 0 FIADMP CCC[N@H+](CCc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000468763506 1091224014 /nfs/dbraw/zinc/22/40/14/1091224014.db2.gz ANDIGVDGSJLXKB-UHFFFAOYSA-N 2 1 370.516 4.156 20 0 FIADMP CCC[N@@H+](CCc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000468763506 1091224024 /nfs/dbraw/zinc/22/40/24/1091224024.db2.gz ANDIGVDGSJLXKB-UHFFFAOYSA-N 2 1 370.516 4.156 20 0 FIADMP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666935 1091379811 /nfs/dbraw/zinc/37/98/11/1091379811.db2.gz RDERSUAFSPEMLL-QFIPXVFZSA-N 2 1 352.522 4.223 20 0 FIADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666935 1091379823 /nfs/dbraw/zinc/37/98/23/1091379823.db2.gz RDERSUAFSPEMLL-QFIPXVFZSA-N 2 1 352.522 4.223 20 0 FIADMP c1nc([C@H]2CCCN(Cc3nsc4ccccc43)C2)n2c1CCCC2 ZINC000660481150 1091609412 /nfs/dbraw/zinc/60/94/12/1091609412.db2.gz JFQHQZYAYWDHQD-HNNXBMFYSA-N 2 1 352.507 4.209 20 0 FIADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069336 1091811115 /nfs/dbraw/zinc/81/11/15/1091811115.db2.gz OPLBRZOCYAKNHH-YADHBBJMSA-N 2 1 352.522 4.264 20 0 FIADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069336 1091811125 /nfs/dbraw/zinc/81/11/25/1091811125.db2.gz OPLBRZOCYAKNHH-YADHBBJMSA-N 2 1 352.522 4.264 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000512198695 1091897480 /nfs/dbraw/zinc/89/74/80/1091897480.db2.gz VVCYFJLUTCSJMC-GOSISDBHSA-N 2 1 370.516 4.160 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)CC1 ZINC000512198695 1091897488 /nfs/dbraw/zinc/89/74/88/1091897488.db2.gz VVCYFJLUTCSJMC-GOSISDBHSA-N 2 1 370.516 4.160 20 0 FIADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237460 1091945913 /nfs/dbraw/zinc/94/59/13/1091945913.db2.gz RJZZTCQVMSMWKO-ZEQRLZLVSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237460 1091945917 /nfs/dbraw/zinc/94/59/17/1091945917.db2.gz RJZZTCQVMSMWKO-ZEQRLZLVSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237460 1091945919 /nfs/dbraw/zinc/94/59/19/1091945919.db2.gz RJZZTCQVMSMWKO-ZEQRLZLVSA-N 2 1 364.533 4.362 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000512321809 1092035957 /nfs/dbraw/zinc/03/59/57/1092035957.db2.gz GSFMKCSWBYZQBO-OWCLPIDISA-N 2 1 364.505 4.147 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000512321809 1092035968 /nfs/dbraw/zinc/03/59/68/1092035968.db2.gz GSFMKCSWBYZQBO-OWCLPIDISA-N 2 1 364.505 4.147 20 0 FIADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1F ZINC000665259266 1092268371 /nfs/dbraw/zinc/26/83/71/1092268371.db2.gz ADXSOSQHWXOYCG-SKDZVZGDSA-N 2 1 370.459 4.083 20 0 FIADMP C[C@@H]1C[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012462 1092339761 /nfs/dbraw/zinc/33/97/61/1092339761.db2.gz ANVXJIAWGSJMRN-RMFSNUHRSA-N 2 1 357.586 4.408 20 0 FIADMP C[C@@H]1C[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012462 1092339774 /nfs/dbraw/zinc/33/97/74/1092339774.db2.gz ANVXJIAWGSJMRN-RMFSNUHRSA-N 2 1 357.586 4.408 20 0 FIADMP C[C@@H]1CC([NH2+][C@@H](CCO)c2ccc(F)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012515 1092341894 /nfs/dbraw/zinc/34/18/94/1092341894.db2.gz BHRVRYRTPBSTCE-PNCHPQGNSA-N 2 1 370.512 4.280 20 0 FIADMP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000520946898 1092368245 /nfs/dbraw/zinc/36/82/45/1092368245.db2.gz SUZAGEZVCYTLTC-UHFFFAOYSA-N 2 1 367.320 4.233 20 0 FIADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000665277186 1092505987 /nfs/dbraw/zinc/50/59/87/1092505987.db2.gz WEYUNZGNTFYORR-WWPVKYPJSA-N 2 1 361.533 4.023 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000521312892 1092636101 /nfs/dbraw/zinc/63/61/01/1092636101.db2.gz JAFJTTOFWLCFTG-UTKZUKDTSA-N 2 1 364.518 4.254 20 0 FIADMP COCCC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000442708426 1092734007 /nfs/dbraw/zinc/73/40/07/1092734007.db2.gz IZPKTUITCNFTLH-QHCPKHFHSA-N 2 1 370.512 4.331 20 0 FIADMP COCCC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000442708426 1092734015 /nfs/dbraw/zinc/73/40/15/1092734015.db2.gz IZPKTUITCNFTLH-QHCPKHFHSA-N 2 1 370.512 4.331 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794917 1092770464 /nfs/dbraw/zinc/77/04/64/1092770464.db2.gz SRLWHKPITAVWFB-JUXOCIIHSA-N 2 1 359.517 4.135 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794917 1092770473 /nfs/dbraw/zinc/77/04/73/1092770473.db2.gz SRLWHKPITAVWFB-JUXOCIIHSA-N 2 1 359.517 4.135 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442793814 1092770659 /nfs/dbraw/zinc/77/06/59/1092770659.db2.gz SDIHCFQJVHVAFX-MAUKXSAKSA-N 2 1 356.473 4.480 20 0 FIADMP COc1ccc([C@@H](CNc2cc[nH+]c3ccsc32)[NH+](C)C)cc1OC ZINC000443438636 1093131509 /nfs/dbraw/zinc/13/15/09/1093131509.db2.gz FTRKZPKMERJKNZ-MRXNPFEDSA-N 2 1 357.479 4.028 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018348 1093167316 /nfs/dbraw/zinc/16/73/16/1093167316.db2.gz CYYPDJYBYMFDCZ-WSEOTULYSA-N 2 1 364.533 4.066 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018348 1093167320 /nfs/dbraw/zinc/16/73/20/1093167320.db2.gz CYYPDJYBYMFDCZ-WSEOTULYSA-N 2 1 364.533 4.066 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918877 1093417451 /nfs/dbraw/zinc/41/74/51/1093417451.db2.gz NDBLIFCENKUOPO-MBBYRJAFSA-N 2 1 363.343 4.320 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[N@H+]1Cc1ccccc1 ZINC000433310820 1093565134 /nfs/dbraw/zinc/56/51/34/1093565134.db2.gz JRLAMZDTQVPBMZ-HKUYNNGSSA-N 2 1 364.493 4.060 20 0 FIADMP c1cc(-c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCCCCC3)o2)n[nH]1 ZINC000433328721 1093589212 /nfs/dbraw/zinc/58/92/12/1093589212.db2.gz SGCQMFNQXWEBCT-UHFFFAOYSA-N 2 1 364.493 4.336 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032955 1093680400 /nfs/dbraw/zinc/68/04/00/1093680400.db2.gz JEIIHMPSACKTBV-QRICJDHISA-N 2 1 364.533 4.269 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C1 ZINC000614387522 1093805118 /nfs/dbraw/zinc/80/51/18/1093805118.db2.gz JSIRMWSWZZCBGY-GOSISDBHSA-N 2 1 360.505 4.152 20 0 FIADMP c1cn2c([nH+]1)C[C@H](Nc1cc[nH+]c3ccc(Oc4ccccc4)cc13)CC2 ZINC000433782499 1094095293 /nfs/dbraw/zinc/09/52/93/1094095293.db2.gz JBEBBDGGYSJNLX-MRXNPFEDSA-N 2 1 356.429 4.072 20 0 FIADMP c1cn2c([nH+]1)C[C@@H](Nc1cc[nH+]c3ccc(Oc4ccccc4)cc13)CC2 ZINC000433782496 1094095831 /nfs/dbraw/zinc/09/58/31/1094095831.db2.gz JBEBBDGGYSJNLX-INIZCTEOSA-N 2 1 356.429 4.072 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513407691 1094105568 /nfs/dbraw/zinc/10/55/68/1094105568.db2.gz HFWFWQWIHNUXPR-ZBFHGGJFSA-N 2 1 351.332 4.192 20 0 FIADMP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1F ZINC000513494102 1094161885 /nfs/dbraw/zinc/16/18/85/1094161885.db2.gz FWRQSVDBGWEFFI-YLJYHZDGSA-N 2 1 356.485 4.225 20 0 FIADMP Cc1ccn2c(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cnc2c1 ZINC000513494346 1094162291 /nfs/dbraw/zinc/16/22/91/1094162291.db2.gz HONRAUYGRIUZEU-FPOVZHCZSA-N 2 1 362.521 4.033 20 0 FIADMP COc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1OC ZINC000513495747 1094163299 /nfs/dbraw/zinc/16/32/99/1094163299.db2.gz UPRKDIZMMIZCBM-UYAOXDASSA-N 2 1 368.521 4.094 20 0 FIADMP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000513501433 1094174276 /nfs/dbraw/zinc/17/42/76/1094174276.db2.gz SXWIVGYXQSOPIV-ICSRJNTNSA-N 2 1 368.521 4.094 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(OC(F)F)c1 ZINC000513698098 1094360189 /nfs/dbraw/zinc/36/01/89/1094360189.db2.gz WMFWQPFZIYRRRB-KSZLIROESA-N 2 1 368.468 4.039 20 0 FIADMP C[N@H+](Cc1cc(-c2ccccc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048843 1094454127 /nfs/dbraw/zinc/45/41/27/1094454127.db2.gz HMFFMXJHCNASGO-UHFFFAOYSA-N 2 1 362.477 4.085 20 0 FIADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039917 1094480811 /nfs/dbraw/zinc/48/08/11/1094480811.db2.gz IRQKWXRKYSKLLI-FQVVGKCUSA-N 2 1 357.586 4.136 20 0 FIADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039917 1094480817 /nfs/dbraw/zinc/48/08/17/1094480817.db2.gz IRQKWXRKYSKLLI-FQVVGKCUSA-N 2 1 357.586 4.136 20 0 FIADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC001168039917 1094480822 /nfs/dbraw/zinc/48/08/22/1094480822.db2.gz IRQKWXRKYSKLLI-FQVVGKCUSA-N 2 1 357.586 4.136 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000513707298 1094516317 /nfs/dbraw/zinc/51/63/17/1094516317.db2.gz BFJKHJSWQNVNAI-UHFFFAOYSA-N 2 1 365.521 4.178 20 0 FIADMP C[C@H]1CC([NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168041566 1094591557 /nfs/dbraw/zinc/59/15/57/1094591557.db2.gz TVKJWCBONPEYNY-CDNGDFIJSA-N 2 1 357.586 4.138 20 0 FIADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1 ZINC000474799241 1094617870 /nfs/dbraw/zinc/61/78/70/1094617870.db2.gz ODAVQANIDUXGQY-OALUTQOASA-N 2 1 374.569 4.200 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(OC(F)(F)F)cc1 ZINC000513713163 1094678017 /nfs/dbraw/zinc/67/80/17/1094678017.db2.gz LIARERYXPONPHT-CXAGYDPISA-N 2 1 355.404 4.467 20 0 FIADMP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000501405680 1094696525 /nfs/dbraw/zinc/69/65/25/1094696525.db2.gz LKUVGWQSRDWMBY-UHFFFAOYSA-N 2 1 352.522 4.054 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1 ZINC000501405055 1094697153 /nfs/dbraw/zinc/69/71/53/1094697153.db2.gz IIUMSDQXJUGOCI-XUZZJYLKSA-N 2 1 363.549 4.405 20 0 FIADMP Cc1cc(N2CCC([NH2+]C[C@H](c3ccccc3)C(C)C)CC2)nc(C)[nH+]1 ZINC000474878473 1094826832 /nfs/dbraw/zinc/82/68/32/1094826832.db2.gz NQYMVRKCGAAANO-NRFANRHFSA-N 2 1 352.526 4.092 20 0 FIADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC[C@@H]1CC[NH2+]C1 ZINC000420294170 1094853048 /nfs/dbraw/zinc/85/30/48/1094853048.db2.gz AUEAXIXJYNJELA-KRWDZBQOSA-N 2 1 359.489 4.125 20 0 FIADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420325007 1094888833 /nfs/dbraw/zinc/88/88/33/1094888833.db2.gz VXLMYNCVHAROPG-CQSZACIVSA-N 2 1 372.340 4.034 20 0 FIADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551457 1095134581 /nfs/dbraw/zinc/13/45/81/1095134581.db2.gz JBOGHZBVTSFAQJ-PZJWPPBQSA-N 2 1 351.538 4.003 20 0 FIADMP C[C@@H]1C[C@]1([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000420927663 1095170969 /nfs/dbraw/zinc/17/09/69/1095170969.db2.gz ADPLMPNKJZAEMS-VGOFRKELSA-N 2 1 370.924 4.197 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000420936412 1095174711 /nfs/dbraw/zinc/17/47/11/1095174711.db2.gz MWOHMECVRFOKMA-JOCHJYFZSA-N 2 1 356.485 4.145 20 0 FIADMP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420977070 1095220150 /nfs/dbraw/zinc/22/01/50/1095220150.db2.gz RMNZPNQJYDPVKA-FRQCXROJSA-N 2 1 370.459 4.070 20 0 FIADMP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420977070 1095220162 /nfs/dbraw/zinc/22/01/62/1095220162.db2.gz RMNZPNQJYDPVKA-FRQCXROJSA-N 2 1 370.459 4.070 20 0 FIADMP COC1CC[NH+](C2(CNc3cc[nH+]c4ccc(Cl)cc34)CCCC2)CC1 ZINC000513740486 1095293423 /nfs/dbraw/zinc/29/34/23/1095293423.db2.gz VTQXQNXYQVRJNH-UHFFFAOYSA-N 2 1 373.928 4.146 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000502274522 1095294717 /nfs/dbraw/zinc/29/47/17/1095294717.db2.gz NQCWDVIZCHCPTP-JOCHJYFZSA-N 2 1 368.521 4.351 20 0 FIADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000502469991 1095498822 /nfs/dbraw/zinc/49/88/22/1095498822.db2.gz DMCSBZQJLXXDDZ-GBESFXJTSA-N 2 1 374.569 4.186 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421321695 1095519969 /nfs/dbraw/zinc/51/99/69/1095519969.db2.gz CITHPQYHEVIXDP-GOSISDBHSA-N 2 1 352.526 4.097 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421321697 1095520654 /nfs/dbraw/zinc/52/06/54/1095520654.db2.gz CITHPQYHEVIXDP-SFHVURJKSA-N 2 1 352.526 4.097 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1)C1CCOCC1 ZINC000237201929 1095575643 /nfs/dbraw/zinc/57/56/43/1095575643.db2.gz WOKOTZJAHGNWFU-UHFFFAOYSA-N 2 1 374.569 4.235 20 0 FIADMP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281952748 1095777022 /nfs/dbraw/zinc/77/70/22/1095777022.db2.gz FRFGAJNLIKLSGC-JKSUJKDBSA-N 2 1 356.514 4.446 20 0 FIADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502880584 1095916081 /nfs/dbraw/zinc/91/60/81/1095916081.db2.gz QGNXQXUKYHZHSL-APWZRJJASA-N 2 1 350.934 4.087 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000421827991 1095940286 /nfs/dbraw/zinc/94/02/86/1095940286.db2.gz ALUMRHGBFMCODA-BXWFABGCSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000421827991 1095940290 /nfs/dbraw/zinc/94/02/90/1095940290.db2.gz ALUMRHGBFMCODA-BXWFABGCSA-N 2 1 368.949 4.136 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503074466 1096052295 /nfs/dbraw/zinc/05/22/95/1096052295.db2.gz KXUDUHLIHCNTJH-INIZCTEOSA-N 2 1 368.308 4.432 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000503074466 1096052305 /nfs/dbraw/zinc/05/23/05/1096052305.db2.gz KXUDUHLIHCNTJH-INIZCTEOSA-N 2 1 368.308 4.432 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000414654906 1096348074 /nfs/dbraw/zinc/34/80/74/1096348074.db2.gz KBDSMQLWQQNPNR-UHFFFAOYSA-N 2 1 360.505 4.079 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000414654328 1096350298 /nfs/dbraw/zinc/35/02/98/1096350298.db2.gz BYKPKUFMXQAMSH-OALUTQOASA-N 2 1 360.505 4.017 20 0 FIADMP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503428742 1096395097 /nfs/dbraw/zinc/39/50/97/1096395097.db2.gz HWXRJOBXUYDVNE-TZIWHRDSSA-N 2 1 353.510 4.177 20 0 FIADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000503560366 1096474073 /nfs/dbraw/zinc/47/40/73/1096474073.db2.gz VJDTVDVSUOPWCJ-LJQANCHMSA-N 2 1 353.510 4.088 20 0 FIADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000503560366 1096474080 /nfs/dbraw/zinc/47/40/80/1096474080.db2.gz VJDTVDVSUOPWCJ-LJQANCHMSA-N 2 1 353.510 4.088 20 0 FIADMP Clc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422736439 1096476338 /nfs/dbraw/zinc/47/63/38/1096476338.db2.gz YBASHGWPXSQQKO-HKUYNNGSSA-N 2 1 363.288 4.339 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422855851 1096505780 /nfs/dbraw/zinc/50/57/80/1096505780.db2.gz FLOWQKRUZOWOGW-MSOLQXFVSA-N 3 1 366.553 4.074 20 0 FIADMP FC(F)n1c(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc2ccccc21 ZINC000422913932 1096522095 /nfs/dbraw/zinc/52/20/95/1096522095.db2.gz RFXUGBIOFLVQHH-SJLPKXTDSA-N 2 1 370.447 4.057 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000422947778 1096536446 /nfs/dbraw/zinc/53/64/46/1096536446.db2.gz YVYCCFRYYRAIAE-VDGAXYAQSA-N 2 1 354.494 4.238 20 0 FIADMP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422987417 1096545839 /nfs/dbraw/zinc/54/58/39/1096545839.db2.gz GJRIAFXOJXHYTD-CWBXHPNXSA-N 2 1 350.506 4.207 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423040312 1096557278 /nfs/dbraw/zinc/55/72/78/1096557278.db2.gz GTVUZRFKYOVLKT-ZDUSSCGKSA-N 2 1 351.498 4.206 20 0 FIADMP C[C@H](CCCC[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414715608 1096564141 /nfs/dbraw/zinc/56/41/41/1096564141.db2.gz REZRSDHMZWEPOT-QGZVFWFLSA-N 2 1 360.546 4.090 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nn(CCC(C)C)c2ccccc12 ZINC000423151917 1096589008 /nfs/dbraw/zinc/58/90/08/1096589008.db2.gz KUMTVTKREPKUHU-MRXNPFEDSA-N 2 1 365.525 4.095 20 0 FIADMP Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423163033 1096598956 /nfs/dbraw/zinc/59/89/56/1096598956.db2.gz MEVQFNKXEAKPAR-PPQDBTBKSA-N 2 1 362.945 4.113 20 0 FIADMP Clc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCS2 ZINC000423181910 1096607386 /nfs/dbraw/zinc/60/73/86/1096607386.db2.gz DHNMWYHOMGUWGJ-SFHVURJKSA-N 2 1 361.942 4.432 20 0 FIADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423188382 1096611350 /nfs/dbraw/zinc/61/13/50/1096611350.db2.gz NPYZNRCAFYWVEK-MRXNPFEDSA-N 2 1 366.534 4.344 20 0 FIADMP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423190835 1096612523 /nfs/dbraw/zinc/61/25/23/1096612523.db2.gz RPQAPSWVAJPCMP-QGZVFWFLSA-N 2 1 350.293 4.145 20 0 FIADMP CSc1cccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2cc(F)ccc2F)c1 ZINC000423333100 1096649918 /nfs/dbraw/zinc/64/99/18/1096649918.db2.gz DTELFJNWYNCSRZ-FQEVSTJZSA-N 2 1 360.473 4.285 20 0 FIADMP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(C(F)(F)F)CC2)cc1F ZINC000423368775 1096658379 /nfs/dbraw/zinc/65/83/79/1096658379.db2.gz NMJCXBJYYAQNDD-GROLMSMHSA-N 2 1 362.386 4.121 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000423379380 1096660647 /nfs/dbraw/zinc/66/06/47/1096660647.db2.gz XKQRNUITONYMKA-WVZRYYJFSA-N 2 1 362.386 4.121 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC[NH2+]1 ZINC000423387591 1096664016 /nfs/dbraw/zinc/66/40/16/1096664016.db2.gz SOGBFEJHESTRII-AKWBHNSASA-N 2 1 357.723 4.284 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000423460426 1096689916 /nfs/dbraw/zinc/68/99/16/1096689916.db2.gz BEHXFKATCGGHPO-PTSWNOGYSA-N 2 1 360.448 4.017 20 0 FIADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000423463674 1096690381 /nfs/dbraw/zinc/69/03/81/1096690381.db2.gz LMLJZNCQXZXBPE-YGRLFVJLSA-N 2 1 368.344 4.269 20 0 FIADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000423463672 1096690669 /nfs/dbraw/zinc/69/06/69/1096690669.db2.gz LMLJZNCQXZXBPE-QMTHXVAHSA-N 2 1 368.344 4.269 20 0 FIADMP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cc(C)c(C)cc1C)c1ccccc1 ZINC000504162839 1096696582 /nfs/dbraw/zinc/69/65/82/1096696582.db2.gz OJTXIJPJCDPDIP-QHCPKHFHSA-N 2 1 354.538 4.411 20 0 FIADMP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cc(C)c(C)cc1C)c1ccccc1 ZINC000504162839 1096696587 /nfs/dbraw/zinc/69/65/87/1096696587.db2.gz OJTXIJPJCDPDIP-QHCPKHFHSA-N 2 1 354.538 4.411 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423506988 1096702397 /nfs/dbraw/zinc/70/23/97/1096702397.db2.gz JFWPHBDSZAOXDD-GBXCKJPGSA-N 2 1 365.565 4.152 20 0 FIADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000504561308 1096809300 /nfs/dbraw/zinc/80/93/00/1096809300.db2.gz QEHXJOLGJMJAKL-QFIPXVFZSA-N 2 1 371.569 4.055 20 0 FIADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000504561308 1096809309 /nfs/dbraw/zinc/80/93/09/1096809309.db2.gz QEHXJOLGJMJAKL-QFIPXVFZSA-N 2 1 371.569 4.055 20 0 FIADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000504561308 1096809319 /nfs/dbraw/zinc/80/93/19/1096809319.db2.gz QEHXJOLGJMJAKL-QFIPXVFZSA-N 2 1 371.569 4.055 20 0 FIADMP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245659145 1098559722 /nfs/dbraw/zinc/55/97/22/1098559722.db2.gz FFYUUPVNAWSSOJ-KOUNCHBCSA-N 3 1 355.570 4.035 20 0 FIADMP CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245659144 1098560373 /nfs/dbraw/zinc/56/03/73/1098560373.db2.gz FFYUUPVNAWSSOJ-DKUWSORSSA-N 3 1 355.570 4.035 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000532971453 1098639892 /nfs/dbraw/zinc/63/98/92/1098639892.db2.gz HYCDITRDHSKLMN-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000532971453 1098639900 /nfs/dbraw/zinc/63/99/00/1098639900.db2.gz HYCDITRDHSKLMN-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000532971453 1098639905 /nfs/dbraw/zinc/63/99/05/1098639905.db2.gz HYCDITRDHSKLMN-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000532971453 1098639910 /nfs/dbraw/zinc/63/99/10/1098639910.db2.gz HYCDITRDHSKLMN-OALUTQOASA-N 2 1 365.521 4.274 20 0 FIADMP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414876753 1098659735 /nfs/dbraw/zinc/65/97/35/1098659735.db2.gz KXTGFBBGTPDZBO-UHFFFAOYSA-N 2 1 361.489 4.027 20 0 FIADMP c1[nH+]c(C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)n2c1CCCC2 ZINC000425476777 1098768949 /nfs/dbraw/zinc/76/89/49/1098768949.db2.gz MAAADYMOKGLYHB-UHFFFAOYSA-N 2 1 373.504 4.056 20 0 FIADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)[N@@H+](C)Cc1ccccc1 ZINC000436241882 1098848060 /nfs/dbraw/zinc/84/80/60/1098848060.db2.gz LDPABSNTHJOYCT-INIZCTEOSA-N 2 1 354.523 4.138 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000533310608 1098946214 /nfs/dbraw/zinc/94/62/14/1098946214.db2.gz CPVQZTLISUAYCY-DYESRHJHSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000533310608 1098946216 /nfs/dbraw/zinc/94/62/16/1098946216.db2.gz CPVQZTLISUAYCY-DYESRHJHSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310608 1098946217 /nfs/dbraw/zinc/94/62/17/1098946217.db2.gz CPVQZTLISUAYCY-DYESRHJHSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310608 1098946220 /nfs/dbraw/zinc/94/62/20/1098946220.db2.gz CPVQZTLISUAYCY-DYESRHJHSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000533310609 1098946468 /nfs/dbraw/zinc/94/64/68/1098946468.db2.gz CPVQZTLISUAYCY-LAUBAEHRSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000533310609 1098946473 /nfs/dbraw/zinc/94/64/73/1098946473.db2.gz CPVQZTLISUAYCY-LAUBAEHRSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310609 1098946475 /nfs/dbraw/zinc/94/64/75/1098946475.db2.gz CPVQZTLISUAYCY-LAUBAEHRSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)CC[NH+]1C ZINC000533310609 1098946477 /nfs/dbraw/zinc/94/64/77/1098946477.db2.gz CPVQZTLISUAYCY-LAUBAEHRSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436403974 1098993135 /nfs/dbraw/zinc/99/31/35/1098993135.db2.gz AUWJAMPAECOLIU-AEFFLSMTSA-N 2 1 351.469 4.307 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cncc(Br)c1 ZINC000578084184 1099304574 /nfs/dbraw/zinc/30/45/74/1099304574.db2.gz RWAJOSHBODEEOV-GJZGRUSLSA-N 2 1 354.336 4.149 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(OC)cc3)CC2)cs1 ZINC000161791673 1099538734 /nfs/dbraw/zinc/53/87/34/1099538734.db2.gz RTYHPBVIXSPLOP-MRXNPFEDSA-N 2 1 373.566 4.277 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](Cc3ccc(F)cc3)C(C)C)CC2)nc(C)[nH+]1 ZINC000162273148 1099672358 /nfs/dbraw/zinc/67/23/58/1099672358.db2.gz UDNQLVIKWSZXOI-OAQYLSRUSA-N 2 1 370.516 4.058 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508698486 1099830864 /nfs/dbraw/zinc/83/08/64/1099830864.db2.gz OPJHTDOSPOBOBW-DENIHFKCSA-N 2 1 352.522 4.046 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508698587 1099831790 /nfs/dbraw/zinc/83/17/90/1099831790.db2.gz PFBMYGOQBZXOLX-UYAOXDASSA-N 2 1 357.567 4.274 20 0 FIADMP C[C@@]1(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CCC[NH2+]C1 ZINC000414902711 1099857382 /nfs/dbraw/zinc/85/73/82/1099857382.db2.gz HJQBNMYXDNYWRB-OAQYLSRUSA-N 2 1 371.912 4.072 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702102 1099857529 /nfs/dbraw/zinc/85/75/29/1099857529.db2.gz YNXRTPFAKIXUMC-GGPKGHCWSA-N 2 1 356.485 4.093 20 0 FIADMP CCOCCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000508703571 1099858310 /nfs/dbraw/zinc/85/83/10/1099858310.db2.gz YWTAGFDSYRTLEB-UNMCSNQZSA-N 2 1 358.570 4.474 20 0 FIADMP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714331 1099882939 /nfs/dbraw/zinc/88/29/39/1099882939.db2.gz GZLDRXFFPUILJB-QWFCFKBJSA-N 2 1 356.485 4.093 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cccn2)c1 ZINC000508712665 1099902695 /nfs/dbraw/zinc/90/26/95/1099902695.db2.gz RMVOUBRDVSVNQI-JTAQYXEDSA-N 2 1 374.532 4.434 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508713223 1099903835 /nfs/dbraw/zinc/90/38/35/1099903835.db2.gz SNXXPCITWGCKPE-KNQAVFIVSA-N 2 1 352.522 4.128 20 0 FIADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000508712287 1099904041 /nfs/dbraw/zinc/90/40/41/1099904041.db2.gz QLRNQJPADKUIMM-DPLHUUCSSA-N 2 1 366.549 4.340 20 0 FIADMP Fc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1F ZINC000516969980 1099961742 /nfs/dbraw/zinc/96/17/42/1099961742.db2.gz PQMHJKFQBOASSU-IBGZPJMESA-N 2 1 356.460 4.294 20 0 FIADMP Fc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1F ZINC000516969980 1099961744 /nfs/dbraw/zinc/96/17/44/1099961744.db2.gz PQMHJKFQBOASSU-IBGZPJMESA-N 2 1 356.460 4.294 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162728911 1099976235 /nfs/dbraw/zinc/97/62/35/1099976235.db2.gz ZCMJUNFSGIFNET-QGZVFWFLSA-N 2 1 355.526 4.417 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC(C)(C)Cc4occc43)CC2)oc1C ZINC000162742559 1099981095 /nfs/dbraw/zinc/98/10/95/1099981095.db2.gz UPVGNKSPJNLLBW-IBGZPJMESA-N 2 1 371.525 4.400 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C)cc3C)CC2)oc1C ZINC000162766101 1099995610 /nfs/dbraw/zinc/99/56/10/1099995610.db2.gz DCZHCFMYLAPLPJ-GOSISDBHSA-N 2 1 355.526 4.471 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3c4cc(F)ccc4C[C@@H]3C)CC2)oc1C ZINC000162797045 1100010575 /nfs/dbraw/zinc/01/05/75/1100010575.db2.gz JJFYXHRCOWOTCH-FPTDNZKUSA-N 2 1 371.500 4.166 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000459419269 1100126093 /nfs/dbraw/zinc/12/60/93/1100126093.db2.gz DWAJCCPMUNWRQU-UHFFFAOYSA-N 2 1 372.582 4.468 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659685 1100129926 /nfs/dbraw/zinc/12/99/26/1100129926.db2.gz RLSRDSMMULFLMU-UYAOXDASSA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659685 1100129982 /nfs/dbraw/zinc/12/99/82/1100129982.db2.gz RLSRDSMMULFLMU-UYAOXDASSA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659685 1100129996 /nfs/dbraw/zinc/12/99/96/1100129996.db2.gz RLSRDSMMULFLMU-UYAOXDASSA-N 2 1 353.510 4.487 20 0 FIADMP CC[N@@H+](Cc1cccc(O)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000536672841 1100158671 /nfs/dbraw/zinc/15/86/71/1100158671.db2.gz SVOHBKJSLJFFLU-UHFFFAOYSA-N 2 1 368.525 4.105 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379619200 1100218333 /nfs/dbraw/zinc/21/83/33/1100218333.db2.gz BCYMFPDNAKCYGZ-HBFSDRIKSA-N 2 1 368.521 4.408 20 0 FIADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379619200 1100218342 /nfs/dbraw/zinc/21/83/42/1100218342.db2.gz BCYMFPDNAKCYGZ-HBFSDRIKSA-N 2 1 368.521 4.408 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC ZINC000379622232 1100223612 /nfs/dbraw/zinc/22/36/12/1100223612.db2.gz GJFYEUBHJMBWOK-RXVVDRJESA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC ZINC000379622232 1100223620 /nfs/dbraw/zinc/22/36/20/1100223620.db2.gz GJFYEUBHJMBWOK-RXVVDRJESA-N 2 1 368.521 4.237 20 0 FIADMP CC[N@H+](Cc1cccc(COC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536708662 1100225416 /nfs/dbraw/zinc/22/54/16/1100225416.db2.gz LZGMJIAPVFEFMJ-HSZRJFAPSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1cccc(COC)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536708662 1100225426 /nfs/dbraw/zinc/22/54/26/1100225426.db2.gz LZGMJIAPVFEFMJ-HSZRJFAPSA-N 2 1 352.522 4.177 20 0 FIADMP CC[NH+](Cc1cccc(COC)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536708662 1100225441 /nfs/dbraw/zinc/22/54/41/1100225441.db2.gz LZGMJIAPVFEFMJ-HSZRJFAPSA-N 2 1 352.522 4.177 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000379650243 1100259820 /nfs/dbraw/zinc/25/98/20/1100259820.db2.gz RGMJKIXBVXBMPS-APWZRJJASA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000379650243 1100259832 /nfs/dbraw/zinc/25/98/32/1100259832.db2.gz RGMJKIXBVXBMPS-APWZRJJASA-N 2 1 360.448 4.431 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379642378 1100263867 /nfs/dbraw/zinc/26/38/67/1100263867.db2.gz DVJXLMHAHCOXRH-OFNKIYASSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379642378 1100263883 /nfs/dbraw/zinc/26/38/83/1100263883.db2.gz DVJXLMHAHCOXRH-OFNKIYASSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379642382 1100264254 /nfs/dbraw/zinc/26/42/54/1100264254.db2.gz DVJXLMHAHCOXRH-REWPJTCUSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379642382 1100264268 /nfs/dbraw/zinc/26/42/68/1100264268.db2.gz DVJXLMHAHCOXRH-REWPJTCUSA-N 2 1 363.549 4.298 20 0 FIADMP c1cn(CC[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000459528959 1100276053 /nfs/dbraw/zinc/27/60/53/1100276053.db2.gz ROIRVIOMHWELIE-HSZRJFAPSA-N 2 1 366.553 4.040 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000536859466 1100376238 /nfs/dbraw/zinc/37/62/38/1100376238.db2.gz UYNXXYJSRUBJBP-OWCLPIDISA-N 2 1 374.447 4.125 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000425942824 1100379366 /nfs/dbraw/zinc/37/93/66/1100379366.db2.gz GVOAAJMHIHASFF-IEBWSBKVSA-N 2 1 370.562 4.116 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000425942824 1100379377 /nfs/dbraw/zinc/37/93/77/1100379377.db2.gz GVOAAJMHIHASFF-IEBWSBKVSA-N 2 1 370.562 4.116 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2)CC1)CC(C)C ZINC000536885228 1100411258 /nfs/dbraw/zinc/41/12/58/1100411258.db2.gz KBGVVIGFBLEFLD-UHFFFAOYSA-N 2 1 359.558 4.095 20 0 FIADMP COC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000425951344 1100454237 /nfs/dbraw/zinc/45/42/37/1100454237.db2.gz PGKIPJVQENZMAM-UHFFFAOYSA-N 2 1 372.553 4.273 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000467366035 1100473725 /nfs/dbraw/zinc/47/37/25/1100473725.db2.gz UATJOYPVGKLMNT-OPAMFIHVSA-N 2 1 353.485 4.487 20 0 FIADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)oc2c1 ZINC000426044808 1100720396 /nfs/dbraw/zinc/72/03/96/1100720396.db2.gz ANCPXUSLGJPDPL-FFZOFVMBSA-N 2 1 356.510 4.160 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C2 ZINC000426058617 1100744161 /nfs/dbraw/zinc/74/41/61/1100744161.db2.gz MIOYIDMPHTVWIB-FGSXEWAUSA-N 2 1 370.562 4.287 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000426058617 1100744163 /nfs/dbraw/zinc/74/41/63/1100744163.db2.gz MIOYIDMPHTVWIB-FGSXEWAUSA-N 2 1 370.562 4.287 20 0 FIADMP Cc1nc(COc2ccc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc2)cs1 ZINC000506328058 1100862351 /nfs/dbraw/zinc/86/23/51/1100862351.db2.gz SEQBSZKANBMPNK-UHFFFAOYSA-N 2 1 373.566 4.335 20 0 FIADMP Cc1nc(COc2ccc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc2)cs1 ZINC000506328058 1100862363 /nfs/dbraw/zinc/86/23/63/1100862363.db2.gz SEQBSZKANBMPNK-UHFFFAOYSA-N 2 1 373.566 4.335 20 0 FIADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000414943863 1100870529 /nfs/dbraw/zinc/87/05/29/1100870529.db2.gz FVMBVWSLGGSRDH-HNAYVOBHSA-N 2 1 374.912 4.158 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2-n2ccnc2)CC1 ZINC000438826387 1100948198 /nfs/dbraw/zinc/94/81/98/1100948198.db2.gz NCJQRSVUOBUDJZ-UHFFFAOYSA-N 2 1 374.532 4.405 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474822 1101110253 /nfs/dbraw/zinc/11/02/53/1101110253.db2.gz PXTYZQOUHOMEBV-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474822 1101110257 /nfs/dbraw/zinc/11/02/57/1101110257.db2.gz PXTYZQOUHOMEBV-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474822 1101110263 /nfs/dbraw/zinc/11/02/63/1101110263.db2.gz PXTYZQOUHOMEBV-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000506474822 1101110288 /nfs/dbraw/zinc/11/02/88/1101110288.db2.gz PXTYZQOUHOMEBV-FUHWJXTLSA-N 2 1 352.469 4.374 20 0 FIADMP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000352 1101388137 /nfs/dbraw/zinc/38/81/37/1101388137.db2.gz BKSROJDXAQVPRI-XXBNENTESA-N 2 1 352.497 4.431 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc3ccccc3nc2C)cc1 ZINC000183685840 1101631188 /nfs/dbraw/zinc/63/11/88/1101631188.db2.gz JEQJXBWNAXTXBT-HNNXBMFYSA-N 2 1 357.461 4.283 20 0 FIADMP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426508204 1101815531 /nfs/dbraw/zinc/81/55/31/1101815531.db2.gz HEVPONSEUGFSOL-HXUWFJFHSA-N 2 1 370.884 4.049 20 0 FIADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426508204 1101815546 /nfs/dbraw/zinc/81/55/46/1101815546.db2.gz HEVPONSEUGFSOL-HXUWFJFHSA-N 2 1 370.884 4.049 20 0 FIADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368355 1101938030 /nfs/dbraw/zinc/93/80/30/1101938030.db2.gz KFYJXOZIPMGACW-BBWFWOEESA-N 2 1 350.934 4.222 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000519355077 1102141301 /nfs/dbraw/zinc/14/13/01/1102141301.db2.gz IMSRLUGQSHZZMK-HNNXBMFYSA-N 2 1 360.299 4.062 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000120597877 1102238648 /nfs/dbraw/zinc/23/86/48/1102238648.db2.gz BOZVSYSTOPQQCK-LJQANCHMSA-N 2 1 365.481 4.249 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000120597877 1102238660 /nfs/dbraw/zinc/23/86/60/1102238660.db2.gz BOZVSYSTOPQQCK-LJQANCHMSA-N 2 1 365.481 4.249 20 0 FIADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000537630879 1102255293 /nfs/dbraw/zinc/25/52/93/1102255293.db2.gz GKTYGKUMKXUPTB-RXVVDRJESA-N 2 1 368.521 4.189 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000532446886 1102339749 /nfs/dbraw/zinc/33/97/49/1102339749.db2.gz AFZURNBTLDXIPE-GCJKJVERSA-N 2 1 365.521 4.035 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000532446886 1102339762 /nfs/dbraw/zinc/33/97/62/1102339762.db2.gz AFZURNBTLDXIPE-GCJKJVERSA-N 2 1 365.521 4.035 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000040622757 1102344545 /nfs/dbraw/zinc/34/45/45/1102344545.db2.gz MCSMFMHUERKZJO-MXWWQKGMSA-N 2 1 351.332 4.015 20 0 FIADMP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000519538988 1102365210 /nfs/dbraw/zinc/36/52/10/1102365210.db2.gz LPIUDSLAYWCMMO-MSOLQXFVSA-N 2 1 365.521 4.011 20 0 FIADMP COc1ccc2cccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c2c1 ZINC001167969358 1102375185 /nfs/dbraw/zinc/37/51/85/1102375185.db2.gz BKIAVRCVKURRMW-FRIKZZABSA-N 2 1 364.533 4.386 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000121320997 1102380443 /nfs/dbraw/zinc/38/04/43/1102380443.db2.gz XZUPIWLGCNBSMF-UHFFFAOYSA-N 2 1 354.473 4.472 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000532529780 1102446207 /nfs/dbraw/zinc/44/62/07/1102446207.db2.gz NUVBBKPRJOFKEF-IAGOWNOFSA-N 2 1 365.477 4.307 20 0 FIADMP CC1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001168212878 1102490292 /nfs/dbraw/zinc/49/02/92/1102490292.db2.gz SVALUDBSRCKIHP-ACBHZAAOSA-N 2 1 362.583 4.382 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000122262055 1102552334 /nfs/dbraw/zinc/55/23/34/1102552334.db2.gz BKZJOCHTPBGYPD-BEVDRBHNSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000122262055 1102552339 /nfs/dbraw/zinc/55/23/39/1102552339.db2.gz BKZJOCHTPBGYPD-BEVDRBHNSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000122289661 1102556401 /nfs/dbraw/zinc/55/64/01/1102556401.db2.gz PSAYFFUNYDGQKV-RYRKJORJSA-N 2 1 350.572 4.024 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000122410106 1102574699 /nfs/dbraw/zinc/57/46/99/1102574699.db2.gz BWIUMEVWPXMYLL-XMSQKQJNSA-N 2 1 372.553 4.114 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCc3ccc(C(C)C)cc3)CC2)oc1C ZINC000122411438 1102574991 /nfs/dbraw/zinc/57/49/91/1102574991.db2.gz HOSQVIOAHDFZAE-UHFFFAOYSA-N 2 1 369.553 4.459 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000532629044 1102605602 /nfs/dbraw/zinc/60/56/02/1102605602.db2.gz JJAXYCAJXWPYBC-CYBMUJFWSA-N 2 1 357.311 4.359 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000125144555 1102672127 /nfs/dbraw/zinc/67/21/27/1102672127.db2.gz CDWMAEUUGCCMLZ-XWXLMPLOSA-N 2 1 370.562 4.300 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccc3c(c2)CCO3)CC1 ZINC000550902112 1102679097 /nfs/dbraw/zinc/67/90/97/1102679097.db2.gz FSGWOCSTITZOCE-UHFFFAOYSA-N 2 1 364.533 4.197 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000550920873 1102693292 /nfs/dbraw/zinc/69/32/92/1102693292.db2.gz KNXFAHPULJPWOS-FDTLVRFQSA-N 2 1 368.565 4.367 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000046 1102763560 /nfs/dbraw/zinc/76/35/60/1102763560.db2.gz HKNNDUXQPLBFJT-VLCRHTCISA-N 2 1 371.956 4.368 20 0 FIADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000551000046 1102763574 /nfs/dbraw/zinc/76/35/74/1102763574.db2.gz HKNNDUXQPLBFJT-VLCRHTCISA-N 2 1 371.956 4.368 20 0 FIADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271813 1102904506 /nfs/dbraw/zinc/90/45/06/1102904506.db2.gz XIMBYRNLJCAVDM-VXKWHMMOSA-N 2 1 370.581 4.474 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000536626287 1102933835 /nfs/dbraw/zinc/93/38/35/1102933835.db2.gz WUPLGZZKPAXHPY-VCBZYWHSSA-N 2 1 356.913 4.267 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000536626287 1102933837 /nfs/dbraw/zinc/93/38/37/1102933837.db2.gz WUPLGZZKPAXHPY-VCBZYWHSSA-N 2 1 356.913 4.267 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175389 1102948264 /nfs/dbraw/zinc/94/82/64/1102948264.db2.gz IGXVCXLKQKSYQB-JRGCBEDISA-N 2 1 354.469 4.247 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175389 1102948268 /nfs/dbraw/zinc/94/82/68/1102948268.db2.gz IGXVCXLKQKSYQB-JRGCBEDISA-N 2 1 354.469 4.247 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000551174793 1102948862 /nfs/dbraw/zinc/94/88/62/1102948862.db2.gz DNYDGNDSBRXOCU-VXKWHMMOSA-N 2 1 352.522 4.497 20 0 FIADMP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000551174793 1102948865 /nfs/dbraw/zinc/94/88/65/1102948865.db2.gz DNYDGNDSBRXOCU-VXKWHMMOSA-N 2 1 352.522 4.497 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000551197992 1102975334 /nfs/dbraw/zinc/97/53/34/1102975334.db2.gz KKPWYXRRCUFTOH-WBADGQHESA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000551197992 1102975339 /nfs/dbraw/zinc/97/53/39/1102975339.db2.gz KKPWYXRRCUFTOH-WBADGQHESA-N 2 1 350.506 4.332 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000551197990 1102975659 /nfs/dbraw/zinc/97/56/59/1102975659.db2.gz KKPWYXRRCUFTOH-GSPCLOLRSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000551197990 1102975661 /nfs/dbraw/zinc/97/56/61/1102975661.db2.gz KKPWYXRRCUFTOH-GSPCLOLRSA-N 2 1 350.506 4.332 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccc2)c1 ZINC000537698601 1102985057 /nfs/dbraw/zinc/98/50/57/1102985057.db2.gz UVUQYQDHWMJRFK-DNVJHFABSA-N 2 1 350.506 4.037 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476977265 1102990259 /nfs/dbraw/zinc/99/02/59/1102990259.db2.gz ADJLRLLHXOXGOR-LJQANCHMSA-N 2 1 371.569 4.164 20 0 FIADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476977265 1102990264 /nfs/dbraw/zinc/99/02/64/1102990264.db2.gz ADJLRLLHXOXGOR-LJQANCHMSA-N 2 1 371.569 4.164 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@H]1c1ccccc1 ZINC000551264152 1103021581 /nfs/dbraw/zinc/02/15/81/1103021581.db2.gz IEDSLTPKQNKORE-OALUTQOASA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@H]1c1ccccc1 ZINC000551264152 1103021597 /nfs/dbraw/zinc/02/15/97/1103021597.db2.gz IEDSLTPKQNKORE-OALUTQOASA-N 2 1 363.427 4.068 20 0 FIADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263642 1103022393 /nfs/dbraw/zinc/02/23/93/1103022393.db2.gz DDUREAVJZFVRRR-KNQAVFIVSA-N 2 1 356.554 4.084 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000551270089 1103030875 /nfs/dbraw/zinc/03/08/75/1103030875.db2.gz KTORZXXQLMZOPE-CEXWTWQISA-N 2 1 367.537 4.419 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)ccn1 ZINC000551288673 1103048200 /nfs/dbraw/zinc/04/82/00/1103048200.db2.gz UWGFAMSFTCUGLW-KRWDZBQOSA-N 2 1 365.477 4.166 20 0 FIADMP COc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1Br ZINC000315152669 1103178790 /nfs/dbraw/zinc/17/87/90/1103178790.db2.gz YSVQBOGFRLSFET-UHFFFAOYSA-N 2 1 369.347 4.202 20 0 FIADMP COc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1Br ZINC000315152669 1103178796 /nfs/dbraw/zinc/17/87/96/1103178796.db2.gz YSVQBOGFRLSFET-UHFFFAOYSA-N 2 1 369.347 4.202 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(C)o1 ZINC000507452921 1103399384 /nfs/dbraw/zinc/39/93/84/1103399384.db2.gz YPDGBRPHSZQEMA-YSFYHYPLSA-N 2 1 368.521 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(C)o1 ZINC000507452921 1103399403 /nfs/dbraw/zinc/39/94/03/1103399403.db2.gz YPDGBRPHSZQEMA-YSFYHYPLSA-N 2 1 368.521 4.166 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1COc2ccccc21 ZINC000507485309 1103433244 /nfs/dbraw/zinc/43/32/44/1103433244.db2.gz LKOTXXATFBUPDU-CJTHLSDLSA-N 2 1 362.517 4.051 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCO2 ZINC000507515406 1103455912 /nfs/dbraw/zinc/45/59/12/1103455912.db2.gz UVSVHMBVPJQYGO-ZHNGQKSSSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCO2 ZINC000507515406 1103455919 /nfs/dbraw/zinc/45/59/19/1103455919.db2.gz UVSVHMBVPJQYGO-ZHNGQKSSSA-N 2 1 366.480 4.150 20 0 FIADMP c1cc([C@H]2CCCN2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694060 1103520464 /nfs/dbraw/zinc/52/04/64/1103520464.db2.gz MEHWZFHOXSPPQN-LEWJYISDSA-N 2 1 356.535 4.176 20 0 FIADMP c1cc([C@H]2CCCN2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000551694060 1103520473 /nfs/dbraw/zinc/52/04/73/1103520473.db2.gz MEHWZFHOXSPPQN-LEWJYISDSA-N 2 1 356.535 4.176 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187996971 1103732965 /nfs/dbraw/zinc/73/29/65/1103732965.db2.gz QVUGGMKIAPWIIX-IGCXYCKISA-N 2 1 358.423 4.194 20 0 FIADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1cccc(F)c1 ZINC000188001587 1103734994 /nfs/dbraw/zinc/73/49/94/1103734994.db2.gz AAONMSKJPJWWLZ-FQEVSTJZSA-N 2 1 359.489 4.383 20 0 FIADMP Clc1ccc(SCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397529 1104330286 /nfs/dbraw/zinc/33/02/86/1104330286.db2.gz WSNYSMXVGLJFSA-HNAYVOBHSA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397529 1104330298 /nfs/dbraw/zinc/33/02/98/1104330298.db2.gz WSNYSMXVGLJFSA-HNAYVOBHSA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397529 1104330309 /nfs/dbraw/zinc/33/03/09/1104330309.db2.gz WSNYSMXVGLJFSA-HNAYVOBHSA-N 2 1 350.959 4.381 20 0 FIADMP FC(F)(F)Oc1cccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441404532 1104344434 /nfs/dbraw/zinc/34/44/34/1104344434.db2.gz SWRMFXUHNWBXTA-APWZRJJASA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404532 1104344445 /nfs/dbraw/zinc/34/44/45/1104344445.db2.gz SWRMFXUHNWBXTA-APWZRJJASA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)Oc1cccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404532 1104344456 /nfs/dbraw/zinc/34/44/56/1104344456.db2.gz SWRMFXUHNWBXTA-APWZRJJASA-N 2 1 368.443 4.076 20 0 FIADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000112517334 1104373602 /nfs/dbraw/zinc/37/36/02/1104373602.db2.gz OCERVABGXYWJPC-INIZCTEOSA-N 2 1 374.912 4.032 20 0 FIADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)cc1 ZINC000536302058 1104636133 /nfs/dbraw/zinc/63/61/33/1104636133.db2.gz JNTSBWPSVTWULQ-HXUWFJFHSA-N 2 1 362.477 4.135 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000189274377 1104792305 /nfs/dbraw/zinc/79/23/05/1104792305.db2.gz DDSJVIPPFHBSPC-IFMALSPDSA-N 2 1 364.537 4.063 20 0 FIADMP COc1cccc([C@@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168001647 1104934927 /nfs/dbraw/zinc/93/49/27/1104934927.db2.gz FTKUVAOUMRSJAP-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP COc1cccc([C@@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168001647 1104934928 /nfs/dbraw/zinc/93/49/28/1104934928.db2.gz FTKUVAOUMRSJAP-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP COc1cccc([C@@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001168001647 1104934931 /nfs/dbraw/zinc/93/49/31/1104934931.db2.gz FTKUVAOUMRSJAP-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP COc1cccc([C@@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001168001647 1104934935 /nfs/dbraw/zinc/93/49/35/1104934935.db2.gz FTKUVAOUMRSJAP-CZJMCEMMSA-N 2 1 372.578 4.191 20 0 FIADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507772686 1104959472 /nfs/dbraw/zinc/95/94/72/1104959472.db2.gz HPUMJZGQGSOTLP-SFHVURJKSA-N 2 1 370.512 4.017 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000520604396 1105036592 /nfs/dbraw/zinc/03/65/92/1105036592.db2.gz RIDNRMLYUZGZIB-ICSRJNTNSA-N 2 1 360.505 4.159 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000520604396 1105036596 /nfs/dbraw/zinc/03/65/96/1105036596.db2.gz RIDNRMLYUZGZIB-ICSRJNTNSA-N 2 1 360.505 4.159 20 0 FIADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152370953 1105057184 /nfs/dbraw/zinc/05/71/84/1105057184.db2.gz OQORAKVVXMZLFL-HIFRSBDPSA-N 2 1 359.514 4.393 20 0 FIADMP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394376 1105075289 /nfs/dbraw/zinc/07/52/89/1105075289.db2.gz QEVKVYHOLCHCOX-YJBOKZPZSA-N 2 1 353.535 4.261 20 0 FIADMP Cc1ccn2c(C[NH2+]C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)cnc2c1 ZINC001168006816 1105119127 /nfs/dbraw/zinc/11/91/27/1105119127.db2.gz PEQBUMIEUKHOMV-RTBURBONSA-N 2 1 362.521 4.174 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000536475444 1105156274 /nfs/dbraw/zinc/15/62/74/1105156274.db2.gz GPMQUEKKANTBQD-UHFFFAOYSA-N 2 1 350.304 4.255 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC000536475444 1105156280 /nfs/dbraw/zinc/15/62/80/1105156280.db2.gz GPMQUEKKANTBQD-UHFFFAOYSA-N 2 1 350.304 4.255 20 0 FIADMP Cc1cccc2ncc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC001168008291 1105178636 /nfs/dbraw/zinc/17/86/36/1105178636.db2.gz XCCSUWASVXAKNT-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP Cc1cccc2ncc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)n21 ZINC001168008291 1105178641 /nfs/dbraw/zinc/17/86/41/1105178641.db2.gz XCCSUWASVXAKNT-CEQLMSFQSA-N 2 1 362.521 4.174 20 0 FIADMP Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccncc3OCCC[NH+](C)C)oc2c1 ZINC000579639455 1105223221 /nfs/dbraw/zinc/22/32/21/1105223221.db2.gz OUVZDYPHHDPBFJ-QGZVFWFLSA-N 2 1 367.493 4.318 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000530330311 1106971003 /nfs/dbraw/zinc/97/10/03/1106971003.db2.gz ATPKCPQWIOPLIX-HIFRSBDPSA-N 2 1 369.987 4.102 20 0 FIADMP C[C@@H]1C[N@@H+](CCC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@H](C)O1 ZINC000301513193 1107054794 /nfs/dbraw/zinc/05/47/94/1107054794.db2.gz BGURYMMSCUWKFM-IYBDPMFKSA-N 2 1 359.539 4.012 20 0 FIADMP C[C@@H]1C[N@H+](CCC2CCN(c3cc[nH+]c4ccsc43)CC2)C[C@H](C)O1 ZINC000301513193 1107054807 /nfs/dbraw/zinc/05/48/07/1107054807.db2.gz BGURYMMSCUWKFM-IYBDPMFKSA-N 2 1 359.539 4.012 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000530460364 1107055546 /nfs/dbraw/zinc/05/55/46/1107055546.db2.gz NNYBAAMBJSHBCL-MRXNPFEDSA-N 2 1 372.925 4.407 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662501 1107234880 /nfs/dbraw/zinc/23/48/80/1107234880.db2.gz PANMIBQPRIECOQ-XMSQKQJNSA-N 2 1 365.521 4.244 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662501 1107234894 /nfs/dbraw/zinc/23/48/94/1107234894.db2.gz PANMIBQPRIECOQ-XMSQKQJNSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662501 1107234903 /nfs/dbraw/zinc/23/49/03/1107234903.db2.gz PANMIBQPRIECOQ-XMSQKQJNSA-N 2 1 365.521 4.244 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000530662501 1107234916 /nfs/dbraw/zinc/23/49/16/1107234916.db2.gz PANMIBQPRIECOQ-XMSQKQJNSA-N 2 1 365.521 4.244 20 0 FIADMP CCCCOC(=O)[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168067984 1107514125 /nfs/dbraw/zinc/51/41/25/1107514125.db2.gz VZBLKZLPMWBVPP-SFHLNBCPSA-N 2 1 372.553 4.093 20 0 FIADMP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000531103483 1107533480 /nfs/dbraw/zinc/53/34/80/1107533480.db2.gz DLYCAXFERKQLEG-NRFANRHFSA-N 2 1 355.551 4.248 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000531103483 1107533494 /nfs/dbraw/zinc/53/34/94/1107533494.db2.gz DLYCAXFERKQLEG-NRFANRHFSA-N 2 1 355.551 4.248 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000531103483 1107533511 /nfs/dbraw/zinc/53/35/11/1107533511.db2.gz DLYCAXFERKQLEG-NRFANRHFSA-N 2 1 355.551 4.248 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000531103483 1107533529 /nfs/dbraw/zinc/53/35/29/1107533529.db2.gz DLYCAXFERKQLEG-NRFANRHFSA-N 2 1 355.551 4.248 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000531240637 1107686109 /nfs/dbraw/zinc/68/61/09/1107686109.db2.gz OXTPIMCSRPBBLS-SJLPKXTDSA-N 2 1 358.555 4.195 20 0 FIADMP c1ccc(-c2cccc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2)cc1 ZINC000655722712 1107907092 /nfs/dbraw/zinc/90/70/92/1107907092.db2.gz GHAAKIFXEGAKDI-DEOSSOPVSA-N 2 1 364.533 4.129 20 0 FIADMP COc1ccc(CN2CCC[C@H]([N@@H+](C)Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655847 1108050492 /nfs/dbraw/zinc/05/04/92/1108050492.db2.gz BDLSWMLWDAVVOA-NRFANRHFSA-N 2 1 368.521 4.190 20 0 FIADMP COc1ccc(C[N@H+](C)[C@H]2CCC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655847 1108050505 /nfs/dbraw/zinc/05/05/05/1108050505.db2.gz BDLSWMLWDAVVOA-NRFANRHFSA-N 2 1 368.521 4.190 20 0 FIADMP COc1ccc(C[NH+](C)[C@H]2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655847 1108050546 /nfs/dbraw/zinc/05/05/46/1108050546.db2.gz BDLSWMLWDAVVOA-NRFANRHFSA-N 2 1 368.521 4.190 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676971 1108065632 /nfs/dbraw/zinc/06/56/32/1108065632.db2.gz CQNCXISCQPYXNU-UTKZUKDTSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676971 1108065646 /nfs/dbraw/zinc/06/56/46/1108065646.db2.gz CQNCXISCQPYXNU-UTKZUKDTSA-N 2 1 374.475 4.331 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccs2)cc1 ZINC000444667171 1108071804 /nfs/dbraw/zinc/07/18/04/1108071804.db2.gz SDTXGGDYACXNQV-HSALFYBXSA-N 2 1 356.535 4.099 20 0 FIADMP COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000531700256 1108079051 /nfs/dbraw/zinc/07/90/51/1108079051.db2.gz ABDOJZZEIZLWJB-MRXNPFEDSA-N 2 1 365.477 4.091 20 0 FIADMP FC(F)(F)C[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689652 1108091589 /nfs/dbraw/zinc/09/15/89/1108091589.db2.gz GPEXYPOOJRBXIA-GFCAHOMWSA-N 2 1 358.370 4.091 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCSc1ccccc1Br ZINC000531713907 1108093443 /nfs/dbraw/zinc/09/34/43/1108093443.db2.gz VBLVQKOUDJUULH-GDBMZVCRSA-N 2 1 371.388 4.251 20 0 FIADMP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000531723996 1108115325 /nfs/dbraw/zinc/11/53/25/1108115325.db2.gz HSXVKCLQZBRPEF-DNQXCXABSA-N 2 1 364.533 4.469 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccsc1 ZINC000453066179 1108118946 /nfs/dbraw/zinc/11/89/46/1108118946.db2.gz QRTJJUKNQXQTIF-OAQYLSRUSA-N 2 1 357.567 4.127 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccsc1 ZINC000453070938 1108123060 /nfs/dbraw/zinc/12/30/60/1108123060.db2.gz WANRJKMMESTHHP-NRFANRHFSA-N 2 1 357.567 4.127 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000453055359 1108131914 /nfs/dbraw/zinc/13/19/14/1108131914.db2.gz AUMCIHUAZBHRFL-GOSISDBHSA-N 2 1 357.567 4.045 20 0 FIADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000453057479 1108132694 /nfs/dbraw/zinc/13/26/94/1108132694.db2.gz FJPYGPUODICHNJ-FHWLQOOXSA-N 2 1 354.542 4.232 20 0 FIADMP CCn1ccnc1[C@H](C)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000453057481 1108133800 /nfs/dbraw/zinc/13/38/00/1108133800.db2.gz FJPYGPUODICHNJ-OTWHNJEPSA-N 2 1 354.542 4.232 20 0 FIADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000453057481 1108133808 /nfs/dbraw/zinc/13/38/08/1108133808.db2.gz FJPYGPUODICHNJ-OTWHNJEPSA-N 2 1 354.542 4.232 20 0 FIADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000453057481 1108133809 /nfs/dbraw/zinc/13/38/09/1108133809.db2.gz FJPYGPUODICHNJ-OTWHNJEPSA-N 2 1 354.542 4.232 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000523381361 1108163718 /nfs/dbraw/zinc/16/37/18/1108163718.db2.gz JWJOQRPUWVSHPA-SFHVURJKSA-N 2 1 365.521 4.232 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453120108 1108188624 /nfs/dbraw/zinc/18/86/24/1108188624.db2.gz BTUPIYWGNGUODV-TXTKFYIRSA-N 2 1 351.538 4.436 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453120108 1108188634 /nfs/dbraw/zinc/18/86/34/1108188634.db2.gz BTUPIYWGNGUODV-TXTKFYIRSA-N 2 1 351.538 4.436 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H](C)c4ccsc43)CC2)nc(C)[nH+]1 ZINC000453122973 1108190508 /nfs/dbraw/zinc/19/05/08/1108190508.db2.gz FKXXZWJPTXDFBM-ACJLOTCBSA-N 2 1 356.539 4.352 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453139572 1108213904 /nfs/dbraw/zinc/21/39/04/1108213904.db2.gz RSHKHQMYFOTSGS-VIZSFHNOSA-N 2 1 351.538 4.293 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453139572 1108213914 /nfs/dbraw/zinc/21/39/14/1108213914.db2.gz RSHKHQMYFOTSGS-VIZSFHNOSA-N 2 1 351.538 4.293 20 0 FIADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453205613 1108274653 /nfs/dbraw/zinc/27/46/53/1108274653.db2.gz HAJWMPHFCRIWCQ-JTPDYBDNSA-N 2 1 356.554 4.224 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218068 1108289058 /nfs/dbraw/zinc/28/90/58/1108289058.db2.gz GGPWCKDXEUDOFC-PKTZIBPZSA-N 2 1 368.565 4.084 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000531945043 1108423324 /nfs/dbraw/zinc/42/33/24/1108423324.db2.gz GRYPFSFUBXYHOL-KNQAVFIVSA-N 2 1 352.522 4.046 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000531945043 1108423335 /nfs/dbraw/zinc/42/33/35/1108423335.db2.gz GRYPFSFUBXYHOL-KNQAVFIVSA-N 2 1 352.522 4.046 20 0 FIADMP CC[NH+](CC)Cc1cc([C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1OC ZINC000453388516 1108474239 /nfs/dbraw/zinc/47/42/39/1108474239.db2.gz WOFFGNZOKRUJKD-XMSQKQJNSA-N 2 1 360.542 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969858 1108477140 /nfs/dbraw/zinc/47/71/40/1108477140.db2.gz LUVOPMMAOJRKDJ-DPLHUUCSSA-N 3 1 371.613 4.040 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969858 1108477150 /nfs/dbraw/zinc/47/71/50/1108477150.db2.gz LUVOPMMAOJRKDJ-DPLHUUCSSA-N 2 1 371.613 4.040 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000453410831 1108508919 /nfs/dbraw/zinc/50/89/19/1108508919.db2.gz VJGOMVSZLFNRCK-MRXNPFEDSA-N 2 1 369.372 4.450 20 0 FIADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000523850865 1108589274 /nfs/dbraw/zinc/58/92/74/1108589274.db2.gz DHFZKVHCJBGDAX-LRDDRELGSA-N 2 1 374.356 4.276 20 0 FIADMP c1nc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000453594267 1108630349 /nfs/dbraw/zinc/63/03/49/1108630349.db2.gz FEPHIOVWTNVGAJ-JOCHJYFZSA-N 2 1 352.526 4.067 20 0 FIADMP c1ncc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000453594267 1108630351 /nfs/dbraw/zinc/63/03/51/1108630351.db2.gz FEPHIOVWTNVGAJ-JOCHJYFZSA-N 2 1 352.526 4.067 20 0 FIADMP c1ncc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000453594267 1108630359 /nfs/dbraw/zinc/63/03/59/1108630359.db2.gz FEPHIOVWTNVGAJ-JOCHJYFZSA-N 2 1 352.526 4.067 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207227 1108695547 /nfs/dbraw/zinc/69/55/47/1108695547.db2.gz UZUWLWGAYDECAZ-AOMKIAJQSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207227 1108695561 /nfs/dbraw/zinc/69/55/61/1108695561.db2.gz UZUWLWGAYDECAZ-AOMKIAJQSA-N 2 1 370.924 4.338 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000532215691 1108716219 /nfs/dbraw/zinc/71/62/19/1108716219.db2.gz VUWIIHRBJWZARK-SJKOYZFVSA-N 2 1 369.372 4.306 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1)C1CCOCC1 ZINC000532265228 1108736466 /nfs/dbraw/zinc/73/64/66/1108736466.db2.gz JVTYYSJOCWYXPM-HXUWFJFHSA-N 2 1 374.569 4.235 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C)C1 ZINC000524551021 1109066736 /nfs/dbraw/zinc/06/67/36/1109066736.db2.gz SJWDKFIUDDTMBO-UWJYYQICSA-N 2 1 374.500 4.312 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C)C1 ZINC000524551021 1109066740 /nfs/dbraw/zinc/06/67/40/1109066740.db2.gz SJWDKFIUDDTMBO-UWJYYQICSA-N 2 1 374.500 4.312 20 0 FIADMP Cc1ccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCCC2)cc1 ZINC000446844519 1109363687 /nfs/dbraw/zinc/36/36/87/1109363687.db2.gz UJQIKILWQGEJJG-QFIPXVFZSA-N 2 1 356.554 4.461 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000447095361 1109441777 /nfs/dbraw/zinc/44/17/77/1109441777.db2.gz XROJQUZXQMJWDR-MRXNPFEDSA-N 2 1 371.550 4.294 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000447095361 1109441780 /nfs/dbraw/zinc/44/17/80/1109441780.db2.gz XROJQUZXQMJWDR-MRXNPFEDSA-N 2 1 371.550 4.294 20 0 FIADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc4ccccc43)C2)CC1 ZINC000525779471 1109515756 /nfs/dbraw/zinc/51/57/56/1109515756.db2.gz RRDRXWIPBGAYKG-TZIWHRDSSA-N 2 1 351.538 4.001 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587046 1109588249 /nfs/dbraw/zinc/58/82/49/1109588249.db2.gz PYENBPMAUKTDRD-ZIFCJYIRSA-N 2 1 370.493 4.018 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000447589940 1109589042 /nfs/dbraw/zinc/58/90/42/1109589042.db2.gz ZGFVPTLNDRZUMY-DKUWSORSSA-N 2 1 362.517 4.470 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000447589940 1109589044 /nfs/dbraw/zinc/58/90/44/1109589044.db2.gz ZGFVPTLNDRZUMY-DKUWSORSSA-N 2 1 362.517 4.470 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447935511 1109682722 /nfs/dbraw/zinc/68/27/22/1109682722.db2.gz HQGHVKKJBHCXST-HXUWFJFHSA-N 2 1 374.532 4.394 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000448024086 1109696339 /nfs/dbraw/zinc/69/63/39/1109696339.db2.gz WKSNLIRPFKXRAT-VDGAXYAQSA-N 2 1 363.509 4.291 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544420494 1109750287 /nfs/dbraw/zinc/75/02/87/1109750287.db2.gz HACKYCJMUAAHLB-UFYCRDLUSA-N 2 1 371.569 4.181 20 0 FIADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544420494 1109750292 /nfs/dbraw/zinc/75/02/92/1109750292.db2.gz HACKYCJMUAAHLB-UFYCRDLUSA-N 2 1 371.569 4.181 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)cc1 ZINC000448428390 1109789374 /nfs/dbraw/zinc/78/93/74/1109789374.db2.gz ZXMAOHDJLUQVSX-OAQYLSRUSA-N 2 1 373.585 4.016 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000448428390 1109789378 /nfs/dbraw/zinc/78/93/78/1109789378.db2.gz ZXMAOHDJLUQVSX-OAQYLSRUSA-N 2 1 373.585 4.016 20 0 FIADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000448428390 1109789382 /nfs/dbraw/zinc/78/93/82/1109789382.db2.gz ZXMAOHDJLUQVSX-OAQYLSRUSA-N 2 1 373.585 4.016 20 0 FIADMP Brc1sccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000527633567 1109791214 /nfs/dbraw/zinc/79/12/14/1109791214.db2.gz DYRIXZLGHAKBJX-UHFFFAOYSA-N 2 1 365.340 4.396 20 0 FIADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000527669953 1109799755 /nfs/dbraw/zinc/79/97/55/1109799755.db2.gz LCNSTXVSIQTUKF-UHFFFAOYSA-N 2 1 356.432 4.211 20 0 FIADMP CC(C)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000527883631 1109848873 /nfs/dbraw/zinc/84/88/73/1109848873.db2.gz DLUFUVQCYJGIPZ-WZONZLPQSA-N 2 1 352.522 4.227 20 0 FIADMP COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)cn1 ZINC000528044115 1109897774 /nfs/dbraw/zinc/89/77/74/1109897774.db2.gz RDSIZRRGCCKJGQ-NYHFZMIOSA-N 2 1 362.477 4.386 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049879 1109968644 /nfs/dbraw/zinc/96/86/44/1109968644.db2.gz SNAGKKZNCHSUSC-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049879 1109968647 /nfs/dbraw/zinc/96/86/47/1109968647.db2.gz SNAGKKZNCHSUSC-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049879 1109968648 /nfs/dbraw/zinc/96/86/48/1109968648.db2.gz SNAGKKZNCHSUSC-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@@H]21 ZINC000449049879 1109968649 /nfs/dbraw/zinc/96/86/49/1109968649.db2.gz SNAGKKZNCHSUSC-DYVFJYSZSA-N 2 1 363.477 4.004 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000449077987 1109974476 /nfs/dbraw/zinc/97/44/76/1109974476.db2.gz SVLLITUVGLWQNI-UHFFFAOYSA-N 2 1 372.601 4.451 20 0 FIADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449081242 1109974793 /nfs/dbraw/zinc/97/47/93/1109974793.db2.gz DAQHGRLKLLLLDK-FGZHOGPDSA-N 3 1 371.613 4.326 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000449081242 1109974794 /nfs/dbraw/zinc/97/47/94/1109974794.db2.gz DAQHGRLKLLLLDK-FGZHOGPDSA-N 2 1 371.613 4.326 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449081242 1109974795 /nfs/dbraw/zinc/97/47/95/1109974795.db2.gz DAQHGRLKLLLLDK-FGZHOGPDSA-N 2 1 371.613 4.326 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449081244 1109974998 /nfs/dbraw/zinc/97/49/98/1109974998.db2.gz DAQHGRLKLLLLDK-YADHBBJMSA-N 3 1 371.613 4.326 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000449081244 1109975002 /nfs/dbraw/zinc/97/50/02/1109975002.db2.gz DAQHGRLKLLLLDK-YADHBBJMSA-N 2 1 371.613 4.326 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449081244 1109975003 /nfs/dbraw/zinc/97/50/03/1109975003.db2.gz DAQHGRLKLLLLDK-YADHBBJMSA-N 2 1 371.613 4.326 20 0 FIADMP CCCC[NH+]1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449101757 1109976326 /nfs/dbraw/zinc/97/63/26/1109976326.db2.gz VMUDYQSICIFLGY-UHFFFAOYSA-N 2 1 365.493 4.442 20 0 FIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(CO)c(F)c2)CC1 ZINC000449093610 1109979371 /nfs/dbraw/zinc/97/93/71/1109979371.db2.gz PMMPVUICRCPWSV-UHFFFAOYSA-N 2 1 350.522 4.087 20 0 FIADMP Clc1ccc([C@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000449130721 1109981622 /nfs/dbraw/zinc/98/16/22/1109981622.db2.gz HNZPTBYFXAIXJV-AZUAARDMSA-N 2 1 362.945 4.211 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449130040 1109981757 /nfs/dbraw/zinc/98/17/57/1109981757.db2.gz FOXZYKOZWOZDHV-IBGZPJMESA-N 2 1 351.623 4.376 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449130040 1109981760 /nfs/dbraw/zinc/98/17/60/1109981760.db2.gz FOXZYKOZWOZDHV-IBGZPJMESA-N 3 1 351.623 4.376 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449130040 1109981762 /nfs/dbraw/zinc/98/17/62/1109981762.db2.gz FOXZYKOZWOZDHV-IBGZPJMESA-N 3 1 351.623 4.376 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449130041 1109981928 /nfs/dbraw/zinc/98/19/28/1109981928.db2.gz FOXZYKOZWOZDHV-LJQANCHMSA-N 2 1 351.623 4.376 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449130041 1109981929 /nfs/dbraw/zinc/98/19/29/1109981929.db2.gz FOXZYKOZWOZDHV-LJQANCHMSA-N 3 1 351.623 4.376 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449130041 1109981931 /nfs/dbraw/zinc/98/19/31/1109981931.db2.gz FOXZYKOZWOZDHV-LJQANCHMSA-N 3 1 351.623 4.376 20 0 FIADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449229840 1110003167 /nfs/dbraw/zinc/00/31/67/1110003167.db2.gz FLEAZMJBSLHQBT-OAHLLOKOSA-N 2 1 370.497 4.137 20 0 FIADMP CCSc1cc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)ccn1 ZINC000449261327 1110017865 /nfs/dbraw/zinc/01/78/65/1110017865.db2.gz ZQIARVVOPFAVKN-SFHVURJKSA-N 2 1 369.578 4.379 20 0 FIADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449263193 1110018272 /nfs/dbraw/zinc/01/82/72/1110018272.db2.gz HKDZCFVOTZCZLN-MRXNPFEDSA-N 2 1 355.507 4.152 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343625 1110034625 /nfs/dbraw/zinc/03/46/25/1110034625.db2.gz LXEBUXIIVXIMIV-FGZHOGPDSA-N 2 1 368.565 4.228 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CSc4ccccc43)CC2)cc1 ZINC000449364663 1110042292 /nfs/dbraw/zinc/04/22/92/1110042292.db2.gz OAFYZEJFQKJTPZ-SFHVURJKSA-N 2 1 370.537 4.312 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000449366471 1110043549 /nfs/dbraw/zinc/04/35/49/1110043549.db2.gz WKOFHMXEIPRBDQ-NWANDNLSSA-N 2 1 352.404 4.127 20 0 FIADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449377720 1110051209 /nfs/dbraw/zinc/05/12/09/1110051209.db2.gz BNGUGOBWBCGSJO-BBRMVZONSA-N 2 1 355.404 4.189 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449734544 1110158951 /nfs/dbraw/zinc/15/89/51/1110158951.db2.gz RUQLOLYVOFZSSY-YLJYHZDGSA-N 2 1 350.934 4.067 20 0 FIADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000538400032 1111115781 /nfs/dbraw/zinc/11/57/81/1111115781.db2.gz BOTYKFFRWIWBRS-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000538400032 1111115784 /nfs/dbraw/zinc/11/57/84/1111115784.db2.gz BOTYKFFRWIWBRS-AWEZNQCLSA-N 2 1 363.299 4.141 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000538408896 1111129821 /nfs/dbraw/zinc/12/98/21/1111129821.db2.gz XBDXSLSXAYSVTI-GOSISDBHSA-N 2 1 351.332 4.012 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000538551948 1111189533 /nfs/dbraw/zinc/18/95/33/1111189533.db2.gz LNFYAZXWPMDPMD-UHFFFAOYSA-N 2 1 351.332 4.291 20 0 FIADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000538719800 1111261442 /nfs/dbraw/zinc/26/14/42/1111261442.db2.gz JCGUBJNWXQNNHF-QFIPXVFZSA-N 2 1 350.506 4.183 20 0 FIADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000538719800 1111261445 /nfs/dbraw/zinc/26/14/45/1111261445.db2.gz JCGUBJNWXQNNHF-QFIPXVFZSA-N 2 1 350.506 4.183 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000538796059 1111293938 /nfs/dbraw/zinc/29/39/38/1111293938.db2.gz MBHZYDRMTSGZPK-QGCDCVKKSA-N 2 1 372.484 4.078 20 0 FIADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000538796059 1111293940 /nfs/dbraw/zinc/29/39/40/1111293940.db2.gz MBHZYDRMTSGZPK-QGCDCVKKSA-N 2 1 372.484 4.078 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797720 1111294046 /nfs/dbraw/zinc/29/40/46/1111294046.db2.gz VHVYQNDFWIECIP-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797720 1111294050 /nfs/dbraw/zinc/29/40/50/1111294050.db2.gz VHVYQNDFWIECIP-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797720 1111294052 /nfs/dbraw/zinc/29/40/52/1111294052.db2.gz VHVYQNDFWIECIP-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@H]21 ZINC000538797720 1111294055 /nfs/dbraw/zinc/29/40/55/1111294055.db2.gz VHVYQNDFWIECIP-CRAIPNDOSA-N 2 1 367.518 4.472 20 0 FIADMP c1[nH]nc2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798623 1111294796 /nfs/dbraw/zinc/29/47/96/1111294796.db2.gz PTPUWHFPLYNRIS-FYYLOGMGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798623 1111294799 /nfs/dbraw/zinc/29/47/99/1111294799.db2.gz PTPUWHFPLYNRIS-FYYLOGMGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798623 1111294803 /nfs/dbraw/zinc/29/48/03/1111294803.db2.gz PTPUWHFPLYNRIS-FYYLOGMGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798623 1111294805 /nfs/dbraw/zinc/29/48/05/1111294805.db2.gz PTPUWHFPLYNRIS-FYYLOGMGSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798623 1111294810 /nfs/dbraw/zinc/29/48/10/1111294810.db2.gz PTPUWHFPLYNRIS-FYYLOGMGSA-N 2 1 360.505 4.049 20 0 FIADMP Fc1ccc(CC2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000538868544 1111328604 /nfs/dbraw/zinc/32/86/04/1111328604.db2.gz XOILOXBWAIAPKC-UHFFFAOYSA-N 2 1 352.497 4.403 20 0 FIADMP Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000552056188 1111559754 /nfs/dbraw/zinc/55/97/54/1111559754.db2.gz VWGDNNFWMGWYJE-QPTUXGOLSA-N 2 1 363.549 4.213 20 0 FIADMP COCC[C@H](Cc1ccco1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000552065464 1111564477 /nfs/dbraw/zinc/56/44/77/1111564477.db2.gz AGRNMIRKRFTCSD-ATKRNPRHSA-N 2 1 370.537 4.260 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000552067387 1111565770 /nfs/dbraw/zinc/56/57/70/1111565770.db2.gz IGUTUHUGTUSKFG-ZSTXGWIISA-N 2 1 356.554 4.224 20 0 FIADMP Clc1cc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2c(Cl)c1 ZINC000477867463 1111583651 /nfs/dbraw/zinc/58/36/51/1111583651.db2.gz UCWSHUSEOJQNHC-GJZGRUSLSA-N 2 1 352.309 4.234 20 0 FIADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000552099306 1111585313 /nfs/dbraw/zinc/58/53/13/1111585313.db2.gz DSOQLZXNMQBHDG-DHWLSRIRSA-N 2 1 360.505 4.409 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)c1 ZINC000552250223 1111628834 /nfs/dbraw/zinc/62/88/34/1111628834.db2.gz YSIDFTKPWRPYAY-KRWDZBQOSA-N 2 1 370.537 4.185 20 0 FIADMP CCC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCOCC1 ZINC000552272150 1111645808 /nfs/dbraw/zinc/64/58/08/1111645808.db2.gz DKVARFBWWKLPAP-UHFFFAOYSA-N 2 1 356.554 4.181 20 0 FIADMP CCc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000552272928 1111654556 /nfs/dbraw/zinc/65/45/56/1111654556.db2.gz JAGNYZHNZZICJP-UHFFFAOYSA-N 2 1 355.551 4.194 20 0 FIADMP CCc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000552272928 1111654561 /nfs/dbraw/zinc/65/45/61/1111654561.db2.gz JAGNYZHNZZICJP-UHFFFAOYSA-N 2 1 355.551 4.194 20 0 FIADMP COc1cccc(C2([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000552326192 1111669898 /nfs/dbraw/zinc/66/98/98/1111669898.db2.gz KARYQJADAFVNEM-GHTZIAJQSA-N 2 1 350.506 4.327 20 0 FIADMP COc1cccc(C2([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC000552326192 1111669902 /nfs/dbraw/zinc/66/99/02/1111669902.db2.gz KARYQJADAFVNEM-GHTZIAJQSA-N 2 1 350.506 4.327 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]CCC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000552362756 1111685562 /nfs/dbraw/zinc/68/55/62/1111685562.db2.gz LHKSELIFWAIATE-HSZRJFAPSA-N 2 1 370.581 4.475 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1COc2ccccc21 ZINC000552575964 1111748410 /nfs/dbraw/zinc/74/84/10/1111748410.db2.gz LZTKUVGBBRCYFT-BAYUQKDNSA-N 2 1 350.506 4.194 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1COc2ccccc21 ZINC000552575964 1111748413 /nfs/dbraw/zinc/74/84/13/1111748413.db2.gz LZTKUVGBBRCYFT-BAYUQKDNSA-N 2 1 350.506 4.194 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](c3cc(F)ccc3F)C(C)C)CC2)nc(C)[nH+]1 ZINC000479065025 1111939383 /nfs/dbraw/zinc/93/93/83/1111939383.db2.gz TWSLASDDPVCIFO-OAQYLSRUSA-N 2 1 374.479 4.327 20 0 FIADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000479070370 1111940124 /nfs/dbraw/zinc/94/01/24/1111940124.db2.gz PYPRTCRZXKXPHB-JOCHJYFZSA-N 2 1 364.537 4.246 20 0 FIADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000479070374 1111940239 /nfs/dbraw/zinc/94/02/39/1111940239.db2.gz PYPRTCRZXKXPHB-QFIPXVFZSA-N 2 1 364.537 4.246 20 0 FIADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000479348629 1111995753 /nfs/dbraw/zinc/99/57/53/1111995753.db2.gz QYMHSSAOEJIVIE-JOCHJYFZSA-N 2 1 366.553 4.352 20 0 FIADMP CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353906 1111997098 /nfs/dbraw/zinc/99/70/98/1111997098.db2.gz ZEKCJTUJKLAUOR-SCLBCKFNSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353906 1111997100 /nfs/dbraw/zinc/99/71/00/1111997100.db2.gz ZEKCJTUJKLAUOR-SCLBCKFNSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353906 1111997102 /nfs/dbraw/zinc/99/71/02/1111997102.db2.gz ZEKCJTUJKLAUOR-SCLBCKFNSA-N 2 1 369.322 4.361 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358119 1111998039 /nfs/dbraw/zinc/99/80/39/1111998039.db2.gz ITJOBOOUQXSMCA-SUMWQHHRSA-N 2 1 351.332 4.103 20 0 FIADMP COC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC(C)CC1 ZINC000479487206 1112041934 /nfs/dbraw/zinc/04/19/34/1112041934.db2.gz FZRSQFHFWPWOCN-YYDSYHLRSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000553678505 1112049532 /nfs/dbraw/zinc/04/95/32/1112049532.db2.gz DXRBLFLKSRQGSP-ZFWWWQNUSA-N 2 1 360.299 4.060 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)cc2)C1 ZINC000554050140 1112177012 /nfs/dbraw/zinc/17/70/12/1112177012.db2.gz FYJNFFHIDYNRFX-MNEFBYGVSA-N 2 1 370.459 4.118 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c(F)cn1 ZINC000554073266 1112183867 /nfs/dbraw/zinc/18/38/67/1112183867.db2.gz WXOBEAZWWUYNIN-QGZVFWFLSA-N 2 1 371.500 4.456 20 0 FIADMP COc1cc2c(NC3CCN(c4cccc(C)[nH+]4)CC3)cc[nH+]c2cc1F ZINC000480008924 1112235281 /nfs/dbraw/zinc/23/52/81/1112235281.db2.gz WLRXGUJBIPYDLZ-UHFFFAOYSA-N 2 1 366.440 4.167 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000480025470 1112243740 /nfs/dbraw/zinc/24/37/40/1112243740.db2.gz LWCPUGSQLSMZHF-UHFFFAOYSA-N 2 1 368.521 4.383 20 0 FIADMP COc1ccc(C2([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000480204659 1112331694 /nfs/dbraw/zinc/33/16/94/1112331694.db2.gz ZLXSDZRDIQMDFP-UYAOXDASSA-N 2 1 350.506 4.185 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCCC(F)(F)F)CCCC2)CC1 ZINC000480244262 1112342025 /nfs/dbraw/zinc/34/20/25/1112342025.db2.gz XQVWRQJMJUPPMA-HNNXBMFYSA-N 2 1 350.469 4.121 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccc1OC(F)F ZINC000480606304 1112506749 /nfs/dbraw/zinc/50/67/49/1112506749.db2.gz CSQZKNKBVODTMD-JKSUJKDBSA-N 2 1 370.484 4.459 20 0 FIADMP COc1cc(F)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000480630550 1112510085 /nfs/dbraw/zinc/51/00/85/1112510085.db2.gz JZGFTFADSQPVNL-HZPDHXFCSA-N 2 1 352.494 4.006 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000480636655 1112524416 /nfs/dbraw/zinc/52/44/16/1112524416.db2.gz CVSUNBKZMJXRTP-ZWKOTPCHSA-N 2 1 366.505 4.498 20 0 FIADMP C[N@H+](Cc1cccc(OCc2ccccc2F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000554878528 1112549004 /nfs/dbraw/zinc/54/90/04/1112549004.db2.gz WJPKDXJLRVLXAD-WCRBZPEASA-N 2 1 368.496 4.462 20 0 FIADMP C[N@@H+](Cc1cccc(OCc2ccccc2F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000554878528 1112549007 /nfs/dbraw/zinc/54/90/07/1112549007.db2.gz WJPKDXJLRVLXAD-WCRBZPEASA-N 2 1 368.496 4.462 20 0 FIADMP C[NH+](Cc1cccc(OCc2ccccc2F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554878528 1112549019 /nfs/dbraw/zinc/54/90/19/1112549019.db2.gz WJPKDXJLRVLXAD-WCRBZPEASA-N 2 1 368.496 4.462 20 0 FIADMP C[NH+](Cc1cccc(OCc2ccccc2F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554878528 1112549021 /nfs/dbraw/zinc/54/90/21/1112549021.db2.gz WJPKDXJLRVLXAD-WCRBZPEASA-N 2 1 368.496 4.462 20 0 FIADMP CCn1c2ccccc2nc1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000554878141 1112549357 /nfs/dbraw/zinc/54/93/57/1112549357.db2.gz YNABEJXHCLGKBP-UHFFFAOYSA-N 2 1 350.510 4.140 20 0 FIADMP CCn1c2ccccc2nc1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000554878141 1112549358 /nfs/dbraw/zinc/54/93/58/1112549358.db2.gz YNABEJXHCLGKBP-UHFFFAOYSA-N 2 1 350.510 4.140 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745487 1112583945 /nfs/dbraw/zinc/58/39/45/1112583945.db2.gz OLIAEJIZOAIMMU-SSKCKEOISA-N 2 1 355.295 4.112 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745487 1112583954 /nfs/dbraw/zinc/58/39/54/1112583954.db2.gz OLIAEJIZOAIMMU-SSKCKEOISA-N 2 1 355.295 4.112 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000480779068 1112593516 /nfs/dbraw/zinc/59/35/16/1112593516.db2.gz JVEGGIYQGVOFKY-OAQYLSRUSA-N 2 1 365.993 4.435 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897111 1112661137 /nfs/dbraw/zinc/66/11/37/1112661137.db2.gz FGXUHJLHGPNXPS-URXFXBBRSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897111 1112661140 /nfs/dbraw/zinc/66/11/40/1112661140.db2.gz FGXUHJLHGPNXPS-URXFXBBRSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000481449845 1112946601 /nfs/dbraw/zinc/94/66/01/1112946601.db2.gz XUWKTUXETKMKSQ-GFCCVEGCSA-N 2 1 355.295 4.256 20 0 FIADMP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000481555083 1112980220 /nfs/dbraw/zinc/98/02/20/1112980220.db2.gz CYKIYICWNPQSHI-OALUTQOASA-N 2 1 368.521 4.157 20 0 FIADMP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000481555083 1112980222 /nfs/dbraw/zinc/98/02/22/1112980222.db2.gz CYKIYICWNPQSHI-OALUTQOASA-N 2 1 368.521 4.157 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccc(Cl)c2)[C@H](C)C1 ZINC000481731889 1113059246 /nfs/dbraw/zinc/05/92/46/1113059246.db2.gz GCZOFFFLXXLBBV-YLJYHZDGSA-N 2 1 366.977 4.344 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481720336 1113060694 /nfs/dbraw/zinc/06/06/94/1113060694.db2.gz FJJYABIYXBYBFN-HYFFOGBASA-N 2 1 350.506 4.107 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481742443 1113064494 /nfs/dbraw/zinc/06/44/94/1113064494.db2.gz ZADGNZBEOSMTLA-KRWDZBQOSA-N 2 1 366.278 4.224 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000481907036 1113134534 /nfs/dbraw/zinc/13/45/34/1113134534.db2.gz GTWJTLLOCXRRPQ-FXAWDEMLSA-N 2 1 357.567 4.309 20 0 FIADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCO2)cc1 ZINC000481951864 1113140318 /nfs/dbraw/zinc/14/03/18/1113140318.db2.gz IJRAUFBRZCIAQJ-YADHBBJMSA-N 2 1 360.517 4.433 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992128 1113146509 /nfs/dbraw/zinc/14/65/09/1113146509.db2.gz PPDNWBVJKQGDHC-SJORKVTESA-N 2 1 370.493 4.038 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992128 1113146512 /nfs/dbraw/zinc/14/65/12/1113146512.db2.gz PPDNWBVJKQGDHC-SJORKVTESA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992128 1113146514 /nfs/dbraw/zinc/14/65/14/1113146514.db2.gz PPDNWBVJKQGDHC-SJORKVTESA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)C[C@H]1C ZINC000481992128 1113146515 /nfs/dbraw/zinc/14/65/15/1113146515.db2.gz PPDNWBVJKQGDHC-SJORKVTESA-N 2 1 370.493 4.038 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000482137085 1113179570 /nfs/dbraw/zinc/17/95/70/1113179570.db2.gz HXODIPYCKXTVFB-INIZCTEOSA-N 2 1 356.470 4.121 20 0 FIADMP C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482220805 1113202617 /nfs/dbraw/zinc/20/26/17/1113202617.db2.gz NPJLHWSDVKZDCZ-WMZHIEFXSA-N 2 1 364.533 4.054 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2Cl)[C@@H](C)C1 ZINC000482236614 1113206245 /nfs/dbraw/zinc/20/62/45/1113206245.db2.gz ASMMRCJABMSOPW-PXNSSMCTSA-N 2 1 366.977 4.344 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000482257994 1113209054 /nfs/dbraw/zinc/20/90/54/1113209054.db2.gz KMAWIKOVIQAVKY-YLJYHZDGSA-N 2 1 357.567 4.274 20 0 FIADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000482257994 1113209058 /nfs/dbraw/zinc/20/90/58/1113209058.db2.gz KMAWIKOVIQAVKY-YLJYHZDGSA-N 2 1 357.567 4.274 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434945 1113253793 /nfs/dbraw/zinc/25/37/93/1113253793.db2.gz HGGDXCWGMARFSB-NZQKXSOJSA-N 2 1 352.522 4.301 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482445206 1113258454 /nfs/dbraw/zinc/25/84/54/1113258454.db2.gz AQDWNMJARJFAAJ-PZJWPPBQSA-N 2 1 352.522 4.301 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447796 1113259227 /nfs/dbraw/zinc/25/92/27/1113259227.db2.gz MVQGCRGVAPIARH-DOTOQJQBSA-N 2 1 362.439 4.319 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000482447796 1113259233 /nfs/dbraw/zinc/25/92/33/1113259233.db2.gz MVQGCRGVAPIARH-DOTOQJQBSA-N 2 1 362.439 4.319 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1Cl ZINC000482876199 1113386134 /nfs/dbraw/zinc/38/61/34/1113386134.db2.gz UHZMHUDZEICRLT-QAPCUYQASA-N 2 1 359.341 4.271 20 0 FIADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000482882246 1113391332 /nfs/dbraw/zinc/39/13/32/1113391332.db2.gz AUNZAVKXLNXNRG-MAUKXSAKSA-N 2 1 359.341 4.271 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176228 1113457846 /nfs/dbraw/zinc/45/78/46/1113457846.db2.gz NCKTUSXZLUZQHI-WDSOQIARSA-N 2 1 372.475 4.349 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176228 1113457849 /nfs/dbraw/zinc/45/78/49/1113457849.db2.gz NCKTUSXZLUZQHI-WDSOQIARSA-N 2 1 372.475 4.349 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000483276401 1113478215 /nfs/dbraw/zinc/47/82/15/1113478215.db2.gz NAAJYYYSENOOFV-NQIIRXRSSA-N 2 1 357.542 4.264 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000483276401 1113478219 /nfs/dbraw/zinc/47/82/19/1113478219.db2.gz NAAJYYYSENOOFV-NQIIRXRSSA-N 2 1 357.542 4.264 20 0 FIADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000483276401 1113478222 /nfs/dbraw/zinc/47/82/22/1113478222.db2.gz NAAJYYYSENOOFV-NQIIRXRSSA-N 2 1 357.542 4.264 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486487858 1113579835 /nfs/dbraw/zinc/57/98/35/1113579835.db2.gz KNNYKMKWXKOREK-QFBILLFUSA-N 2 1 360.448 4.288 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717112 1113628462 /nfs/dbraw/zinc/62/84/62/1113628462.db2.gz MZQHMMYSCUNQFB-OXJNMPFZSA-N 2 1 351.469 4.450 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@@H](C(C)C)C3)CC2)cs1 ZINC000488414862 1113927206 /nfs/dbraw/zinc/92/72/06/1113927206.db2.gz RMXSKGZCHWKOBJ-FUHWJXTLSA-N 2 1 367.628 4.037 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000488445349 1113933317 /nfs/dbraw/zinc/93/33/17/1113933317.db2.gz FRQKCBYZDFIVPS-PNJWGLBASA-N 2 1 358.570 4.439 20 0 FIADMP Fc1cccc(F)c1C1([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000629556546 1114147931 /nfs/dbraw/zinc/14/79/31/1114147931.db2.gz SBNYAOXPMYCZCK-NQIIRXRSSA-N 2 1 370.443 4.190 20 0 FIADMP Cc1c(F)ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1Cl ZINC001212145036 1114417695 /nfs/dbraw/zinc/41/76/95/1114417695.db2.gz KNSXVOQWIUSWJJ-AWEZNQCLSA-N 2 1 354.857 4.006 20 0 FIADMP c1cn(-c2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000570964242 1114418565 /nfs/dbraw/zinc/41/85/65/1114418565.db2.gz JKIACURFNFTYKX-QFIPXVFZSA-N 2 1 372.516 4.159 20 0 FIADMP c1cn(-c2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000570964242 1114418569 /nfs/dbraw/zinc/41/85/69/1114418569.db2.gz JKIACURFNFTYKX-QFIPXVFZSA-N 2 1 372.516 4.159 20 0 FIADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710760 1114601942 /nfs/dbraw/zinc/60/19/42/1114601942.db2.gz LARARRYYLMKYRW-IXDOHACOSA-N 2 1 350.934 4.222 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000589835452 1114846077 /nfs/dbraw/zinc/84/60/77/1114846077.db2.gz OIKBACBLPYJWSL-UHFFFAOYSA-N 2 1 372.532 4.372 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000589835452 1114846079 /nfs/dbraw/zinc/84/60/79/1114846079.db2.gz OIKBACBLPYJWSL-UHFFFAOYSA-N 2 1 372.532 4.372 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000589835997 1114847431 /nfs/dbraw/zinc/84/74/31/1114847431.db2.gz CFLWTHGPWXALNC-CQSZACIVSA-N 2 1 357.311 4.332 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000590786198 1114973938 /nfs/dbraw/zinc/97/39/38/1114973938.db2.gz HFXAJHWWEBMLQP-UHFFFAOYSA-N 2 1 357.567 4.286 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000590786198 1114973939 /nfs/dbraw/zinc/97/39/39/1114973939.db2.gz HFXAJHWWEBMLQP-UHFFFAOYSA-N 2 1 357.567 4.286 20 0 FIADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787050 1114973948 /nfs/dbraw/zinc/97/39/48/1114973948.db2.gz RCUVRNOHGDEYFV-INIZCTEOSA-N 2 1 365.949 4.028 20 0 FIADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000590786827 1114974340 /nfs/dbraw/zinc/97/43/40/1114974340.db2.gz NZXAPCYYLLWVOK-UGKGYDQZSA-N 2 1 373.585 4.085 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841883 1115108196 /nfs/dbraw/zinc/10/81/96/1115108196.db2.gz BJGSFYBEOLHHCO-QFBILLFUSA-N 2 1 361.530 4.338 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841883 1115108201 /nfs/dbraw/zinc/10/82/01/1115108201.db2.gz BJGSFYBEOLHHCO-QFBILLFUSA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841883 1115108207 /nfs/dbraw/zinc/10/82/07/1115108207.db2.gz BJGSFYBEOLHHCO-QFBILLFUSA-N 2 1 361.530 4.338 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H]1C ZINC000760841883 1115108211 /nfs/dbraw/zinc/10/82/11/1115108211.db2.gz BJGSFYBEOLHHCO-QFBILLFUSA-N 2 1 361.530 4.338 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000573863331 1115192130 /nfs/dbraw/zinc/19/21/30/1115192130.db2.gz OLEKCDCUCDVEPO-QLFBSQMISA-N 2 1 366.347 4.148 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000573863331 1115192133 /nfs/dbraw/zinc/19/21/33/1115192133.db2.gz OLEKCDCUCDVEPO-QLFBSQMISA-N 2 1 366.347 4.148 20 0 FIADMP COc1ccc(-c2ccccc2)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573961890 1115225559 /nfs/dbraw/zinc/22/55/59/1115225559.db2.gz JYTHUODQFQVZEB-CBQGHPETSA-N 2 1 350.506 4.419 20 0 FIADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000573961890 1115225562 /nfs/dbraw/zinc/22/55/62/1115225562.db2.gz JYTHUODQFQVZEB-CBQGHPETSA-N 2 1 350.506 4.419 20 0 FIADMP COc1ccc(-c2ccccc2)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573961890 1115225564 /nfs/dbraw/zinc/22/55/64/1115225564.db2.gz JYTHUODQFQVZEB-CBQGHPETSA-N 2 1 350.506 4.419 20 0 FIADMP COc1ccc(-c2ccccc2)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573961890 1115225567 /nfs/dbraw/zinc/22/55/67/1115225567.db2.gz JYTHUODQFQVZEB-CBQGHPETSA-N 2 1 350.506 4.419 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000574300777 1115344644 /nfs/dbraw/zinc/34/46/44/1115344644.db2.gz ZZOANDINQAWEEI-MSOLQXFVSA-N 2 1 370.516 4.083 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000594006138 1115371324 /nfs/dbraw/zinc/37/13/24/1115371324.db2.gz NZSHQSXUVNLKMZ-MRXNPFEDSA-N 2 1 374.326 4.452 20 0 FIADMP COC(=O)c1oc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1C ZINC000597050433 1115638089 /nfs/dbraw/zinc/63/80/89/1115638089.db2.gz NHUNJWQUDMLXPR-KRWDZBQOSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1C ZINC000597050433 1115638092 /nfs/dbraw/zinc/63/80/92/1115638092.db2.gz NHUNJWQUDMLXPR-KRWDZBQOSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1C ZINC000597050433 1115638094 /nfs/dbraw/zinc/63/80/94/1115638094.db2.gz NHUNJWQUDMLXPR-KRWDZBQOSA-N 2 1 370.493 4.039 20 0 FIADMP Brc1ccc(/C=C/CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903169 1115981612 /nfs/dbraw/zinc/98/16/12/1115981612.db2.gz KXPMIGVTJNPVSV-OYLBFLIUSA-N 2 1 363.343 4.270 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000534216469 1116172082 /nfs/dbraw/zinc/17/20/82/1116172082.db2.gz PCPVSFYISRZACL-UHFFFAOYSA-N 2 1 371.488 4.176 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000534216469 1116172084 /nfs/dbraw/zinc/17/20/84/1116172084.db2.gz PCPVSFYISRZACL-UHFFFAOYSA-N 2 1 371.488 4.176 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000534347045 1116186823 /nfs/dbraw/zinc/18/68/23/1116186823.db2.gz ZZDCTVHVUBWGAJ-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000534347045 1116186825 /nfs/dbraw/zinc/18/68/25/1116186825.db2.gz ZZDCTVHVUBWGAJ-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH]c(-c2ccccc2)n1 ZINC000509450343 1116198457 /nfs/dbraw/zinc/19/84/57/1116198457.db2.gz RHKOZHCCLREDBZ-QFIPXVFZSA-N 2 1 374.532 4.467 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000534497310 1116207751 /nfs/dbraw/zinc/20/77/51/1116207751.db2.gz QSWGCVRFHSHDHV-SFHVURJKSA-N 2 1 370.562 4.482 20 0 FIADMP Cc1nc(C[N@@H+]2CC[C@H](c3nccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758296 1116235268 /nfs/dbraw/zinc/23/52/68/1116235268.db2.gz YBHLEBZIQBYRBG-HNNXBMFYSA-N 2 1 356.857 4.026 20 0 FIADMP Cc1nc(CN2CC[C@H](c3nccn3C)C2)oc1-c1ccc(Cl)cc1 ZINC000534758296 1116235270 /nfs/dbraw/zinc/23/52/70/1116235270.db2.gz YBHLEBZIQBYRBG-HNNXBMFYSA-N 2 1 356.857 4.026 20 0 FIADMP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000534973580 1116257117 /nfs/dbraw/zinc/25/71/17/1116257117.db2.gz VYAKTZCZMZOIEE-QFIPXVFZSA-N 2 1 370.924 4.339 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509441 1116313721 /nfs/dbraw/zinc/31/37/21/1116313721.db2.gz SHXQKIBYBULFRR-ZBEGNZNMSA-N 2 1 357.723 4.021 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000462681878 1116390121 /nfs/dbraw/zinc/39/01/21/1116390121.db2.gz WGPBQTXFWGQVIW-CALCHBBNSA-N 2 1 372.475 4.475 20 0 FIADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000539852082 1116393025 /nfs/dbraw/zinc/39/30/25/1116393025.db2.gz LVGVKMIWGWLXBQ-UHFFFAOYSA-N 2 1 352.526 4.165 20 0 FIADMP COc1ccc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000539895373 1117739064 /nfs/dbraw/zinc/73/90/64/1117739064.db2.gz CSQNUOJRLZVMPQ-REWPJTCUSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000539895373 1117739067 /nfs/dbraw/zinc/73/90/67/1117739067.db2.gz CSQNUOJRLZVMPQ-REWPJTCUSA-N 2 1 350.506 4.297 20 0 FIADMP COc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000539895373 1117739070 /nfs/dbraw/zinc/73/90/70/1117739070.db2.gz CSQNUOJRLZVMPQ-REWPJTCUSA-N 2 1 350.506 4.297 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3ccccc3nc2C)CC1)CC1CC1 ZINC000540049104 1117830217 /nfs/dbraw/zinc/83/02/17/1117830217.db2.gz DMQQMXYRACPBGP-UHFFFAOYSA-N 2 1 366.553 4.272 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3ccccc32)[C@H](C)C1 ZINC000540169445 1117912131 /nfs/dbraw/zinc/91/21/31/1117912131.db2.gz TUTMNJQGOOOFLU-AUSIDOKSSA-N 2 1 354.538 4.109 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(NC(C)=O)c2)CC1)CC(C)C ZINC000540197437 1117937945 /nfs/dbraw/zinc/93/79/45/1117937945.db2.gz OWUMNWCZGHBKQF-UHFFFAOYSA-N 2 1 359.558 4.225 20 0 FIADMP Clc1cccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463065911 1117949816 /nfs/dbraw/zinc/94/98/16/1117949816.db2.gz YCAQJBIHHHJPGE-UHFFFAOYSA-N 2 1 358.913 4.016 20 0 FIADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073884 1117957894 /nfs/dbraw/zinc/95/78/94/1117957894.db2.gz KQAYJKPFBZPHMU-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073884 1117957896 /nfs/dbraw/zinc/95/78/96/1117957896.db2.gz KQAYJKPFBZPHMU-ZWKOTPCHSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077613 1117959910 /nfs/dbraw/zinc/95/99/10/1117959910.db2.gz KCLHMNLQZFDYND-XUZZJYLKSA-N 2 1 366.549 4.279 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCOCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077613 1117959913 /nfs/dbraw/zinc/95/99/13/1117959913.db2.gz KCLHMNLQZFDYND-XUZZJYLKSA-N 2 1 366.549 4.279 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000463112204 1117969563 /nfs/dbraw/zinc/96/95/63/1117969563.db2.gz TUNQLRSYZAQSIQ-OFNKIYASSA-N 2 1 374.532 4.058 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1Cc1ccccc1 ZINC000463112204 1117969565 /nfs/dbraw/zinc/96/95/65/1117969565.db2.gz TUNQLRSYZAQSIQ-OFNKIYASSA-N 2 1 374.532 4.058 20 0 FIADMP FC(F)(F)c1cncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000463113244 1117969902 /nfs/dbraw/zinc/96/99/02/1117969902.db2.gz AXYUIVWFXKGECT-UHFFFAOYSA-N 2 1 355.448 4.188 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463114589 1117971116 /nfs/dbraw/zinc/97/11/16/1117971116.db2.gz GELSWFKWTCKXFB-TZIWHRDSSA-N 2 1 364.533 4.370 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463114589 1117971118 /nfs/dbraw/zinc/97/11/18/1117971118.db2.gz GELSWFKWTCKXFB-TZIWHRDSSA-N 2 1 364.533 4.370 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130466 1117976558 /nfs/dbraw/zinc/97/65/58/1117976558.db2.gz WNWLUKXCYQRGBI-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130466 1117976561 /nfs/dbraw/zinc/97/65/61/1117976561.db2.gz WNWLUKXCYQRGBI-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463148980 1117991895 /nfs/dbraw/zinc/99/18/95/1117991895.db2.gz UAHASDZGZFBISH-MZYLBHOOSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463148980 1117991897 /nfs/dbraw/zinc/99/18/97/1117991897.db2.gz UAHASDZGZFBISH-MZYLBHOOSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463149633 1117992797 /nfs/dbraw/zinc/99/27/97/1117992797.db2.gz VVZGUTRVQWQNGZ-PXNSSMCTSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463149633 1117992800 /nfs/dbraw/zinc/99/28/00/1117992800.db2.gz VVZGUTRVQWQNGZ-PXNSSMCTSA-N 2 1 374.475 4.473 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463188633 1118006508 /nfs/dbraw/zinc/00/65/08/1118006508.db2.gz DUEKASXZCKIKEF-SBHAEUEKSA-N 2 1 368.521 4.105 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463188633 1118006513 /nfs/dbraw/zinc/00/65/13/1118006513.db2.gz DUEKASXZCKIKEF-SBHAEUEKSA-N 2 1 368.521 4.105 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000463190141 1118007548 /nfs/dbraw/zinc/00/75/48/1118007548.db2.gz IHAFAXDGYVYEGS-UHFFFAOYSA-N 2 1 356.554 4.023 20 0 FIADMP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463249997 1118060765 /nfs/dbraw/zinc/06/07/65/1118060765.db2.gz IXXCGMIRXSFPGR-UHFFFAOYSA-N 2 1 358.570 4.267 20 0 FIADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000463267118 1118071471 /nfs/dbraw/zinc/07/14/71/1118071471.db2.gz OBQVZDFCHBOLKL-DENIHFKCSA-N 2 1 352.522 4.194 20 0 FIADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000463267118 1118071475 /nfs/dbraw/zinc/07/14/75/1118071475.db2.gz OBQVZDFCHBOLKL-DENIHFKCSA-N 2 1 352.522 4.194 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000540494459 1118091972 /nfs/dbraw/zinc/09/19/72/1118091972.db2.gz BFGAAUDVQRMJTO-FXAWDEMLSA-N 2 1 368.525 4.103 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000540990276 1118341289 /nfs/dbraw/zinc/34/12/89/1118341289.db2.gz KSWHPJCIUWZSDS-SIKLNZKXSA-N 2 1 368.496 4.194 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000540990276 1118341293 /nfs/dbraw/zinc/34/12/93/1118341293.db2.gz KSWHPJCIUWZSDS-SIKLNZKXSA-N 2 1 368.496 4.194 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C3CC(c4ccc(F)cc4)C3)CCCC2)CC1 ZINC000541250851 1118446907 /nfs/dbraw/zinc/44/69/07/1118446907.db2.gz DWNFDYGHIUVIJH-UHFFFAOYSA-N 2 1 360.517 4.085 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000761450004 1118446924 /nfs/dbraw/zinc/44/69/24/1118446924.db2.gz JBKAHUCQPSDXTL-GMAHTHKFSA-N 2 1 356.554 4.420 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000541547504 1118551094 /nfs/dbraw/zinc/55/10/94/1118551094.db2.gz YURLBWLNHMNERE-JOCHJYFZSA-N 2 1 363.505 4.023 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000541564054 1118556241 /nfs/dbraw/zinc/55/62/41/1118556241.db2.gz CMXXJNCYMVLDDB-HSZRJFAPSA-N 2 1 361.464 4.315 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000541552110 1118559822 /nfs/dbraw/zinc/55/98/22/1118559822.db2.gz MEFBNLIECDVDJG-HXUWFJFHSA-N 2 1 351.494 4.090 20 0 FIADMP C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602837 1118583466 /nfs/dbraw/zinc/58/34/66/1118583466.db2.gz BKNIUIWLKDUNRG-CABCVRRESA-N 2 1 354.897 4.101 20 0 FIADMP CC[C@H]([NH2+]CC(C)C[NH2+][C@@H](CC)c1c(C)noc1C)c1c(C)noc1C ZINC000541633652 1118590733 /nfs/dbraw/zinc/59/07/33/1118590733.db2.gz HSASGRHBYHTADK-ROUUACIJSA-N 2 1 362.518 4.314 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000541909464 1118697317 /nfs/dbraw/zinc/69/73/17/1118697317.db2.gz LJBUFCSSRJPLMD-AWEZNQCLSA-N 2 1 363.299 4.093 20 0 FIADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000541909464 1118697319 /nfs/dbraw/zinc/69/73/19/1118697319.db2.gz LJBUFCSSRJPLMD-AWEZNQCLSA-N 2 1 363.299 4.093 20 0 FIADMP C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844521 1118719465 /nfs/dbraw/zinc/71/94/65/1118719465.db2.gz AZQGXECMIOJUDS-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[N@@H+](CCOc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844521 1118719467 /nfs/dbraw/zinc/71/94/67/1118719467.db2.gz AZQGXECMIOJUDS-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844521 1118719470 /nfs/dbraw/zinc/71/94/70/1118719470.db2.gz AZQGXECMIOJUDS-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP C[NH+](CCOc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844521 1118719472 /nfs/dbraw/zinc/71/94/72/1118719472.db2.gz AZQGXECMIOJUDS-IBGZPJMESA-N 2 1 358.913 4.173 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000541955745 1118720882 /nfs/dbraw/zinc/72/08/82/1118720882.db2.gz RNFIGRVTSFXXPA-MSOLQXFVSA-N 2 1 370.541 4.162 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000541955277 1118721434 /nfs/dbraw/zinc/72/14/34/1118721434.db2.gz IMRJNPLESLBCAY-IRXDYDNUSA-N 2 1 362.477 4.167 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(F)c3)CC2)cs1 ZINC000174077119 1119091380 /nfs/dbraw/zinc/09/13/80/1119091380.db2.gz MWLSAAQJFKSPQL-OAHLLOKOSA-N 2 1 361.530 4.407 20 0 FIADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168447572 1119292203 /nfs/dbraw/zinc/29/22/03/1119292203.db2.gz XZGKWZGHWTZJTD-HSZRJFAPSA-N 2 1 370.487 4.419 20 0 FIADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168447572 1119292205 /nfs/dbraw/zinc/29/22/05/1119292205.db2.gz XZGKWZGHWTZJTD-HSZRJFAPSA-N 2 1 370.487 4.419 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000542464848 1119338979 /nfs/dbraw/zinc/33/89/79/1119338979.db2.gz LYGFYHVOCKXAJJ-QVKFZJNVSA-N 2 1 350.441 4.298 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178012358 1119364967 /nfs/dbraw/zinc/36/49/67/1119364967.db2.gz OZBWDWNTKLUOQQ-GKVSMKOHSA-N 2 1 358.551 4.115 20 0 FIADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178134513 1119373072 /nfs/dbraw/zinc/37/30/72/1119373072.db2.gz VSMYYTMQGZMOCK-KSZLIROESA-N 2 1 354.542 4.057 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)[C@H](C)C1 ZINC000178332865 1119384439 /nfs/dbraw/zinc/38/44/39/1119384439.db2.gz KIEZGZWTGNLMSX-HLAWJBBLSA-N 2 1 372.553 4.160 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)[C@H](C)C1 ZINC000178332865 1119384442 /nfs/dbraw/zinc/38/44/42/1119384442.db2.gz KIEZGZWTGNLMSX-HLAWJBBLSA-N 2 1 372.553 4.160 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771338 1119388931 /nfs/dbraw/zinc/38/89/31/1119388931.db2.gz GOFACDYYTCHQQF-KPDCDPCYSA-N 2 1 350.506 4.183 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311859758 1119392633 /nfs/dbraw/zinc/39/26/33/1119392633.db2.gz UXICNPXCASZHOC-JQVVWYNYSA-N 2 1 352.522 4.126 20 0 FIADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892245 1119393338 /nfs/dbraw/zinc/39/33/38/1119393338.db2.gz YPKVVOBZLJVWSK-YADHBBJMSA-N 2 1 356.554 4.228 20 0 FIADMP COCc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312048550 1119397645 /nfs/dbraw/zinc/39/76/45/1119397645.db2.gz AVZHJKGLYPITOH-QHCPKHFHSA-N 2 1 352.522 4.225 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000542465703 1119448401 /nfs/dbraw/zinc/44/84/01/1119448401.db2.gz JZDJXFAKNOTEKE-GOSISDBHSA-N 2 1 372.582 4.410 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CC(OCc4ccccc4)C3)C2)c1 ZINC000493938613 1119512328 /nfs/dbraw/zinc/51/23/28/1119512328.db2.gz ZXACTGAFZDZMBB-MWXLCCTBSA-N 2 1 370.562 4.298 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC(OCc4ccccc4)C3)C2)c1 ZINC000493938613 1119512335 /nfs/dbraw/zinc/51/23/35/1119512335.db2.gz ZXACTGAFZDZMBB-MWXLCCTBSA-N 2 1 370.562 4.298 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1F ZINC000493953487 1119516091 /nfs/dbraw/zinc/51/60/91/1119516091.db2.gz UJTVJLWUTYNYSY-UHFFFAOYSA-N 2 1 365.452 4.157 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000542471888 1119522669 /nfs/dbraw/zinc/52/26/69/1119522669.db2.gz VKFHAQCJSPXNMF-JTSKRJEESA-N 2 1 363.505 4.275 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000183197470 1119568436 /nfs/dbraw/zinc/56/84/36/1119568436.db2.gz PDHLEFUGGIWOCK-FGTMMUONSA-N 2 1 360.542 4.316 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183196461 1119568479 /nfs/dbraw/zinc/56/84/79/1119568479.db2.gz NHPKBHIHABRBKT-WAOWUJCRSA-N 2 1 366.553 4.484 20 0 FIADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183911746 1119588419 /nfs/dbraw/zinc/58/84/19/1119588419.db2.gz IWSQHQJBUGPJDY-GOTSBHOMSA-N 2 1 362.517 4.114 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000187330465 1119777980 /nfs/dbraw/zinc/77/79/80/1119777980.db2.gz LFHZBLRIRJGZHE-LJQANCHMSA-N 2 1 367.537 4.215 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000187330465 1119777984 /nfs/dbraw/zinc/77/79/84/1119777984.db2.gz LFHZBLRIRJGZHE-LJQANCHMSA-N 2 1 367.537 4.215 20 0 FIADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000017314028 1119875356 /nfs/dbraw/zinc/87/53/56/1119875356.db2.gz WPLZJJQKHMILSB-UHFFFAOYSA-N 2 1 374.532 4.340 20 0 FIADMP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000017313984 1119875494 /nfs/dbraw/zinc/87/54/94/1119875494.db2.gz LCSYYKGKXLWSDV-UHFFFAOYSA-N 2 1 374.532 4.286 20 0 FIADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000542484505 1119905791 /nfs/dbraw/zinc/90/57/91/1119905791.db2.gz HIPXXFPBPOTRDC-ZHRRBRCNSA-N 2 1 362.477 4.167 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000190843370 1119950806 /nfs/dbraw/zinc/95/08/06/1119950806.db2.gz GSAWODOLDPDDDT-UHFFFAOYSA-N 2 1 353.510 4.145 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CCS2 ZINC000191547234 1119983689 /nfs/dbraw/zinc/98/36/89/1119983689.db2.gz JPOVLYGLMQDKSX-RZQQEMMASA-N 2 1 360.567 4.475 20 0 FIADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192727617 1120078292 /nfs/dbraw/zinc/07/82/92/1120078292.db2.gz JZJUYAZFAHHKKK-GOTSBHOMSA-N 2 1 357.586 4.061 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCS2 ZINC000195133641 1120120135 /nfs/dbraw/zinc/12/01/35/1120120135.db2.gz ZYHVIROFDURBMO-WIYYLYMNSA-N 2 1 368.546 4.344 20 0 FIADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1F ZINC000194733205 1120298984 /nfs/dbraw/zinc/29/89/84/1120298984.db2.gz FCAJLSASZWLTMJ-MRXNPFEDSA-N 2 1 372.488 4.053 20 0 FIADMP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)ccc1F ZINC000194740724 1120299565 /nfs/dbraw/zinc/29/95/65/1120299565.db2.gz BQSZNEIOZBQDOG-MRXNPFEDSA-N 2 1 372.488 4.053 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000495089047 1120469096 /nfs/dbraw/zinc/46/90/96/1120469096.db2.gz XBZOKMYZHXXRHF-KNKQGSTJSA-N 2 1 362.533 4.251 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495105411 1120477194 /nfs/dbraw/zinc/47/71/94/1120477194.db2.gz BRMCMPBXMWGHLH-UWJYYQICSA-N 2 1 368.569 4.255 20 0 FIADMP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410139 1120788304 /nfs/dbraw/zinc/78/83/04/1120788304.db2.gz TYPRIYGSCDIKHJ-UNMCSNQZSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495410139 1120788313 /nfs/dbraw/zinc/78/83/13/1120788313.db2.gz TYPRIYGSCDIKHJ-UNMCSNQZSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495410139 1120788321 /nfs/dbraw/zinc/78/83/21/1120788321.db2.gz TYPRIYGSCDIKHJ-UNMCSNQZSA-N 3 1 369.597 4.284 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425508 1120801412 /nfs/dbraw/zinc/80/14/12/1120801412.db2.gz BYNZUPASDYSXIL-RXVVDRJESA-N 2 1 367.537 4.259 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425508 1120801423 /nfs/dbraw/zinc/80/14/23/1120801423.db2.gz BYNZUPASDYSXIL-RXVVDRJESA-N 2 1 367.537 4.259 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000495428800 1120804219 /nfs/dbraw/zinc/80/42/19/1120804219.db2.gz ZOGQLWCOQPYEQL-QQUTXWOLSA-N 2 1 358.570 4.470 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000495428800 1120804226 /nfs/dbraw/zinc/80/42/26/1120804226.db2.gz ZOGQLWCOQPYEQL-QQUTXWOLSA-N 2 1 358.570 4.470 20 0 FIADMP c1ccc(C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)c2ccccc2)cc1 ZINC000495485878 1120855103 /nfs/dbraw/zinc/85/51/03/1120855103.db2.gz YOUSSUKBOCDDCX-QHCPKHFHSA-N 2 1 364.533 4.205 20 0 FIADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000915688988 1121022236 /nfs/dbraw/zinc/02/22/36/1121022236.db2.gz AVVOZJOWKBLZKX-SFHVURJKSA-N 2 1 359.558 4.192 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073747 1121107104 /nfs/dbraw/zinc/10/71/04/1121107104.db2.gz RAVDLHVHFJSGOQ-FUHWJXTLSA-N 2 1 368.550 4.225 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073747 1121107107 /nfs/dbraw/zinc/10/71/07/1121107107.db2.gz RAVDLHVHFJSGOQ-FUHWJXTLSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073747 1121107110 /nfs/dbraw/zinc/10/71/10/1121107110.db2.gz RAVDLHVHFJSGOQ-FUHWJXTLSA-N 2 1 368.550 4.225 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3sccn23)[C@@H](C)C1 ZINC000763073747 1121107116 /nfs/dbraw/zinc/10/71/16/1121107116.db2.gz RAVDLHVHFJSGOQ-FUHWJXTLSA-N 2 1 368.550 4.225 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000075780802 1121315875 /nfs/dbraw/zinc/31/58/75/1121315875.db2.gz HSHAGZJUTVRKIH-HNNXBMFYSA-N 2 1 366.933 4.101 20 0 FIADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000058061118 1121390063 /nfs/dbraw/zinc/39/00/63/1121390063.db2.gz METXCUFNCKYHBP-HNNXBMFYSA-N 2 1 355.507 4.376 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000058061118 1121390071 /nfs/dbraw/zinc/39/00/71/1121390071.db2.gz METXCUFNCKYHBP-HNNXBMFYSA-N 2 1 355.507 4.376 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000062427112 1121540807 /nfs/dbraw/zinc/54/08/07/1121540807.db2.gz LERYXOUHYVSUFB-FQEVSTJZSA-N 2 1 374.532 4.359 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763411225 1121580309 /nfs/dbraw/zinc/58/03/09/1121580309.db2.gz CKHWTIWTTRGGLU-BWPNAZKDSA-N 2 1 358.551 4.203 20 0 FIADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000763411225 1121580321 /nfs/dbraw/zinc/58/03/21/1121580321.db2.gz CKHWTIWTTRGGLU-BWPNAZKDSA-N 2 1 358.551 4.203 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000037643994 1121586684 /nfs/dbraw/zinc/58/66/84/1121586684.db2.gz QCVZUJFOSXVWKG-STQMWFEESA-N 2 1 351.288 4.188 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000037643994 1121586695 /nfs/dbraw/zinc/58/66/95/1121586695.db2.gz QCVZUJFOSXVWKG-STQMWFEESA-N 2 1 351.288 4.188 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)c1 ZINC000123977002 1121651869 /nfs/dbraw/zinc/65/18/69/1121651869.db2.gz RTGLRJSLWIZHET-LJQANCHMSA-N 2 1 362.521 4.234 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cc1OCC ZINC000063917646 1121727612 /nfs/dbraw/zinc/72/76/12/1121727612.db2.gz QKDNMOGAKXCFRW-MRXNPFEDSA-N 2 1 368.949 4.349 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1OCC ZINC000063917646 1121727622 /nfs/dbraw/zinc/72/76/22/1121727622.db2.gz QKDNMOGAKXCFRW-MRXNPFEDSA-N 2 1 368.949 4.349 20 0 FIADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000063917557 1121728175 /nfs/dbraw/zinc/72/81/75/1121728175.db2.gz QYXLITLWTLXMME-HNNXBMFYSA-N 2 1 355.507 4.378 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000063917557 1121728185 /nfs/dbraw/zinc/72/81/85/1121728185.db2.gz QYXLITLWTLXMME-HNNXBMFYSA-N 2 1 355.507 4.378 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000124958556 1121734801 /nfs/dbraw/zinc/73/48/01/1121734801.db2.gz GXEXZRLHHNJPSA-XGHQBKJUSA-N 2 1 369.509 4.091 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)ccn2)cc1 ZINC000124958556 1121734812 /nfs/dbraw/zinc/73/48/12/1121734812.db2.gz GXEXZRLHHNJPSA-XGHQBKJUSA-N 2 1 369.509 4.091 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000125129767 1121748536 /nfs/dbraw/zinc/74/85/36/1121748536.db2.gz DXJRMASIRKQMTE-ZWKOTPCHSA-N 2 1 366.505 4.334 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000125429906 1121778806 /nfs/dbraw/zinc/77/88/06/1121778806.db2.gz OWSLUUKKFZWJMW-NJNPRVFISA-N 2 1 365.521 4.066 20 0 FIADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000125429906 1121778815 /nfs/dbraw/zinc/77/88/15/1121778815.db2.gz OWSLUUKKFZWJMW-NJNPRVFISA-N 2 1 365.521 4.066 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000917008852 1121995345 /nfs/dbraw/zinc/99/53/45/1121995345.db2.gz SXGUFALSCXEEIA-AOMKIAJQSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837097 1122015711 /nfs/dbraw/zinc/01/57/11/1122015711.db2.gz CRFSNDLUTXDSDK-SJORKVTESA-N 2 1 372.534 4.082 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837097 1122015724 /nfs/dbraw/zinc/01/57/24/1122015724.db2.gz CRFSNDLUTXDSDK-SJORKVTESA-N 2 1 372.534 4.082 20 0 FIADMP COCCNc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000127115953 1122050983 /nfs/dbraw/zinc/05/09/83/1122050983.db2.gz PVYCSNMBACUHDO-KRWDZBQOSA-N 2 1 364.493 4.090 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000127512365 1122109110 /nfs/dbraw/zinc/10/91/10/1122109110.db2.gz WHLNJZCKOWPIFS-QFIPXVFZSA-N 2 1 374.544 4.304 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000765813907 1122110894 /nfs/dbraw/zinc/11/08/94/1122110894.db2.gz GZEBBVRGWCUJKC-QVKFZJNVSA-N 2 1 369.896 4.392 20 0 FIADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000128183617 1122202202 /nfs/dbraw/zinc/20/22/02/1122202202.db2.gz KTZMTRLVMRHOAQ-ZWKOTPCHSA-N 2 1 353.510 4.149 20 0 FIADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c2C1 ZINC000262653104 1122335920 /nfs/dbraw/zinc/33/59/20/1122335920.db2.gz SCUXUQKVEFZBBW-ROUUACIJSA-N 2 1 357.542 4.013 20 0 FIADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000497658540 1122341577 /nfs/dbraw/zinc/34/15/77/1122341577.db2.gz ZHQFCQUOOYPEGP-MSOLQXFVSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000497658540 1122341579 /nfs/dbraw/zinc/34/15/79/1122341579.db2.gz ZHQFCQUOOYPEGP-MSOLQXFVSA-N 2 1 372.557 4.007 20 0 FIADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000497658540 1122341581 /nfs/dbraw/zinc/34/15/81/1122341581.db2.gz ZHQFCQUOOYPEGP-MSOLQXFVSA-N 2 1 372.557 4.007 20 0 FIADMP OC(C[NH+]1CCC[C@@H]1c1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000497760287 1122395763 /nfs/dbraw/zinc/39/57/63/1122395763.db2.gz XWBGXDDJPWYLQB-DHIUTWEWSA-N 2 1 350.506 4.022 20 0 FIADMP OC(C[NH+]1CCC[C@@H]1c1ccccc1)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000497760287 1122395767 /nfs/dbraw/zinc/39/57/67/1122395767.db2.gz XWBGXDDJPWYLQB-DHIUTWEWSA-N 2 1 350.506 4.022 20 0 FIADMP C[N@H+]1CC[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1c1ccccc1 ZINC000556053488 1122625798 /nfs/dbraw/zinc/62/57/98/1122625798.db2.gz TVUPZEYJAALGKY-HJOGWXRNSA-N 2 1 363.549 4.249 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556104641 1122657601 /nfs/dbraw/zinc/65/76/01/1122657601.db2.gz FQUPPNIMBZZSNO-XZOQPEGZSA-N 3 1 357.586 4.170 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556104641 1122657605 /nfs/dbraw/zinc/65/76/05/1122657605.db2.gz FQUPPNIMBZZSNO-XZOQPEGZSA-N 3 1 357.586 4.170 20 0 FIADMP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129872211 1122706352 /nfs/dbraw/zinc/70/63/52/1122706352.db2.gz FEDBLYWWWRSYLK-JOCHJYFZSA-N 2 1 366.553 4.352 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000556257788 1122768477 /nfs/dbraw/zinc/76/84/77/1122768477.db2.gz MYLFEMPRFVYEBK-UWJYYQICSA-N 2 1 372.940 4.391 20 0 FIADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1Cl ZINC000556257788 1122768481 /nfs/dbraw/zinc/76/84/81/1122768481.db2.gz MYLFEMPRFVYEBK-UWJYYQICSA-N 2 1 372.940 4.391 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cnn(-c3ccccc3)c2)cc1 ZINC000130400241 1122841853 /nfs/dbraw/zinc/84/18/53/1122841853.db2.gz WEYXPXJFCKSWJW-GOSISDBHSA-N 2 1 371.488 4.260 20 0 FIADMP COc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000131038854 1122967495 /nfs/dbraw/zinc/96/74/95/1122967495.db2.gz PNMWFIOHOYGWEC-INIZCTEOSA-N 2 1 365.477 4.091 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000556587038 1122988596 /nfs/dbraw/zinc/98/85/96/1122988596.db2.gz ZCPPCZOZOKSZML-MOPGFXCFSA-N 2 1 370.459 4.042 20 0 FIADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Br)c(Cl)c2F)CC1 ZINC001236214242 1123063193 /nfs/dbraw/zinc/06/31/93/1123063193.db2.gz ABMITSFHTHAMGB-UHFFFAOYSA-N 2 1 363.702 4.204 20 0 FIADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556871812 1123152904 /nfs/dbraw/zinc/15/29/04/1123152904.db2.gz MXXHRQKNRHDLBI-XBYSBRQOSA-N 2 1 358.570 4.066 20 0 FIADMP CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000556889467 1123174803 /nfs/dbraw/zinc/17/48/03/1123174803.db2.gz HSFPGQKGNJHIOK-DVECYGJZSA-N 2 1 366.549 4.303 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc2n[nH]cc2c1 ZINC000556923533 1123233075 /nfs/dbraw/zinc/23/30/75/1123233075.db2.gz KWIJFDYDYRLPFL-RAQQXGOJSA-N 2 1 360.505 4.124 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1)C(C)C ZINC000132498383 1123271433 /nfs/dbraw/zinc/27/14/33/1123271433.db2.gz HAGZUSPDEKFVAY-UHFFFAOYSA-N 2 1 373.585 4.111 20 0 FIADMP CCC(CC)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000499146318 1123288074 /nfs/dbraw/zinc/28/80/74/1123288074.db2.gz KUOQYSVYUBGFKU-BXXSPATCSA-N 2 1 357.586 4.138 20 0 FIADMP CC(C)(CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000499149339 1123292776 /nfs/dbraw/zinc/29/27/76/1123292776.db2.gz UZFXQVLLUNZXPR-KOUNCHBCSA-N 2 1 355.570 4.036 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sc1C ZINC000499163954 1123301579 /nfs/dbraw/zinc/30/15/79/1123301579.db2.gz JIWGDMBZOBABLS-ACDBMABISA-N 2 1 369.578 4.342 20 0 FIADMP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)s2)cc1 ZINC000557013837 1123308724 /nfs/dbraw/zinc/30/87/24/1123308724.db2.gz KZRICRPFQJQPRW-HMXCVIKNSA-N 2 1 370.562 4.407 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000074222251 1123316250 /nfs/dbraw/zinc/31/62/50/1123316250.db2.gz YYTHPELWBSVPLJ-SFHVURJKSA-N 2 1 368.525 4.410 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000074222251 1123316256 /nfs/dbraw/zinc/31/62/56/1123316256.db2.gz YYTHPELWBSVPLJ-SFHVURJKSA-N 2 1 368.525 4.410 20 0 FIADMP Cc1cc(F)ccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499191623 1123320127 /nfs/dbraw/zinc/32/01/27/1123320127.db2.gz MGRSUAFKIOKRIM-NUNAXRQHSA-N 2 1 352.497 4.462 20 0 FIADMP C[NH+](C)CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217779 1123333332 /nfs/dbraw/zinc/33/33/32/1123333332.db2.gz WONJHVRJFMLZTB-KJJMTIBFSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217779 1123333336 /nfs/dbraw/zinc/33/33/36/1123333336.db2.gz WONJHVRJFMLZTB-KJJMTIBFSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217779 1123333341 /nfs/dbraw/zinc/33/33/41/1123333341.db2.gz WONJHVRJFMLZTB-KJJMTIBFSA-N 3 1 357.586 4.138 20 0 FIADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232165 1123340702 /nfs/dbraw/zinc/34/07/02/1123340702.db2.gz GOWJZYVXIDNGMG-UVUJQTEASA-N 2 1 350.506 4.239 20 0 FIADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[N@H+](CC4CCCC4)C2)C3)cc1 ZINC000499256251 1123367135 /nfs/dbraw/zinc/36/71/35/1123367135.db2.gz PAJBZMAPPSKBJU-NEWJYFPISA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256251 1123367138 /nfs/dbraw/zinc/36/71/38/1123367138.db2.gz PAJBZMAPPSKBJU-NEWJYFPISA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256251 1123367142 /nfs/dbraw/zinc/36/71/42/1123367142.db2.gz PAJBZMAPPSKBJU-NEWJYFPISA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[N@H+](CC4CCCC4)C2)C3)cc1 ZINC000499256253 1123367172 /nfs/dbraw/zinc/36/71/72/1123367172.db2.gz PAJBZMAPPSKBJU-YCAMKHIRSA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256253 1123367177 /nfs/dbraw/zinc/36/71/77/1123367177.db2.gz PAJBZMAPPSKBJU-YCAMKHIRSA-N 2 1 367.581 4.036 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[NH+](CC4CCCC4)C2)C3)cc1 ZINC000499256253 1123367179 /nfs/dbraw/zinc/36/71/79/1123367179.db2.gz PAJBZMAPPSKBJU-YCAMKHIRSA-N 2 1 367.581 4.036 20 0 FIADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000920179161 1123396161 /nfs/dbraw/zinc/39/61/61/1123396161.db2.gz BNLVXQAUFIUORY-KRWDZBQOSA-N 2 1 374.960 4.436 20 0 FIADMP CCCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000236729627 1123556979 /nfs/dbraw/zinc/55/69/79/1123556979.db2.gz RCQBEYFYEJVTOD-IHWFROFDSA-N 2 1 360.542 4.369 20 0 FIADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000236969341 1123586918 /nfs/dbraw/zinc/58/69/18/1123586918.db2.gz HTUVPGWDTOABBD-CTNGQTDRSA-N 2 1 374.569 4.235 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000134172013 1123599838 /nfs/dbraw/zinc/59/98/38/1123599838.db2.gz SUWUSMIBSCZOFA-UHFFFAOYSA-N 2 1 368.525 4.213 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000237419536 1123628159 /nfs/dbraw/zinc/62/81/59/1123628159.db2.gz WFLGLQSRSXFKHI-KRWDZBQOSA-N 2 1 365.525 4.101 20 0 FIADMP COc1ccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000078704690 1123800480 /nfs/dbraw/zinc/80/04/80/1123800480.db2.gz PDCRYLAKVAUYFM-WOJBJXKFSA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccc(OCCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000078704690 1123800487 /nfs/dbraw/zinc/80/04/87/1123800487.db2.gz PDCRYLAKVAUYFM-WOJBJXKFSA-N 2 1 360.542 4.051 20 0 FIADMP COc1ccc(OCCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000078704690 1123800498 /nfs/dbraw/zinc/80/04/98/1123800498.db2.gz PDCRYLAKVAUYFM-WOJBJXKFSA-N 2 1 360.542 4.051 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000064615966 1123870373 /nfs/dbraw/zinc/87/03/73/1123870373.db2.gz XQXNFPNNYYMXSK-INIZCTEOSA-N 2 1 370.522 4.041 20 0 FIADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000064615966 1123870377 /nfs/dbraw/zinc/87/03/77/1123870377.db2.gz XQXNFPNNYYMXSK-INIZCTEOSA-N 2 1 370.522 4.041 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C)C1 ZINC000245445710 1124035260 /nfs/dbraw/zinc/03/52/60/1124035260.db2.gz ZDSXSJDVIZYNHR-PGRDOPGGSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C)C1 ZINC000245445710 1124035265 /nfs/dbraw/zinc/03/52/65/1124035265.db2.gz ZDSXSJDVIZYNHR-PGRDOPGGSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C)C1 ZINC000245445710 1124035271 /nfs/dbraw/zinc/03/52/71/1124035271.db2.gz ZDSXSJDVIZYNHR-PGRDOPGGSA-N 2 1 365.521 4.101 20 0 FIADMP OCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000245642335 1124158874 /nfs/dbraw/zinc/15/88/74/1124158874.db2.gz AZQRXMJWKMAMHG-KOUNCHBCSA-N 2 1 356.554 4.105 20 0 FIADMP CCOCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000245654053 1124168476 /nfs/dbraw/zinc/16/84/76/1124168476.db2.gz DDMDBHLDRFSOFR-KOUNCHBCSA-N 2 1 356.554 4.369 20 0 FIADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000123078866 1124183951 /nfs/dbraw/zinc/18/39/51/1124183951.db2.gz DGPWBNVNQHQJTQ-UHFFFAOYSA-N 2 1 374.960 4.164 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245682683 1124193691 /nfs/dbraw/zinc/19/36/91/1124193691.db2.gz JBTFSLNIQNLGRY-KOUNCHBCSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ncc(Br)s1 ZINC000245701782 1124209597 /nfs/dbraw/zinc/20/95/97/1124209597.db2.gz WSWKTZBCSMSABE-QWHCGFSZSA-N 2 1 360.365 4.211 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759106 1124243241 /nfs/dbraw/zinc/24/32/41/1124243241.db2.gz PIOWPXBIPWSJRH-SIKLNZKXSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759106 1124243247 /nfs/dbraw/zinc/24/32/47/1124243247.db2.gz PIOWPXBIPWSJRH-SIKLNZKXSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759106 1124243253 /nfs/dbraw/zinc/24/32/53/1124243253.db2.gz PIOWPXBIPWSJRH-SIKLNZKXSA-N 2 1 367.537 4.192 20 0 FIADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000245759106 1124243258 /nfs/dbraw/zinc/24/32/58/1124243258.db2.gz PIOWPXBIPWSJRH-SIKLNZKXSA-N 2 1 367.537 4.192 20 0 FIADMP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245777230 1124246968 /nfs/dbraw/zinc/24/69/68/1124246968.db2.gz YINVJLKHYSORAP-PFDCGNQRSA-N 2 1 364.537 4.152 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000245844686 1124262515 /nfs/dbraw/zinc/26/25/15/1124262515.db2.gz DLLGKJWGMBTUPU-UTKZUKDTSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000245844686 1124262523 /nfs/dbraw/zinc/26/25/23/1124262523.db2.gz DLLGKJWGMBTUPU-UTKZUKDTSA-N 2 1 352.526 4.035 20 0 FIADMP c1[nH+]c2cc(N[C@H]3CCNc4ccccc43)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168648038 1124325754 /nfs/dbraw/zinc/32/57/54/1124325754.db2.gz ZILDJANJUCMYEL-PXNSSMCTSA-N 2 1 361.493 4.320 20 0 FIADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163023 1124377302 /nfs/dbraw/zinc/37/73/02/1124377302.db2.gz UQRTVQXYKGGQMI-RZQQEMMASA-N 2 1 368.550 4.369 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000246163023 1124377310 /nfs/dbraw/zinc/37/73/10/1124377310.db2.gz UQRTVQXYKGGQMI-RZQQEMMASA-N 2 1 368.550 4.369 20 0 FIADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1C ZINC000542852111 1124465045 /nfs/dbraw/zinc/46/50/45/1124465045.db2.gz QPCMNONXZYERAX-NFBKMPQASA-N 2 1 366.549 4.419 20 0 FIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246378847 1124477474 /nfs/dbraw/zinc/47/74/74/1124477474.db2.gz JXFBYJMUEAABCV-PWIZWCRZSA-N 2 1 356.510 4.160 20 0 FIADMP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246805632 1124562430 /nfs/dbraw/zinc/56/24/30/1124562430.db2.gz AHWSGHCEMWOZDJ-CEXWTWQISA-N 2 1 368.521 4.155 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000246996031 1124579730 /nfs/dbraw/zinc/57/97/30/1124579730.db2.gz KKBKRAMKAHPFGL-CEXWTWQISA-N 2 1 368.521 4.155 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1OC ZINC000247006994 1124581018 /nfs/dbraw/zinc/58/10/18/1124581018.db2.gz KZFUODZGBRPBFI-AVRDEDQJSA-N 2 1 368.521 4.157 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1OC ZINC000247006994 1124581020 /nfs/dbraw/zinc/58/10/20/1124581020.db2.gz KZFUODZGBRPBFI-AVRDEDQJSA-N 2 1 368.521 4.157 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000247025234 1124583348 /nfs/dbraw/zinc/58/33/48/1124583348.db2.gz LWQPKEWUVJJIIN-OALUTQOASA-N 2 1 368.521 4.157 20 0 FIADMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000247025234 1124583350 /nfs/dbraw/zinc/58/33/50/1124583350.db2.gz LWQPKEWUVJJIIN-OALUTQOASA-N 2 1 368.521 4.157 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)C[C@H](C)O1 ZINC000247111000 1124591200 /nfs/dbraw/zinc/59/12/00/1124591200.db2.gz QNSFWKMFYYHING-IXFSTUDKSA-N 2 1 350.506 4.073 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)s1 ZINC000247119965 1124592393 /nfs/dbraw/zinc/59/23/93/1124592393.db2.gz RBAXWYQYOROBKE-RDJZCZTQSA-N 2 1 358.551 4.436 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)s1 ZINC000247119965 1124592397 /nfs/dbraw/zinc/59/23/97/1124592397.db2.gz RBAXWYQYOROBKE-RDJZCZTQSA-N 2 1 358.551 4.436 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000248047833 1124740569 /nfs/dbraw/zinc/74/05/69/1124740569.db2.gz VNWCCVZKFKNFLC-HZPDHXFCSA-N 2 1 358.555 4.429 20 0 FIADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000248047833 1124740573 /nfs/dbraw/zinc/74/05/73/1124740573.db2.gz VNWCCVZKFKNFLC-HZPDHXFCSA-N 2 1 358.555 4.429 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248454496 1124771789 /nfs/dbraw/zinc/77/17/89/1124771789.db2.gz ZKUIYLUBNJQXIH-KOUNCHBCSA-N 2 1 359.517 4.496 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000248456383 1124772015 /nfs/dbraw/zinc/77/20/15/1124772015.db2.gz SFTQVWOJHJWXRA-LADGPHEKSA-N 2 1 364.533 4.119 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000248453561 1124772261 /nfs/dbraw/zinc/77/22/61/1124772261.db2.gz QPBDILSMPIAEPJ-ZJPYXAASSA-N 2 1 368.525 4.009 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000089703875 1124929068 /nfs/dbraw/zinc/92/90/68/1124929068.db2.gz RFXGYUNMWKJZKQ-MRXNPFEDSA-N 2 1 366.278 4.150 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000672619379 1125203934 /nfs/dbraw/zinc/20/39/34/1125203934.db2.gz MJJFCCUEQRUQHS-AGHHOFFYSA-N 2 1 372.940 4.059 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000672619379 1125203942 /nfs/dbraw/zinc/20/39/42/1125203942.db2.gz MJJFCCUEQRUQHS-AGHHOFFYSA-N 2 1 372.940 4.059 20 0 FIADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)c1cccc(O)c1 ZINC000255165600 1125209260 /nfs/dbraw/zinc/20/92/60/1125209260.db2.gz CIQQRCAGPRWCLO-SPCWZHTESA-N 2 1 354.494 4.340 20 0 FIADMP C[C@H](c1cccc(O)c1)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000255165600 1125209264 /nfs/dbraw/zinc/20/92/64/1125209264.db2.gz CIQQRCAGPRWCLO-SPCWZHTESA-N 2 1 354.494 4.340 20 0 FIADMP C[C@H](c1cccc(O)c1)[NH+](C)C/C=C\C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000255165600 1125209269 /nfs/dbraw/zinc/20/92/69/1125209269.db2.gz CIQQRCAGPRWCLO-SPCWZHTESA-N 2 1 354.494 4.340 20 0 FIADMP CC(C)[NH+](C/C=C\C[N@@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000618613217 1125215164 /nfs/dbraw/zinc/21/51/64/1125215164.db2.gz VSVQKLWYVHEUTJ-KTKRTIGZSA-N 2 1 352.526 4.154 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)c1 ZINC000093065965 1125264163 /nfs/dbraw/zinc/26/41/63/1125264163.db2.gz AYKMXNILZKQBGO-UHFFFAOYSA-N 2 1 362.521 4.217 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000093370241 1125316507 /nfs/dbraw/zinc/31/65/07/1125316507.db2.gz XPLDNXUHETXOSS-JOCHJYFZSA-N 2 1 368.521 4.077 20 0 FIADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000065981530 1125441439 /nfs/dbraw/zinc/44/14/39/1125441439.db2.gz DJOCXISKFXFDSX-OAHLLOKOSA-N 2 1 359.901 4.022 20 0 FIADMP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000312010648 568233167 /nfs/dbraw/zinc/23/31/67/568233167.db2.gz RSYITHVEBYTHCC-XXBNENTESA-N 2 1 350.506 4.271 20 0 FIADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C(C)(C)C ZINC000604770666 568363000 /nfs/dbraw/zinc/36/30/00/568363000.db2.gz ATDFOODUTCUQLL-IBGZPJMESA-N 2 1 362.949 4.041 20 0 FIADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644122 1125470055 /nfs/dbraw/zinc/47/00/55/1125470055.db2.gz HWXPMZNUASFROC-PXNSSMCTSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644122 1125470061 /nfs/dbraw/zinc/47/00/61/1125470061.db2.gz HWXPMZNUASFROC-PXNSSMCTSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644122 1125470065 /nfs/dbraw/zinc/47/00/65/1125470065.db2.gz HWXPMZNUASFROC-PXNSSMCTSA-N 2 1 368.521 4.285 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644122 1125470067 /nfs/dbraw/zinc/47/00/67/1125470067.db2.gz HWXPMZNUASFROC-PXNSSMCTSA-N 2 1 368.521 4.285 20 0 FIADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000182507100 1125539822 /nfs/dbraw/zinc/53/98/22/1125539822.db2.gz SEQDOMADJUIPEF-GOSISDBHSA-N 3 1 373.585 4.062 20 0 FIADMP c1cc(-c2ncc(CNCCC[N@@H+]3CCc4ccccc4C3)s2)cs1 ZINC001648785973 1079585835 /nfs/dbraw/zinc/58/58/35/1079585835.db2.gz OPGWGAVTXGNWRK-UHFFFAOYSA-N 2 1 369.559 4.410 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546780 1079670346 /nfs/dbraw/zinc/67/03/46/1079670346.db2.gz URUZWMCRCJMTAR-YJBOKZPZSA-N 2 1 355.551 4.368 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180110435 1080449437 /nfs/dbraw/zinc/44/94/37/1080449437.db2.gz JQMILCOEVPWARA-XMMPIXPASA-N 2 1 365.565 4.092 20 0 FIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000180576914 1080520503 /nfs/dbraw/zinc/52/05/03/1080520503.db2.gz BQURFVWVZFIMEL-GBXCKJPGSA-N 2 1 364.533 4.175 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1 ZINC000180642205 1080532031 /nfs/dbraw/zinc/53/20/31/1080532031.db2.gz VMMHKDSPCDHYHF-KOSHJBKYSA-N 2 1 360.501 4.257 20 0 FIADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)cc1 ZINC000180797888 1080549413 /nfs/dbraw/zinc/54/94/13/1080549413.db2.gz LNWMFGWMYDUYQS-UHFFFAOYSA-N 2 1 366.461 4.302 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC001648795415 1080795868 /nfs/dbraw/zinc/79/58/68/1080795868.db2.gz OGUORQJEHUUYKZ-YJSIEXFISA-N 2 1 356.554 4.356 20 0 FIADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321218 1080806617 /nfs/dbraw/zinc/80/66/17/1080806617.db2.gz JTSHCPRVKMSUGD-VQIMIIECSA-N 2 1 365.443 4.217 20 0 FIADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321218 1080806629 /nfs/dbraw/zinc/80/66/29/1080806629.db2.gz JTSHCPRVKMSUGD-VQIMIIECSA-N 2 1 365.443 4.217 20 0 FIADMP Cc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCCCC2)c1 ZINC000655694624 1081120566 /nfs/dbraw/zinc/12/05/66/1081120566.db2.gz IKILKAYSVLTLDE-JOCHJYFZSA-N 2 1 356.554 4.040 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000655705179 1081126883 /nfs/dbraw/zinc/12/68/83/1081126883.db2.gz YIKWJUZFMPQBLT-ZBFHGGJFSA-N 2 1 371.352 4.330 20 0 FIADMP C[C@@H]1C[C@@H]1[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655731756 1081150361 /nfs/dbraw/zinc/15/03/61/1081150361.db2.gz ZBSCOHXNWOBJJA-HUJKARHJSA-N 2 1 362.945 4.270 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000121414454 1081243360 /nfs/dbraw/zinc/24/33/60/1081243360.db2.gz KIEKLUHLJCMYNI-IAGOWNOFSA-N 2 1 371.529 4.052 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851015 1081260691 /nfs/dbraw/zinc/26/06/91/1081260691.db2.gz AFYYQVGFAASVRR-NHCUHLMSSA-N 2 1 354.538 4.265 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851015 1081260695 /nfs/dbraw/zinc/26/06/95/1081260695.db2.gz AFYYQVGFAASVRR-NHCUHLMSSA-N 2 1 354.538 4.265 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851019 1081261042 /nfs/dbraw/zinc/26/10/42/1081261042.db2.gz AFYYQVGFAASVRR-SFTDATJTSA-N 2 1 354.538 4.265 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC23CC3)cc1 ZINC000655851019 1081261044 /nfs/dbraw/zinc/26/10/44/1081261044.db2.gz AFYYQVGFAASVRR-SFTDATJTSA-N 2 1 354.538 4.265 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000137691413 1081275369 /nfs/dbraw/zinc/27/53/69/1081275369.db2.gz XQZCUJGUNHQPLJ-FQEVSTJZSA-N 2 1 359.558 4.137 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000137691413 1081275372 /nfs/dbraw/zinc/27/53/72/1081275372.db2.gz XQZCUJGUNHQPLJ-FQEVSTJZSA-N 2 1 359.558 4.137 20 0 FIADMP Cc1cc(C)c(NC(=O)CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000137691413 1081275379 /nfs/dbraw/zinc/27/53/79/1081275379.db2.gz XQZCUJGUNHQPLJ-FQEVSTJZSA-N 2 1 359.558 4.137 20 0 FIADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311134 1081824325 /nfs/dbraw/zinc/82/43/25/1081824325.db2.gz YLRLNFFVWILPAK-FKBYEOEOSA-N 2 1 356.554 4.224 20 0 FIADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580311134 1081824338 /nfs/dbraw/zinc/82/43/38/1081824338.db2.gz YLRLNFFVWILPAK-FKBYEOEOSA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353577 1081877976 /nfs/dbraw/zinc/87/79/76/1081877976.db2.gz KIBRCJUFMSCEBM-UTKZUKDTSA-N 2 1 353.466 4.158 20 0 FIADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353577 1081877982 /nfs/dbraw/zinc/87/79/82/1081877982.db2.gz KIBRCJUFMSCEBM-UTKZUKDTSA-N 2 1 353.466 4.158 20 0 FIADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000580346019 1081880056 /nfs/dbraw/zinc/88/00/56/1081880056.db2.gz WTLBJUYHQYNKSD-BZSNNMDCSA-N 2 1 352.526 4.114 20 0 FIADMP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125126448 1081905322 /nfs/dbraw/zinc/90/53/22/1081905322.db2.gz QMFBZQPEWKLCFQ-XXBNENTESA-N 2 1 352.522 4.059 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398024983 1081914678 /nfs/dbraw/zinc/91/46/78/1081914678.db2.gz BWQMAKLQTYBNBI-XQBPLPMBSA-N 2 1 352.522 4.126 20 0 FIADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398024983 1081914680 /nfs/dbraw/zinc/91/46/80/1081914680.db2.gz BWQMAKLQTYBNBI-XQBPLPMBSA-N 2 1 352.522 4.126 20 0 FIADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483438 1081970440 /nfs/dbraw/zinc/97/04/40/1081970440.db2.gz FERVUFQXSBLOQC-NQIIRXRSSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483438 1081970444 /nfs/dbraw/zinc/97/04/44/1081970444.db2.gz FERVUFQXSBLOQC-NQIIRXRSSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483438 1081970449 /nfs/dbraw/zinc/97/04/49/1081970449.db2.gz FERVUFQXSBLOQC-NQIIRXRSSA-N 2 1 368.521 4.046 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1ccccc1 ZINC000580483438 1081970451 /nfs/dbraw/zinc/97/04/51/1081970451.db2.gz FERVUFQXSBLOQC-NQIIRXRSSA-N 2 1 368.521 4.046 20 0 FIADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC001279107697 1081998010 /nfs/dbraw/zinc/99/80/10/1081998010.db2.gz OSXOOXKXHFPSJV-UHFFFAOYSA-N 2 1 361.839 4.062 20 0 FIADMP C[N@H+]1CCCC2(CC[NH+](Cc3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC001279107697 1081998015 /nfs/dbraw/zinc/99/80/15/1081998015.db2.gz OSXOOXKXHFPSJV-UHFFFAOYSA-N 2 1 361.839 4.062 20 0 FIADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884023 1082970727 /nfs/dbraw/zinc/97/07/27/1082970727.db2.gz ODGLYAAIEWYUPT-LEWJYISDSA-N 2 1 366.553 4.275 20 0 FIADMP CC(C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647192124 1082976466 /nfs/dbraw/zinc/97/64/66/1082976466.db2.gz QVLLUDPBOSKWRD-RTWAWAEBSA-N 2 1 356.554 4.369 20 0 FIADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647192124 1082976469 /nfs/dbraw/zinc/97/64/69/1082976469.db2.gz QVLLUDPBOSKWRD-RTWAWAEBSA-N 2 1 356.554 4.369 20 0 FIADMP CC(C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647192125 1082976585 /nfs/dbraw/zinc/97/65/85/1082976585.db2.gz QVLLUDPBOSKWRD-SFTDATJTSA-N 2 1 356.554 4.369 20 0 FIADMP CC(C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H]1CCCCO1 ZINC000647192125 1082976588 /nfs/dbraw/zinc/97/65/88/1082976588.db2.gz QVLLUDPBOSKWRD-SFTDATJTSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000430815316 1083188405 /nfs/dbraw/zinc/18/84/05/1083188405.db2.gz PGOQBBQKIAADSL-WMZHIEFXSA-N 2 1 364.533 4.149 20 0 FIADMP C[C@H]1C[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000430815316 1083188411 /nfs/dbraw/zinc/18/84/11/1083188411.db2.gz PGOQBBQKIAADSL-WMZHIEFXSA-N 2 1 364.533 4.149 20 0 FIADMP C[C@H]1C[C@H]([N@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815316 1083188415 /nfs/dbraw/zinc/18/84/15/1083188415.db2.gz PGOQBBQKIAADSL-WMZHIEFXSA-N 2 1 364.533 4.149 20 0 FIADMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)CC[NH+]1Cc1ccccc1 ZINC000430815316 1083188421 /nfs/dbraw/zinc/18/84/21/1083188421.db2.gz PGOQBBQKIAADSL-WMZHIEFXSA-N 2 1 364.533 4.149 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCc3cccnc3CC2)C[N@H+]1Cc1ccccc1 ZINC000421836280 1083433714 /nfs/dbraw/zinc/43/37/14/1083433714.db2.gz ODSQKONXIQMAAG-KJXAQDMKSA-N 2 1 363.549 4.219 20 0 FIADMP CCCCCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000548482327 1083454530 /nfs/dbraw/zinc/45/45/30/1083454530.db2.gz CWKRQROKWKOWOG-SIKLNZKXSA-N 2 1 368.569 4.382 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000510934365 1083509350 /nfs/dbraw/zinc/50/93/50/1083509350.db2.gz YGLSJQRZNUBXIY-INIZCTEOSA-N 2 1 368.706 4.275 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000510946560 1083523412 /nfs/dbraw/zinc/52/34/12/1083523412.db2.gz PDICQBZTSXSEHI-MRXNPFEDSA-N 2 1 368.706 4.275 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000510977813 1083554069 /nfs/dbraw/zinc/55/40/69/1083554069.db2.gz JSAOMVOKXBOSNP-AFXVXQJMSA-N 2 1 370.581 4.472 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000510977813 1083554076 /nfs/dbraw/zinc/55/40/76/1083554076.db2.gz JSAOMVOKXBOSNP-AFXVXQJMSA-N 2 1 370.581 4.472 20 0 FIADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc[nH]1 ZINC000375847100 1083681253 /nfs/dbraw/zinc/68/12/53/1083681253.db2.gz ABPRSOQHTKBHBB-GYISXVGNSA-N 2 1 358.917 4.328 20 0 FIADMP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc[nH]1 ZINC000375847100 1083681259 /nfs/dbraw/zinc/68/12/59/1083681259.db2.gz ABPRSOQHTKBHBB-GYISXVGNSA-N 2 1 358.917 4.328 20 0 FIADMP CCN(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C)c1 ZINC000215640162 1083907701 /nfs/dbraw/zinc/90/77/01/1083907701.db2.gz JBABTJZXNPPMAZ-UHFFFAOYSA-N 2 1 351.538 4.076 20 0 FIADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001167499185 1084015495 /nfs/dbraw/zinc/01/54/95/1084015495.db2.gz DFZSTYBGWNILCI-LEWJYISDSA-N 2 1 353.485 4.315 20 0 FIADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC001140761006 1084064963 /nfs/dbraw/zinc/06/49/63/1084064963.db2.gz AOXZQJOFIDZBLL-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP Clc1ccc(C[C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000511381872 1084101243 /nfs/dbraw/zinc/10/12/43/1084101243.db2.gz KFGUYLILJBXOGV-NRFANRHFSA-N 2 1 357.929 4.484 20 0 FIADMP CC[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000647497523 1084252069 /nfs/dbraw/zinc/25/20/69/1084252069.db2.gz JSXVBCSMQGYPKY-OXQOHEQNSA-N 2 1 371.912 4.152 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000511044585 1084337376 /nfs/dbraw/zinc/33/73/76/1084337376.db2.gz CJWNDSAMABPOIQ-KRWDZBQOSA-N 2 1 351.498 4.043 20 0 FIADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055552 1084376965 /nfs/dbraw/zinc/37/69/65/1084376965.db2.gz CQORJYUSHVHLJY-MSOLQXFVSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055552 1084376981 /nfs/dbraw/zinc/37/69/81/1084376981.db2.gz CQORJYUSHVHLJY-MSOLQXFVSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055552 1084376994 /nfs/dbraw/zinc/37/69/94/1084376994.db2.gz CQORJYUSHVHLJY-MSOLQXFVSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2c(s1)CCCC2 ZINC000537970690 1084381371 /nfs/dbraw/zinc/38/13/71/1084381371.db2.gz HLFLKRPZLLCJRY-IXDOHACOSA-N 2 1 350.572 4.167 20 0 FIADMP COCc1csc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000657310865 1084408014 /nfs/dbraw/zinc/40/80/14/1084408014.db2.gz QLTRATKLFJINSA-KRWDZBQOSA-N 2 1 358.551 4.416 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000157630684 1084422761 /nfs/dbraw/zinc/42/27/61/1084422761.db2.gz RIKCBKOXPMBHRL-IRXDYDNUSA-N 2 1 352.526 4.176 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2)C1 ZINC000657320951 1084543048 /nfs/dbraw/zinc/54/30/48/1084543048.db2.gz KHNRYIAUBNNRML-GOSISDBHSA-N 2 1 361.493 4.111 20 0 FIADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000414124195 1084628340 /nfs/dbraw/zinc/62/83/40/1084628340.db2.gz PFJNXIAUQOBHIJ-QUCCMNQESA-N 2 1 362.945 4.211 20 0 FIADMP COCc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000657356894 1084709560 /nfs/dbraw/zinc/70/95/60/1084709560.db2.gz IOGLQZBVELVBLF-IHWFROFDSA-N 2 1 356.535 4.180 20 0 FIADMP Cc1ncc(C[NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)o1 ZINC000414167726 1084728512 /nfs/dbraw/zinc/72/85/12/1084728512.db2.gz HBDXPNKQFAJHMO-NRFANRHFSA-N 2 1 359.489 4.465 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000414173485 1084739054 /nfs/dbraw/zinc/73/90/54/1084739054.db2.gz FSFJQVJXAJLVNI-UTKZUKDTSA-N 2 1 357.929 4.340 20 0 FIADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373943 1084794919 /nfs/dbraw/zinc/79/49/19/1084794919.db2.gz AZDUGIDHGSKEMT-QAPCUYQASA-N 2 1 350.553 4.129 20 0 FIADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373943 1084794924 /nfs/dbraw/zinc/79/49/24/1084794924.db2.gz AZDUGIDHGSKEMT-QAPCUYQASA-N 2 1 350.553 4.129 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000511095569 1084814024 /nfs/dbraw/zinc/81/40/24/1084814024.db2.gz WPCCBCCOUKAZGD-IBGZPJMESA-N 2 1 374.532 4.402 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000613491607 1084825259 /nfs/dbraw/zinc/82/52/59/1084825259.db2.gz YRKVEWBPADRZDX-UHFFFAOYSA-N 2 1 371.525 4.294 20 0 FIADMP CCn1ccnc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000582281953 1084834669 /nfs/dbraw/zinc/83/46/69/1084834669.db2.gz YLUFXUBJDBEWKL-QFIPXVFZSA-N 2 1 366.553 4.026 20 0 FIADMP CCn1ccnc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000582281953 1084834676 /nfs/dbraw/zinc/83/46/76/1084834676.db2.gz YLUFXUBJDBEWKL-QFIPXVFZSA-N 2 1 366.553 4.026 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387170 1084846207 /nfs/dbraw/zinc/84/62/07/1084846207.db2.gz SFUNBFPNUKDIKO-UZLBHIALSA-N 2 1 351.519 4.297 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccncc2s1 ZINC000657387170 1084846213 /nfs/dbraw/zinc/84/62/13/1084846213.db2.gz SFUNBFPNUKDIKO-UZLBHIALSA-N 2 1 351.519 4.297 20 0 FIADMP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414223204 1084856505 /nfs/dbraw/zinc/85/65/05/1084856505.db2.gz GHHFGXDTRASGKP-UHFFFAOYSA-N 2 1 351.538 4.176 20 0 FIADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684954695 1085298798 /nfs/dbraw/zinc/29/87/98/1085298798.db2.gz CRLMXRLSXFZDRM-PGRDOPGGSA-N 2 1 368.496 4.323 20 0 FIADMP Fc1cncc([C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000684955566 1085300938 /nfs/dbraw/zinc/30/09/38/1085300938.db2.gz QABUXRGNORKVOL-XMSQKQJNSA-N 2 1 353.485 4.174 20 0 FIADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651692168 1085376599 /nfs/dbraw/zinc/37/65/99/1085376599.db2.gz WHRVMPUSNWKFRC-QGZVFWFLSA-N 2 1 362.876 4.197 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651720625 1085412640 /nfs/dbraw/zinc/41/26/40/1085412640.db2.gz GKRSYZYIHYXSFU-ZCNNSNEGSA-N 2 1 367.537 4.289 20 0 FIADMP C[C@H](CC[N@H+]1CC[C@@H](CC(F)(F)F)C1)[NH+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707421 1085550031 /nfs/dbraw/zinc/55/00/31/1085550031.db2.gz PPINBRFXOFPQKG-RDBSUJKOSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@@H](CC(F)(F)F)C1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707421 1085550037 /nfs/dbraw/zinc/55/00/37/1085550037.db2.gz PPINBRFXOFPQKG-RDBSUJKOSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@@H](CC(F)(F)F)C1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707421 1085550045 /nfs/dbraw/zinc/55/00/45/1085550045.db2.gz PPINBRFXOFPQKG-RDBSUJKOSA-N 2 1 360.386 4.314 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000651949511 1085707067 /nfs/dbraw/zinc/70/70/67/1085707067.db2.gz NFWNQAOQJOJVBR-LJQANCHMSA-N 2 1 366.440 4.107 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000652187149 1085748225 /nfs/dbraw/zinc/74/82/25/1085748225.db2.gz DCDDUHMIZZHTFS-GOTSBHOMSA-N 2 1 370.512 4.269 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)n1 ZINC000164501520 1085797959 /nfs/dbraw/zinc/79/79/59/1085797959.db2.gz GPOSJPJAGNEDMH-MRXNPFEDSA-N 2 1 364.493 4.169 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000582927143 1085929807 /nfs/dbraw/zinc/92/98/07/1085929807.db2.gz STEYOLCBUXAFST-LNKGRISISA-N 2 1 351.966 4.041 20 0 FIADMP c1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957380 1085962178 /nfs/dbraw/zinc/96/21/78/1085962178.db2.gz UAVYKYVMJANYLU-VXKWHMMOSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957380 1085962184 /nfs/dbraw/zinc/96/21/84/1085962184.db2.gz UAVYKYVMJANYLU-VXKWHMMOSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957380 1085962191 /nfs/dbraw/zinc/96/21/91/1085962191.db2.gz UAVYKYVMJANYLU-VXKWHMMOSA-N 2 1 373.500 4.296 20 0 FIADMP c1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)onc1-c1ccccc1 ZINC000582957380 1085962193 /nfs/dbraw/zinc/96/21/93/1085962193.db2.gz UAVYKYVMJANYLU-VXKWHMMOSA-N 2 1 373.500 4.296 20 0 FIADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663097538 1085990614 /nfs/dbraw/zinc/99/06/14/1085990614.db2.gz ZZDBXPQZFIENGO-QFIPXVFZSA-N 2 1 352.526 4.052 20 0 FIADMP C[C@@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000248880234 1086177963 /nfs/dbraw/zinc/17/79/63/1086177963.db2.gz KLYRBXOUCDBINF-BXXSPATCSA-N 2 1 356.554 4.103 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc2cc(Br)ccc2o1 ZINC000020546281 1086281051 /nfs/dbraw/zinc/28/10/51/1086281051.db2.gz FDZZPDYHAZQTAZ-CYBMUJFWSA-N 2 1 351.288 4.332 20 0 FIADMP c1ccc(-c2noc([C@H]3CCCC[N@H+]3Cc3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000662256480 1086379696 /nfs/dbraw/zinc/37/96/96/1086379696.db2.gz IFCPLFMGQNHGBG-OAQYLSRUSA-N 2 1 374.488 4.110 20 0 FIADMP c1ccc(-c2noc([C@H]3CCCC[N@@H+]3Cc3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000662256480 1086379707 /nfs/dbraw/zinc/37/97/07/1086379707.db2.gz IFCPLFMGQNHGBG-OAQYLSRUSA-N 2 1 374.488 4.110 20 0 FIADMP Clc1cccc(-c2cnc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662295141 1086398304 /nfs/dbraw/zinc/39/83/04/1086398304.db2.gz TWTWWPBVFAGCIL-KRWDZBQOSA-N 2 1 359.901 4.207 20 0 FIADMP CC(C)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000663323974 1086413228 /nfs/dbraw/zinc/41/32/28/1086413228.db2.gz LNHUPCRNVBFHPX-HSZRJFAPSA-N 2 1 352.522 4.057 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663343760 1086443732 /nfs/dbraw/zinc/44/37/32/1086443732.db2.gz DSIVUAJDTSMJFF-INIZCTEOSA-N 2 1 359.514 4.161 20 0 FIADMP Fc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663343760 1086443735 /nfs/dbraw/zinc/44/37/35/1086443735.db2.gz DSIVUAJDTSMJFF-INIZCTEOSA-N 2 1 359.514 4.161 20 0 FIADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)s2)cc1 ZINC000663345027 1086445380 /nfs/dbraw/zinc/44/53/80/1086445380.db2.gz FUHDZIUIPVDYFJ-SFHVURJKSA-N 2 1 355.551 4.330 20 0 FIADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)s2)cc1 ZINC000663345027 1086445385 /nfs/dbraw/zinc/44/53/85/1086445385.db2.gz FUHDZIUIPVDYFJ-SFHVURJKSA-N 2 1 355.551 4.330 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000663355967 1086457239 /nfs/dbraw/zinc/45/72/39/1086457239.db2.gz CFCGZQVCYGYNBN-UHFFFAOYSA-N 2 1 360.439 4.401 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583292637 1086533791 /nfs/dbraw/zinc/53/37/91/1086533791.db2.gz UUTPPPVGTGZWEP-HIFRSBDPSA-N 2 1 356.432 4.154 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000583292637 1086533802 /nfs/dbraw/zinc/53/38/02/1086533802.db2.gz UUTPPPVGTGZWEP-HIFRSBDPSA-N 2 1 356.432 4.154 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CCN1C ZINC000165550767 1086536819 /nfs/dbraw/zinc/53/68/19/1086536819.db2.gz LYBXJEPTPYGUER-AUSIDOKSSA-N 3 1 374.532 4.171 20 0 FIADMP CCCCC/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751015 1086562273 /nfs/dbraw/zinc/56/22/73/1086562273.db2.gz MXYSINOUURXHII-WTKRLXQWSA-N 2 1 356.554 4.493 20 0 FIADMP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000657752271 1086567641 /nfs/dbraw/zinc/56/76/41/1086567641.db2.gz XNCGCNUHHGXJBH-LJQANCHMSA-N 2 1 356.535 4.066 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 ZINC000583336492 1086575857 /nfs/dbraw/zinc/57/58/57/1086575857.db2.gz OTZGCMTUXWSCEH-IEBWSBKVSA-N 2 1 357.567 4.408 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 ZINC000583336492 1086575870 /nfs/dbraw/zinc/57/58/70/1086575870.db2.gz OTZGCMTUXWSCEH-IEBWSBKVSA-N 2 1 357.567 4.408 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001167825851 1086613441 /nfs/dbraw/zinc/61/34/41/1086613441.db2.gz UBNAKYHAQBIZLI-VWPQPMDRSA-N 2 1 359.558 4.073 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001167828074 1086635465 /nfs/dbraw/zinc/63/54/65/1086635465.db2.gz VYQUYTBLCXGJJY-IBGZPJMESA-N 2 1 366.553 4.055 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCSC[C@H]1c1cccc(OC)c1 ZINC001167833646 1086670943 /nfs/dbraw/zinc/67/09/43/1086670943.db2.gz CUQOQHKAGRFKSK-XLIONFOSSA-N 2 1 350.572 4.296 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000583456812 1086701167 /nfs/dbraw/zinc/70/11/67/1086701167.db2.gz ZWMQYRXFGQDGHF-JTKSJCOOSA-N 2 1 368.565 4.224 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001167838156 1086712574 /nfs/dbraw/zinc/71/25/74/1086712574.db2.gz QWHLFOYJZWEIHA-OAHLLOKOSA-N 2 1 373.372 4.021 20 0 FIADMP COc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432407068 1086728853 /nfs/dbraw/zinc/72/88/53/1086728853.db2.gz JYTXBMDEGLXHNT-XMSQKQJNSA-N 2 1 360.542 4.017 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167841369 1086735734 /nfs/dbraw/zinc/73/57/34/1086735734.db2.gz LMOCSOPUWNDZIS-UPVQGACJSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167841369 1086735738 /nfs/dbraw/zinc/73/57/38/1086735738.db2.gz LMOCSOPUWNDZIS-UPVQGACJSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167841369 1086735747 /nfs/dbraw/zinc/73/57/47/1086735747.db2.gz LMOCSOPUWNDZIS-UPVQGACJSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841369 1086735753 /nfs/dbraw/zinc/73/57/53/1086735753.db2.gz LMOCSOPUWNDZIS-UPVQGACJSA-N 2 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841369 1086735757 /nfs/dbraw/zinc/73/57/57/1086735757.db2.gz LMOCSOPUWNDZIS-UPVQGACJSA-N 2 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167841742 1086739253 /nfs/dbraw/zinc/73/92/53/1086739253.db2.gz PZHOLNHBJFOKKR-RBUKOAKNSA-N 2 1 369.594 4.076 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000512088000 1086752529 /nfs/dbraw/zinc/75/25/29/1086752529.db2.gz NCDODAIKNLMGSL-GOSISDBHSA-N 2 1 368.521 4.368 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000512088000 1086752535 /nfs/dbraw/zinc/75/25/35/1086752535.db2.gz NCDODAIKNLMGSL-GOSISDBHSA-N 2 1 368.521 4.368 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427657 1086757558 /nfs/dbraw/zinc/75/75/58/1086757558.db2.gz DEAAFLUMQFXEHA-AUSIDOKSSA-N 2 1 370.512 4.200 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCc3c(Cl)cccc3Cl)C2)C1 ZINC000650708694 1086767427 /nfs/dbraw/zinc/76/74/27/1086767427.db2.gz JBQZGCCPFXZOMI-KHYOSLBOSA-N 2 1 371.352 4.144 20 0 FIADMP Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(C[N@H+](C)C(C)C)CC3)o2)c1 ZINC000728571331 1086798687 /nfs/dbraw/zinc/79/86/87/1086798687.db2.gz BLCJLCRZWKJWOR-KRWDZBQOSA-N 2 1 356.514 4.158 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000512137873 1086816315 /nfs/dbraw/zinc/81/63/15/1086816315.db2.gz WOTNUDXCTGFULP-GOSISDBHSA-N 2 1 368.521 4.226 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000512137873 1086816333 /nfs/dbraw/zinc/81/63/33/1086816333.db2.gz WOTNUDXCTGFULP-GOSISDBHSA-N 2 1 368.521 4.226 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1F ZINC000512143157 1086832070 /nfs/dbraw/zinc/83/20/70/1086832070.db2.gz DGODHYMLNSLJGP-NSCUHMNNSA-N 2 1 357.379 4.401 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773414 1086834505 /nfs/dbraw/zinc/83/45/05/1086834505.db2.gz RMLHAPMZEVZWDJ-QFIPXVFZSA-N 2 1 366.553 4.164 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170643 1086872672 /nfs/dbraw/zinc/87/26/72/1086872672.db2.gz SVOPCIGLCUBXNW-MOPGFXCFSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170643 1086872681 /nfs/dbraw/zinc/87/26/81/1086872681.db2.gz SVOPCIGLCUBXNW-MOPGFXCFSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170643 1086872691 /nfs/dbraw/zinc/87/26/91/1086872691.db2.gz SVOPCIGLCUBXNW-MOPGFXCFSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000512170643 1086872705 /nfs/dbraw/zinc/87/27/05/1086872705.db2.gz SVOPCIGLCUBXNW-MOPGFXCFSA-N 2 1 352.526 4.163 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000657787635 1086934565 /nfs/dbraw/zinc/93/45/65/1086934565.db2.gz DOZVWYZVGSRDAW-UGPBBDQXSA-N 2 1 350.481 4.107 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000657787635 1086934566 /nfs/dbraw/zinc/93/45/66/1086934566.db2.gz DOZVWYZVGSRDAW-UGPBBDQXSA-N 2 1 350.481 4.107 20 0 FIADMP COCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccc1F ZINC000583752651 1086947265 /nfs/dbraw/zinc/94/72/65/1086947265.db2.gz VGOUQSUJLSQTDK-OAQYLSRUSA-N 2 1 368.496 4.259 20 0 FIADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccc1F ZINC000583752651 1086947268 /nfs/dbraw/zinc/94/72/68/1086947268.db2.gz VGOUQSUJLSQTDK-OAQYLSRUSA-N 2 1 368.496 4.259 20 0 FIADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1-c1cccc(Cl)c1 ZINC000650753282 1086954703 /nfs/dbraw/zinc/95/47/03/1086954703.db2.gz KNTLWAPJLQURQF-CYBMUJFWSA-N 2 1 372.875 4.283 20 0 FIADMP CO[C@@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871541 1087006709 /nfs/dbraw/zinc/00/67/09/1087006709.db2.gz NUSQXXKZFIBZAL-PKTZIBPZSA-N 2 1 364.533 4.335 20 0 FIADMP CO[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000583871541 1087006711 /nfs/dbraw/zinc/00/67/11/1087006711.db2.gz NUSQXXKZFIBZAL-PKTZIBPZSA-N 2 1 364.533 4.335 20 0 FIADMP CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000583899441 1087020501 /nfs/dbraw/zinc/02/05/01/1087020501.db2.gz PGJFIXPMXUZYFF-UHFFFAOYSA-N 2 1 366.484 4.300 20 0 FIADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)s2)o1 ZINC000092813394 1087105577 /nfs/dbraw/zinc/10/55/77/1087105577.db2.gz HBZGNCAZWKYAHU-MRXNPFEDSA-N 2 1 368.506 4.349 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(Br)c1 ZINC000657838499 1087250038 /nfs/dbraw/zinc/25/00/38/1087250038.db2.gz BRWLJCREZFLJAT-XHSDSOJGSA-N 2 1 368.363 4.253 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000584378422 1087313429 /nfs/dbraw/zinc/31/34/29/1087313429.db2.gz JKEMZOMKHQTEEX-IFMALSPDSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000584378422 1087313435 /nfs/dbraw/zinc/31/34/35/1087313435.db2.gz JKEMZOMKHQTEEX-IFMALSPDSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000584378422 1087313442 /nfs/dbraw/zinc/31/34/42/1087313442.db2.gz JKEMZOMKHQTEEX-IFMALSPDSA-N 2 1 350.506 4.278 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC001207382552 1087345633 /nfs/dbraw/zinc/34/56/33/1087345633.db2.gz OEJSXGHTKCSEHZ-UHFFFAOYSA-N 2 1 353.348 4.044 20 0 FIADMP c1cc(-c2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000092066594 1087437359 /nfs/dbraw/zinc/43/73/59/1087437359.db2.gz NSLNPGJTGPUXHH-RDTXWAMCSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000092066594 1087437363 /nfs/dbraw/zinc/43/73/63/1087437363.db2.gz NSLNPGJTGPUXHH-RDTXWAMCSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cs1 ZINC000092066594 1087437365 /nfs/dbraw/zinc/43/73/65/1087437365.db2.gz NSLNPGJTGPUXHH-RDTXWAMCSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)cs1 ZINC000092066594 1087437367 /nfs/dbraw/zinc/43/73/67/1087437367.db2.gz NSLNPGJTGPUXHH-RDTXWAMCSA-N 2 1 359.564 4.320 20 0 FIADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)cc3)CC2)C1 ZINC000668739144 1087497948 /nfs/dbraw/zinc/49/79/48/1087497948.db2.gz JFOPZJKBCRWYMZ-QFIPXVFZSA-N 2 1 370.924 4.038 20 0 FIADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)cc3)CC2)C1 ZINC000668739144 1087497952 /nfs/dbraw/zinc/49/79/52/1087497952.db2.gz JFOPZJKBCRWYMZ-QFIPXVFZSA-N 2 1 370.924 4.038 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CCOCC1 ZINC000657883223 1087527198 /nfs/dbraw/zinc/52/71/98/1087527198.db2.gz QXCZWBNDGABPAR-PKOBYXMFSA-N 2 1 350.934 4.067 20 0 FIADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000685463111 1087575773 /nfs/dbraw/zinc/57/57/73/1087575773.db2.gz GRWNLPSEMQBHSN-FXAWDEMLSA-N 2 1 360.542 4.036 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1)CC(C)C ZINC000685462646 1087575820 /nfs/dbraw/zinc/57/58/20/1087575820.db2.gz PVSJDDOAOGOVEP-UHFFFAOYSA-N 2 1 360.521 4.053 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1)CC(C)C ZINC000685462646 1087575824 /nfs/dbraw/zinc/57/58/24/1087575824.db2.gz PVSJDDOAOGOVEP-UHFFFAOYSA-N 2 1 360.521 4.053 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658142490 1087735286 /nfs/dbraw/zinc/73/52/86/1087735286.db2.gz ZNCFVNOYZLQGNA-PKTZIBPZSA-N 2 1 370.512 4.269 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C(c3ccccc3)c3ccccc3)cc2)C1 ZINC000658137496 1087742363 /nfs/dbraw/zinc/74/23/63/1087742363.db2.gz HHCKDYHZJLMLMJ-XMMPIXPASA-N 2 1 372.512 4.132 20 0 FIADMP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658138410 1087744182 /nfs/dbraw/zinc/74/41/82/1087744182.db2.gz MXSKEEOFZTZICA-NFBKMPQASA-N 2 1 364.533 4.156 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000548860833 1087747398 /nfs/dbraw/zinc/74/73/98/1087747398.db2.gz XZMGOWOIKOLVOR-QFIPXVFZSA-N 2 1 356.554 4.500 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189436 1087779582 /nfs/dbraw/zinc/77/95/82/1087779582.db2.gz SVRPMTTZALDGQQ-KRWDZBQOSA-N 2 1 369.372 4.201 20 0 FIADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3c(F)cccc3F)cs1)CC[NH2+]CC2 ZINC000424296631 1087902103 /nfs/dbraw/zinc/90/21/03/1087902103.db2.gz SCSUQQWVJLXXII-CYBMUJFWSA-N 2 1 363.477 4.052 20 0 FIADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)ccc2Br)cc1 ZINC000414808156 1088178484 /nfs/dbraw/zinc/17/84/84/1088178484.db2.gz KKFWCVCUVSHYDR-NSHDSACASA-N 2 1 353.691 4.412 20 0 FIADMP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818638 1088414513 /nfs/dbraw/zinc/41/45/13/1088414513.db2.gz HLPUMKGWJBYOCL-OAHLLOKOSA-N 2 1 371.352 4.489 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000311479519 1088688771 /nfs/dbraw/zinc/68/87/71/1088688771.db2.gz HIKCDFFXZWUVLC-JTSKRJEESA-N 2 1 356.485 4.397 20 0 FIADMP CC(C)Oc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689020 1088946978 /nfs/dbraw/zinc/94/69/78/1088946978.db2.gz SBBHZEDUFOGBBU-UHFFFAOYSA-N 2 1 353.510 4.386 20 0 FIADMP CN1CC[C@@H](C[N@@H+](C)[C@@H]2CCc3c2cccc3Cl)[C@@H]1c1cccnc1 ZINC000434735651 1089020742 /nfs/dbraw/zinc/02/07/42/1089020742.db2.gz DFCFQTLQKOOXCR-DQLDELGASA-N 2 1 355.913 4.347 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059373 1089094495 /nfs/dbraw/zinc/09/44/95/1089094495.db2.gz WTXIQLRFNYGQDB-UNMCSNQZSA-N 2 1 350.506 4.326 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415084495 1089139475 /nfs/dbraw/zinc/13/94/75/1089139475.db2.gz RJLGIYYKORRHKV-VAMGGRTRSA-N 2 1 355.457 4.023 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1 ZINC000435041287 1089217352 /nfs/dbraw/zinc/21/73/52/1089217352.db2.gz IPQWDEMQFGRQMK-LZNRXBQRSA-N 2 1 365.521 4.319 20 0 FIADMP COc1ccccc1/C=C/C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435061087 1089249529 /nfs/dbraw/zinc/24/95/29/1089249529.db2.gz NZRQLNPCKQVRCI-SOFGYWHQSA-N 2 1 351.494 4.121 20 0 FIADMP COc1ccccc1CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000505602598 1089271740 /nfs/dbraw/zinc/27/17/40/1089271740.db2.gz NJFPZQGVRGCFLN-NRFANRHFSA-N 2 1 352.522 4.082 20 0 FIADMP COc1ccccc1CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505602598 1089271751 /nfs/dbraw/zinc/27/17/51/1089271751.db2.gz NJFPZQGVRGCFLN-NRFANRHFSA-N 2 1 352.522 4.082 20 0 FIADMP COc1ccccc1CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000505602598 1089271762 /nfs/dbraw/zinc/27/17/62/1089271762.db2.gz NJFPZQGVRGCFLN-NRFANRHFSA-N 2 1 352.522 4.082 20 0 FIADMP COc1ccccc1CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000505602610 1089272345 /nfs/dbraw/zinc/27/23/45/1089272345.db2.gz NJFPZQGVRGCFLN-OAQYLSRUSA-N 2 1 352.522 4.082 20 0 FIADMP COc1ccccc1CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505602610 1089272357 /nfs/dbraw/zinc/27/23/57/1089272357.db2.gz NJFPZQGVRGCFLN-OAQYLSRUSA-N 2 1 352.522 4.082 20 0 FIADMP COc1ccccc1CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000505602610 1089272373 /nfs/dbraw/zinc/27/23/73/1089272373.db2.gz NJFPZQGVRGCFLN-OAQYLSRUSA-N 2 1 352.522 4.082 20 0 FIADMP Cc1oc2ccccc2c1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424666 1089640268 /nfs/dbraw/zinc/64/02/68/1089640268.db2.gz WPFIOSAAFHWPKX-LJQANCHMSA-N 2 1 367.518 4.342 20 0 FIADMP Cc1oc2ccccc2c1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424666 1089640275 /nfs/dbraw/zinc/64/02/75/1089640275.db2.gz WPFIOSAAFHWPKX-LJQANCHMSA-N 2 1 367.518 4.342 20 0 FIADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414869040 1089650594 /nfs/dbraw/zinc/65/05/94/1089650594.db2.gz BBVSOBDHYFYATA-UHFFFAOYSA-N 2 1 361.489 4.027 20 0 FIADMP COc1cc(Cl)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000514971767 1089696224 /nfs/dbraw/zinc/69/62/24/1089696224.db2.gz DLVSQUMSACXGJA-AWEZNQCLSA-N 2 1 357.325 4.166 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001625891373 1089758418 /nfs/dbraw/zinc/75/84/18/1089758418.db2.gz HGGKQQIHKCNGEN-WIYYLYMNSA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001625891373 1089758433 /nfs/dbraw/zinc/75/84/33/1089758433.db2.gz HGGKQQIHKCNGEN-WIYYLYMNSA-N 2 1 357.542 4.120 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001625891373 1089758444 /nfs/dbraw/zinc/75/84/44/1089758444.db2.gz HGGKQQIHKCNGEN-WIYYLYMNSA-N 2 1 357.542 4.120 20 0 FIADMP Brc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167959864 1090011392 /nfs/dbraw/zinc/01/13/92/1090011392.db2.gz SYGIIGGLZSXWPN-GOOCMWNKSA-N 2 1 355.345 4.006 20 0 FIADMP Brc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167959864 1090011399 /nfs/dbraw/zinc/01/13/99/1090011399.db2.gz SYGIIGGLZSXWPN-GOOCMWNKSA-N 2 1 355.345 4.006 20 0 FIADMP C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000378184448 1090201210 /nfs/dbraw/zinc/20/12/10/1090201210.db2.gz MNWMBHJVRADFGE-QGZVFWFLSA-N 2 1 365.477 4.133 20 0 FIADMP COc1ccc([C@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413488 1090707507 /nfs/dbraw/zinc/70/75/07/1090707507.db2.gz GFXJSTVWCCTHSC-MBSDFSHPSA-N 2 1 368.521 4.267 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312413488 1090707520 /nfs/dbraw/zinc/70/75/20/1090707520.db2.gz GFXJSTVWCCTHSC-MBSDFSHPSA-N 2 1 368.521 4.267 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nsc2ccccc21 ZINC000660166339 1090721906 /nfs/dbraw/zinc/72/19/06/1090721906.db2.gz OIHSPJYXSZPBQZ-UHFFFAOYSA-N 2 1 366.534 4.430 20 0 FIADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000388315466 1090985110 /nfs/dbraw/zinc/98/51/10/1090985110.db2.gz KTHFLOKFQRVZBV-SFHVURJKSA-N 2 1 365.908 4.500 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098524 1091036263 /nfs/dbraw/zinc/03/62/63/1091036263.db2.gz MPKREJSHPISINB-RTBURBONSA-N 2 1 365.993 4.180 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390525823 1091182260 /nfs/dbraw/zinc/18/22/60/1091182260.db2.gz IYXDJGQIIOCBCY-QPPBQGQZSA-N 2 1 365.565 4.009 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000512265242 1091983778 /nfs/dbraw/zinc/98/37/78/1091983778.db2.gz PCOSJWYRRWWPLF-UHFFFAOYSA-N 2 1 370.541 4.113 20 0 FIADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512286056 1092009412 /nfs/dbraw/zinc/00/94/12/1092009412.db2.gz ADOCEWMLFDBZRI-MRKXFKPJSA-N 2 1 370.581 4.470 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291898 1092014401 /nfs/dbraw/zinc/01/44/01/1092014401.db2.gz DQDXSTPPZKAXGQ-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291898 1092014411 /nfs/dbraw/zinc/01/44/11/1092014411.db2.gz DQDXSTPPZKAXGQ-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291898 1092014420 /nfs/dbraw/zinc/01/44/20/1092014420.db2.gz DQDXSTPPZKAXGQ-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291898 1092014431 /nfs/dbraw/zinc/01/44/31/1092014431.db2.gz DQDXSTPPZKAXGQ-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCCCC4CCOCC4)C3)C2)cc1 ZINC000512291456 1092014686 /nfs/dbraw/zinc/01/46/86/1092014686.db2.gz JSKOZQCSWLRXFF-HSZRJFAPSA-N 2 1 356.554 4.181 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCCCC4CCOCC4)C3)C2)cc1 ZINC000512291456 1092014696 /nfs/dbraw/zinc/01/46/96/1092014696.db2.gz JSKOZQCSWLRXFF-HSZRJFAPSA-N 2 1 356.554 4.181 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCCCC4CCOCC4)C3)C2)cc1 ZINC000512291456 1092014711 /nfs/dbraw/zinc/01/47/11/1092014711.db2.gz JSKOZQCSWLRXFF-HSZRJFAPSA-N 2 1 356.554 4.181 20 0 FIADMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000432663793 1092040932 /nfs/dbraw/zinc/04/09/32/1092040932.db2.gz KQQOKSQOIQJKDZ-IBGZPJMESA-N 2 1 360.498 4.040 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)s1 ZINC000512375351 1092180230 /nfs/dbraw/zinc/18/02/30/1092180230.db2.gz QKCBWWDBKQNEFL-UHFFFAOYSA-N 2 1 353.894 4.033 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC000500525567 1092190228 /nfs/dbraw/zinc/19/02/28/1092190228.db2.gz IEOONEISAKHUTL-DHIUTWEWSA-N 2 1 350.506 4.290 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC000500525567 1092190235 /nfs/dbraw/zinc/19/02/35/1092190235.db2.gz IEOONEISAKHUTL-DHIUTWEWSA-N 2 1 350.506 4.290 20 0 FIADMP Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428227632 1092260897 /nfs/dbraw/zinc/26/08/97/1092260897.db2.gz SNNVQCYBTUAVDE-ILWGZMRPSA-N 2 1 353.510 4.072 20 0 FIADMP CCc1nc(C)c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000428218574 1092267778 /nfs/dbraw/zinc/26/77/78/1092267778.db2.gz MPVGHVZXEDMQPJ-JOCHJYFZSA-N 2 1 353.510 4.034 20 0 FIADMP C[C@H]1CC(N2C(C)(C)CC([NH3+])CC2(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012463 1092339001 /nfs/dbraw/zinc/33/90/01/1092339001.db2.gz ANVXJIAWGSJMRN-ROUUACIJSA-N 2 1 357.586 4.408 20 0 FIADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000665271636 1092420925 /nfs/dbraw/zinc/42/09/25/1092420925.db2.gz PMMPUFPVFVSJGG-QVGHQYEOSA-N 2 1 361.533 4.146 20 0 FIADMP CC(C)CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccoc1 ZINC000428245686 1092463709 /nfs/dbraw/zinc/46/37/09/1092463709.db2.gz MHQZXBJGKZQYGU-QFIPXVFZSA-N 2 1 356.510 4.379 20 0 FIADMP COCCC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000442708425 1092734263 /nfs/dbraw/zinc/73/42/63/1092734263.db2.gz IZPKTUITCNFTLH-HSZRJFAPSA-N 2 1 370.512 4.331 20 0 FIADMP COCCC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000442708425 1092734274 /nfs/dbraw/zinc/73/42/74/1092734274.db2.gz IZPKTUITCNFTLH-HSZRJFAPSA-N 2 1 370.512 4.331 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442712557 1092735775 /nfs/dbraw/zinc/73/57/75/1092735775.db2.gz UURRIDMJAZMVRO-HXUWFJFHSA-N 2 1 359.517 4.198 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442776650 1092757754 /nfs/dbraw/zinc/75/77/54/1092757754.db2.gz CDIMISYXLBBYNQ-FXAWDEMLSA-N 2 1 359.517 4.450 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000442787383 1092766985 /nfs/dbraw/zinc/76/69/85/1092766985.db2.gz VQIDRBVDAZHCNM-WMZOPIPTSA-N 2 1 370.459 4.042 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000442788726 1092767800 /nfs/dbraw/zinc/76/78/00/1092767800.db2.gz XJORLHVYBXGJFJ-HOJAQTOUSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC[N@H+]1Cc1ccccc1 ZINC000442788726 1092767807 /nfs/dbraw/zinc/76/78/07/1092767807.db2.gz XJORLHVYBXGJFJ-HOJAQTOUSA-N 2 1 359.517 4.278 20 0 FIADMP COCCC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865499 1092812000 /nfs/dbraw/zinc/81/20/00/1092812000.db2.gz UCMCIGGDJAAAAT-OFNKIYASSA-N 2 1 370.512 4.405 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+](C2CCCC2)CC1 ZINC000512557439 1092914632 /nfs/dbraw/zinc/91/46/32/1092914632.db2.gz RCRWIAIUXWIGKH-UHFFFAOYSA-N 2 1 357.586 4.095 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000512557439 1092914633 /nfs/dbraw/zinc/91/46/33/1092914633.db2.gz RCRWIAIUXWIGKH-UHFFFAOYSA-N 2 1 357.586 4.095 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000512557439 1092914636 /nfs/dbraw/zinc/91/46/36/1092914636.db2.gz RCRWIAIUXWIGKH-UHFFFAOYSA-N 2 1 357.586 4.095 20 0 FIADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000245687122 1092948561 /nfs/dbraw/zinc/94/85/61/1092948561.db2.gz JSNSZOWWXUAFAC-LRSLUSHPSA-N 2 1 370.924 4.159 20 0 FIADMP c1sc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C1CC1 ZINC000512610964 1092988966 /nfs/dbraw/zinc/98/89/66/1092988966.db2.gz GQTPCBMLUAWHHH-XUVXKRRUSA-N 2 1 367.562 4.411 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205259 1092991059 /nfs/dbraw/zinc/99/10/59/1092991059.db2.gz SAQKVCYNIGHMTD-HBGVWJBISA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443205259 1092991060 /nfs/dbraw/zinc/99/10/60/1092991060.db2.gz SAQKVCYNIGHMTD-HBGVWJBISA-N 2 1 354.469 4.150 20 0 FIADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4noc5c4CCCC5)C3)CC2)cc1 ZINC000645007020 1093059933 /nfs/dbraw/zinc/05/99/33/1093059933.db2.gz HKMUQPRNWUNNLL-UHFFFAOYSA-N 2 1 365.521 4.042 20 0 FIADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512653314 1093080281 /nfs/dbraw/zinc/08/02/81/1093080281.db2.gz DOQNHDSYJJHESN-KEJFTWOCSA-N 2 1 370.581 4.208 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049222 1093143778 /nfs/dbraw/zinc/14/37/78/1093143778.db2.gz WNYVNXBIXOIUJY-IAGOWNOFSA-N 2 1 366.496 4.211 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049222 1093143779 /nfs/dbraw/zinc/14/37/79/1093143779.db2.gz WNYVNXBIXOIUJY-IAGOWNOFSA-N 2 1 366.496 4.211 20 0 FIADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168020213 1093203155 /nfs/dbraw/zinc/20/31/55/1093203155.db2.gz LJSFXNJUKPNKCN-QXUYBEEESA-N 2 1 357.586 4.138 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020864 1093225685 /nfs/dbraw/zinc/22/56/85/1093225685.db2.gz OATYXMAMMGDFNN-RMFSNUHRSA-N 2 1 356.485 4.236 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020866 1093226287 /nfs/dbraw/zinc/22/62/87/1093226287.db2.gz OBAPDSYVDKRPCQ-OPVJXMOQSA-N 2 1 360.542 4.140 20 0 FIADMP CCc1noc(C)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118662 1093268599 /nfs/dbraw/zinc/26/85/99/1093268599.db2.gz YDHZYDVCCQNCKX-UHFFFAOYSA-N 2 1 353.510 4.034 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022653 1093313929 /nfs/dbraw/zinc/31/39/29/1093313929.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 2 1 355.570 4.033 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022653 1093313936 /nfs/dbraw/zinc/31/39/36/1093313936.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 2 1 355.570 4.033 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022653 1093313948 /nfs/dbraw/zinc/31/39/48/1093313948.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 2 1 355.570 4.033 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000389082514 1093347372 /nfs/dbraw/zinc/34/73/72/1093347372.db2.gz DMSRXISUTXJOCV-SIKLNZKXSA-N 2 1 352.522 4.215 20 0 FIADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000727425965 1093356253 /nfs/dbraw/zinc/35/62/53/1093356253.db2.gz FVSVYHYEQUWYAN-UHFFFAOYSA-N 2 1 362.521 4.400 20 0 FIADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000727425965 1093356261 /nfs/dbraw/zinc/35/62/61/1093356261.db2.gz FVSVYHYEQUWYAN-UHFFFAOYSA-N 2 1 362.521 4.400 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023863 1093368040 /nfs/dbraw/zinc/36/80/40/1093368040.db2.gz YLNJTDWMRZWJHR-NHJQUPGMSA-N 2 1 364.533 4.066 20 0 FIADMP C[C@H]1CC(n2cc(CC[NH3+])c3cnccc32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024460 1093394662 /nfs/dbraw/zinc/39/46/62/1093394662.db2.gz GYHITWIVXDWGDC-ROUUACIJSA-N 2 1 362.521 4.152 20 0 FIADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328204 1093588907 /nfs/dbraw/zinc/58/89/07/1093588907.db2.gz CSBVZQBZEZOOQY-QGZVFWFLSA-N 2 1 364.493 4.191 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328204 1093588911 /nfs/dbraw/zinc/58/89/11/1093588911.db2.gz CSBVZQBZEZOOQY-QGZVFWFLSA-N 2 1 364.493 4.191 20 0 FIADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331143 1093591022 /nfs/dbraw/zinc/59/10/22/1093591022.db2.gz LMESWTFVNBKAEJ-KRWDZBQOSA-N 2 1 364.493 4.334 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331143 1093591027 /nfs/dbraw/zinc/59/10/27/1093591027.db2.gz LMESWTFVNBKAEJ-KRWDZBQOSA-N 2 1 364.493 4.334 20 0 FIADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1c(C)nn(C)c1C ZINC000512979469 1093624259 /nfs/dbraw/zinc/62/42/59/1093624259.db2.gz CWTFBUVBEJPQBL-NDXORKPFSA-N 2 1 354.542 4.131 20 0 FIADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1c(C)nn(C)c1C ZINC000512979469 1093624264 /nfs/dbraw/zinc/62/42/64/1093624264.db2.gz CWTFBUVBEJPQBL-NDXORKPFSA-N 2 1 354.542 4.131 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032305 1093652665 /nfs/dbraw/zinc/65/26/65/1093652665.db2.gz HLWKHISNHNHDLT-IRMYBRCSSA-N 2 1 369.597 4.425 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032305 1093652667 /nfs/dbraw/zinc/65/26/67/1093652667.db2.gz HLWKHISNHNHDLT-IRMYBRCSSA-N 2 1 369.597 4.425 20 0 FIADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032305 1093652671 /nfs/dbraw/zinc/65/26/71/1093652671.db2.gz HLWKHISNHNHDLT-IRMYBRCSSA-N 2 1 369.597 4.425 20 0 FIADMP Cc1ccc([C@@H](CO)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168031833 1093655809 /nfs/dbraw/zinc/65/58/09/1093655809.db2.gz COIGELRGHKBMJH-SFYKDHMMSA-N 2 1 352.522 4.060 20 0 FIADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000513019862 1093665278 /nfs/dbraw/zinc/66/52/78/1093665278.db2.gz INYIQCBNHFAVCB-IOSWFWLXSA-N 2 1 350.934 4.222 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033468 1093721545 /nfs/dbraw/zinc/72/15/45/1093721545.db2.gz LAJZBMGCRQMCDC-KGSLCBSSSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033468 1093721550 /nfs/dbraw/zinc/72/15/50/1093721550.db2.gz LAJZBMGCRQMCDC-KGSLCBSSSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033468 1093721556 /nfs/dbraw/zinc/72/15/56/1093721556.db2.gz LAJZBMGCRQMCDC-KGSLCBSSSA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168033468 1093721560 /nfs/dbraw/zinc/72/15/60/1093721560.db2.gz LAJZBMGCRQMCDC-KGSLCBSSSA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C[C@H](C)N1Cc1ccccc1 ZINC001168033468 1093721565 /nfs/dbraw/zinc/72/15/65/1093721565.db2.gz LAJZBMGCRQMCDC-KGSLCBSSSA-N 2 1 357.586 4.269 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000513080901 1093783237 /nfs/dbraw/zinc/78/32/37/1093783237.db2.gz GNDZLEVDRDSSFH-PXNSSMCTSA-N 2 1 356.485 4.020 20 0 FIADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000513080901 1093783244 /nfs/dbraw/zinc/78/32/44/1093783244.db2.gz GNDZLEVDRDSSFH-PXNSSMCTSA-N 2 1 356.485 4.020 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3ccccc3n2)cc1 ZINC000614387533 1093805737 /nfs/dbraw/zinc/80/57/37/1093805737.db2.gz JXSJPGACGIUQMB-SFHVURJKSA-N 2 1 360.505 4.294 20 0 FIADMP Cc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168035685 1093820780 /nfs/dbraw/zinc/82/07/80/1093820780.db2.gz UIPFIHFYYNQWGQ-IYRWYFENSA-N 2 1 352.522 4.060 20 0 FIADMP Cc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168035685 1093820791 /nfs/dbraw/zinc/82/07/91/1093820791.db2.gz UIPFIHFYYNQWGQ-IYRWYFENSA-N 2 1 352.522 4.060 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000474481090 1093827410 /nfs/dbraw/zinc/82/74/10/1093827410.db2.gz UACKRRRPOGIACI-KRWDZBQOSA-N 2 1 370.493 4.121 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000474481090 1093827418 /nfs/dbraw/zinc/82/74/18/1093827418.db2.gz UACKRRRPOGIACI-KRWDZBQOSA-N 2 1 370.493 4.121 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1 ZINC000509908770 1093888419 /nfs/dbraw/zinc/88/84/19/1093888419.db2.gz GRTHKCBXFLUMJE-UHFFFAOYSA-N 2 1 367.537 4.127 20 0 FIADMP Clc1cccc(Br)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734731 1093974479 /nfs/dbraw/zinc/97/44/79/1093974479.db2.gz CYLNZUQBCOKMAV-UHFFFAOYSA-N 2 1 357.723 4.068 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000513350411 1094073284 /nfs/dbraw/zinc/07/32/84/1094073284.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350411 1094073292 /nfs/dbraw/zinc/07/32/92/1094073292.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H](N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350411 1094073298 /nfs/dbraw/zinc/07/32/98/1094073298.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 2 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513350411 1094073305 /nfs/dbraw/zinc/07/33/05/1094073305.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 3 1 369.597 4.282 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000513350411 1094073311 /nfs/dbraw/zinc/07/33/11/1094073311.db2.gz HSWGNYLHCNHDKB-DWQJTFDBSA-N 3 1 369.597 4.282 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513346170 1094078134 /nfs/dbraw/zinc/07/81/34/1094078134.db2.gz RJLDXCIUHPZDIX-YJMBLLCNSA-N 2 1 352.526 4.010 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513346170 1094078142 /nfs/dbraw/zinc/07/81/42/1094078142.db2.gz RJLDXCIUHPZDIX-YJMBLLCNSA-N 2 1 352.526 4.010 20 0 FIADMP CCCn1nc(C)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000513495465 1094162192 /nfs/dbraw/zinc/16/21/92/1094162192.db2.gz QDVPEQAMTKNFJO-GCJKJVERSA-N 2 1 368.569 4.300 20 0 FIADMP Cc1cccn2c(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cnc12 ZINC000513494990 1094162356 /nfs/dbraw/zinc/16/23/56/1094162356.db2.gz LCXVTFDYKCMLMS-FPOVZHCZSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494783 1094162853 /nfs/dbraw/zinc/16/28/53/1094162853.db2.gz JRLNZVOTHZLVBI-PZJWPPBQSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000513494783 1094162855 /nfs/dbraw/zinc/16/28/55/1094162855.db2.gz JRLNZVOTHZLVBI-PZJWPPBQSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)C[N@H+]1Cc1ccccc1 ZINC000513494783 1094162858 /nfs/dbraw/zinc/16/28/58/1094162858.db2.gz JRLNZVOTHZLVBI-PZJWPPBQSA-N 2 1 374.532 4.467 20 0 FIADMP CC(=O)Nc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000513500015 1094172791 /nfs/dbraw/zinc/17/27/91/1094172791.db2.gz KKGFZXOORXKSNV-XMSQKQJNSA-N 2 1 365.521 4.035 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2csc(C3CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000513500803 1094174127 /nfs/dbraw/zinc/17/41/27/1094174127.db2.gz OWWKLFCPPUTEMA-WMZOPIPTSA-N 2 1 355.551 4.411 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513524799 1094197762 /nfs/dbraw/zinc/19/77/62/1094197762.db2.gz ICGRAOSTCBLBHQ-ZRCGQRJVSA-N 2 1 366.553 4.108 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(C(C)(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000513544976 1094205608 /nfs/dbraw/zinc/20/56/08/1094205608.db2.gz NNUDMEJHNGOFQJ-AZUAARDMSA-N 2 1 354.542 4.028 20 0 FIADMP c1ccc(C[NH+]2CCC([NH2+]CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000513608338 1094243799 /nfs/dbraw/zinc/24/37/99/1094243799.db2.gz GPFMPLUXBBSFGX-UHFFFAOYSA-N 2 1 360.501 4.473 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H](CO)c2ccccc2Cl)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036624 1094294795 /nfs/dbraw/zinc/29/47/95/1094294795.db2.gz VIXZYQONZYWNSD-ZRAXVTTISA-N 2 1 372.940 4.405 20 0 FIADMP Fc1cc2cccnc2c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001648965876 1094342376 /nfs/dbraw/zinc/34/23/76/1094342376.db2.gz VPJPQDXIYMFIJV-LJQANCHMSA-N 2 1 363.480 4.376 20 0 FIADMP COC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000513697689 1094364940 /nfs/dbraw/zinc/36/49/40/1094364940.db2.gz QPADGZRMJSTAAV-VNXZQDSDSA-N 2 1 352.522 4.407 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474596997 1094376142 /nfs/dbraw/zinc/37/61/42/1094376142.db2.gz IHBMSHGEOMAMJQ-XMTFNYHQSA-N 2 1 352.950 4.311 20 0 FIADMP C[N@H+](Cc1ccccc1Br)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044179 1094451104 /nfs/dbraw/zinc/45/11/04/1094451104.db2.gz HUBFMWOHIHVBKM-UHFFFAOYSA-N 2 1 374.326 4.193 20 0 FIADMP C[N@H+](Cc1ccc(Br)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053915 1094484625 /nfs/dbraw/zinc/48/46/25/1094484625.db2.gz SMFFUVMDCCTGFW-UHFFFAOYSA-N 2 1 374.326 4.193 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1 ZINC000474799246 1094617896 /nfs/dbraw/zinc/61/78/96/1094617896.db2.gz ODAVQANIDUXGQY-RTBURBONSA-N 2 1 374.569 4.200 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474792646 1094627794 /nfs/dbraw/zinc/62/77/94/1094627794.db2.gz MIOHXDKXDPSGSJ-SJORKVTESA-N 2 1 352.950 4.311 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000501390334 1094674742 /nfs/dbraw/zinc/67/47/42/1094674742.db2.gz VRJYTFNWOFCKMZ-AOHZBQACSA-N 2 1 363.549 4.262 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CCCC2)CC1 ZINC000501417601 1094695134 /nfs/dbraw/zinc/69/51/34/1094695134.db2.gz BMIPZVFNQNFEOB-CTNGQTDRSA-N 2 1 371.569 4.121 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000501405056 1094697508 /nfs/dbraw/zinc/69/75/08/1094697508.db2.gz IIUMSDQXJUGOCI-ZJSXRUAMSA-N 2 1 363.549 4.405 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000420299837 1094869278 /nfs/dbraw/zinc/86/92/78/1094869278.db2.gz JNGLETVLAVWJLZ-ZBFHGGJFSA-N 2 1 355.507 4.040 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000420299837 1094869288 /nfs/dbraw/zinc/86/92/88/1094869288.db2.gz JNGLETVLAVWJLZ-ZBFHGGJFSA-N 2 1 355.507 4.040 20 0 FIADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315024 1094876478 /nfs/dbraw/zinc/87/64/78/1094876478.db2.gz RKSPEYBYAUNEJJ-JTSKRJEESA-N 2 1 361.489 4.153 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C2CC2)cc1 ZINC000420981091 1095207883 /nfs/dbraw/zinc/20/78/83/1095207883.db2.gz XWNRGHWVUPMGQA-SFHVURJKSA-N 2 1 350.506 4.247 20 0 FIADMP COc1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502321533 1095347057 /nfs/dbraw/zinc/34/70/57/1095347057.db2.gz OGTIGRDWXZIRAW-MRXNPFEDSA-N 2 1 365.477 4.354 20 0 FIADMP COc1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2c1 ZINC000502321533 1095347076 /nfs/dbraw/zinc/34/70/76/1095347076.db2.gz OGTIGRDWXZIRAW-MRXNPFEDSA-N 2 1 365.477 4.354 20 0 FIADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000502330574 1095369654 /nfs/dbraw/zinc/36/96/54/1095369654.db2.gz FYYCWEHQIGWKJU-KRWDZBQOSA-N 2 1 364.468 4.286 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458553 1095487282 /nfs/dbraw/zinc/48/72/82/1095487282.db2.gz CXQQBSQIXWNWTF-UYAOXDASSA-N 2 1 352.526 4.171 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1F ZINC000281360592 1095538148 /nfs/dbraw/zinc/53/81/48/1095538148.db2.gz WBFGXGSOVKDGOF-HXUWFJFHSA-N 2 1 354.404 4.095 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)C[C@H](C)O1 ZINC000192636748 1095695430 /nfs/dbraw/zinc/69/54/30/1095695430.db2.gz VSHGXZQVUSGJPW-LLGFUMIMSA-N 2 1 354.494 4.056 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1C ZINC000502688441 1095701778 /nfs/dbraw/zinc/70/17/78/1095701778.db2.gz ZFDGCWVABCJIRB-LNLFQRSKSA-N 2 1 354.542 4.057 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)oc1C ZINC000502699452 1095723354 /nfs/dbraw/zinc/72/33/54/1095723354.db2.gz YYVOKKWCZDKNPE-FGTMMUONSA-N 2 1 356.510 4.356 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000271824659 1096131284 /nfs/dbraw/zinc/13/12/84/1096131284.db2.gz PPVBDYJRJCQOJJ-DYESRHJHSA-N 2 1 352.526 4.035 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000271824659 1096131289 /nfs/dbraw/zinc/13/12/89/1096131289.db2.gz PPVBDYJRJCQOJJ-DYESRHJHSA-N 2 1 352.526 4.035 20 0 FIADMP Cc1csc(C2([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CCC2)n1 ZINC000271949709 1096143026 /nfs/dbraw/zinc/14/30/26/1096143026.db2.gz JGUVAULUSZFMGS-INIZCTEOSA-N 2 1 359.539 4.122 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000414663885 1096375601 /nfs/dbraw/zinc/37/56/01/1096375601.db2.gz SEDVPKAIYSUEGC-RTBURBONSA-N 2 1 360.505 4.017 20 0 FIADMP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCC1)c1c[nH+]ccc1N ZINC000422738615 1096477319 /nfs/dbraw/zinc/47/73/19/1096477319.db2.gz JQAHOXZPIAZQMQ-CYBMUJFWSA-N 2 1 360.299 4.029 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766540 1096484905 /nfs/dbraw/zinc/48/49/05/1096484905.db2.gz RTRODTFAEAUVPM-SUMDDJOVSA-N 3 1 371.491 4.195 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766540 1096484908 /nfs/dbraw/zinc/48/49/08/1096484908.db2.gz RTRODTFAEAUVPM-SUMDDJOVSA-N 3 1 371.491 4.195 20 0 FIADMP CC[C@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000503591392 1096487576 /nfs/dbraw/zinc/48/75/76/1096487576.db2.gz HRQVRWZBSCYLIL-RXVVDRJESA-N 2 1 356.510 4.206 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000422761322 1096491484 /nfs/dbraw/zinc/49/14/84/1096491484.db2.gz RBRMZYQUFKOYNV-VIZZQPHQSA-N 2 1 360.860 4.386 20 0 FIADMP FC(F)n1c(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc2ccccc21 ZINC000422913922 1096522304 /nfs/dbraw/zinc/52/23/04/1096522304.db2.gz RFXUGBIOFLVQHH-AEFFLSMTSA-N 2 1 370.447 4.057 20 0 FIADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1C(F)(F)F ZINC000422920804 1096532512 /nfs/dbraw/zinc/53/25/12/1096532512.db2.gz NWNQJOQXIDLGAU-CHWSQXEVSA-N 2 1 353.388 4.021 20 0 FIADMP COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422961319 1096540062 /nfs/dbraw/zinc/54/00/62/1096540062.db2.gz YWEUHIKAFFHVQZ-SBUREZEXSA-N 2 1 361.489 4.298 20 0 FIADMP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000423060774 1096560809 /nfs/dbraw/zinc/56/08/09/1096560809.db2.gz IWKSTLCEKACMIJ-VHRBIJSZSA-N 2 1 354.338 4.287 20 0 FIADMP C[C@@H]([NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1c[nH+]ccc1N ZINC000423059068 1096561218 /nfs/dbraw/zinc/56/12/18/1096561218.db2.gz KXKYKIKLFZNFMF-LLVKDONJSA-N 2 1 353.363 4.034 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H](C[NH3+])C1CCCC1)C1CCCCC1 ZINC000414718277 1096583339 /nfs/dbraw/zinc/58/33/39/1096583339.db2.gz VOUVHWUKEIEOMQ-OAQYLSRUSA-N 2 1 372.557 4.090 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503909253 1096593249 /nfs/dbraw/zinc/59/32/49/1096593249.db2.gz LEIKDJJSYKQBRF-JCHJZTRSSA-N 2 1 352.469 4.037 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180987 1096606205 /nfs/dbraw/zinc/60/62/05/1096606205.db2.gz BRKDLALWTPEHOZ-KBXCAEBGSA-N 2 1 374.326 4.162 20 0 FIADMP C[C@H]([NH3+])CC[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423227695 1096623510 /nfs/dbraw/zinc/62/35/10/1096623510.db2.gz WQWMSMZJYNPLID-SJCJKPOMSA-N 2 1 351.263 4.005 20 0 FIADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nnn1-c1cccc(Cl)c1 ZINC000423296083 1096644400 /nfs/dbraw/zinc/64/44/00/1096644400.db2.gz YIPGHFSCIHEOQV-KBPBESRZSA-N 2 1 369.900 4.100 20 0 FIADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359231 1096656085 /nfs/dbraw/zinc/65/60/85/1096656085.db2.gz URWVPXAZXNVRFL-YCSHWKNNSA-N 2 1 361.533 4.431 20 0 FIADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000423506027 1096702603 /nfs/dbraw/zinc/70/26/03/1096702603.db2.gz IHBASXZADNEFID-MDMXATFFSA-N 2 1 369.578 4.282 20 0 FIADMP COc1ccc(-c2nc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cs2)cc1 ZINC000666754606 1098714956 /nfs/dbraw/zinc/71/49/56/1098714956.db2.gz ZPPFGPIWLLSZDJ-AWEZNQCLSA-N 2 1 353.491 4.128 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425499908 1098852204 /nfs/dbraw/zinc/85/22/04/1098852204.db2.gz CALYGVYZJACHHB-UHFFFAOYSA-N 2 1 358.555 4.187 20 0 FIADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296610 1098909979 /nfs/dbraw/zinc/90/99/79/1098909979.db2.gz VFUZGRDKELLIDE-YLJYHZDGSA-N 2 1 360.542 4.022 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000436302386 1098915748 /nfs/dbraw/zinc/91/57/48/1098915748.db2.gz UEADMBQOXNCXAC-DWIQEWEKSA-N 2 1 364.961 4.313 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436402232 1098991366 /nfs/dbraw/zinc/99/13/66/1098991366.db2.gz UUDUNPQTOLPFFS-QDSKXPNFSA-N 2 1 364.533 4.069 20 0 FIADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533534556 1099162388 /nfs/dbraw/zinc/16/23/88/1099162388.db2.gz XKJSPPFOYHAONC-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533534556 1099162390 /nfs/dbraw/zinc/16/23/90/1099162390.db2.gz XKJSPPFOYHAONC-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533534556 1099162404 /nfs/dbraw/zinc/16/24/04/1099162404.db2.gz XKJSPPFOYHAONC-QFBILLFUSA-N 2 1 368.443 4.076 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccccc3OC)CC2)cs1 ZINC000161779075 1099536863 /nfs/dbraw/zinc/53/68/63/1099536863.db2.gz AZZAXWZPZNQNFY-INIZCTEOSA-N 2 1 373.566 4.277 20 0 FIADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(C(F)(F)F)c1 ZINC001167961697 1099576118 /nfs/dbraw/zinc/57/61/18/1099576118.db2.gz NERQEQGLHMCCBV-AYHJJNSGSA-N 2 1 356.407 4.340 20 0 FIADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(C(F)(F)F)c1 ZINC001167961697 1099576130 /nfs/dbraw/zinc/57/61/30/1099576130.db2.gz NERQEQGLHMCCBV-AYHJJNSGSA-N 2 1 356.407 4.340 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098448 1099600521 /nfs/dbraw/zinc/60/05/21/1099600521.db2.gz SAQKVCYNIGHMTD-MAODMQOUSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437098448 1099600531 /nfs/dbraw/zinc/60/05/31/1099600531.db2.gz SAQKVCYNIGHMTD-MAODMQOUSA-N 2 1 354.469 4.150 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000162148643 1099634411 /nfs/dbraw/zinc/63/44/11/1099634411.db2.gz NUOLPWIAGCZANO-UHFFFAOYSA-N 2 1 363.549 4.218 20 0 FIADMP C[C@H]([NH2+]CCc1nc2ccccc2s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508691806 1099824470 /nfs/dbraw/zinc/82/44/70/1099824470.db2.gz QEPKUATUQSQHRB-PKOBYXMFSA-N 2 1 365.546 4.339 20 0 FIADMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701305 1099842060 /nfs/dbraw/zinc/84/20/60/1099842060.db2.gz WNIYKKAQWZLLAT-URXFXBBRSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H](NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701305 1099842072 /nfs/dbraw/zinc/84/20/72/1099842072.db2.gz WNIYKKAQWZLLAT-URXFXBBRSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H](NCCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701305 1099842080 /nfs/dbraw/zinc/84/20/80/1099842080.db2.gz WNIYKKAQWZLLAT-URXFXBBRSA-N 2 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701305 1099842083 /nfs/dbraw/zinc/84/20/83/1099842083.db2.gz WNIYKKAQWZLLAT-URXFXBBRSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508701305 1099842085 /nfs/dbraw/zinc/84/20/85/1099842085.db2.gz WNIYKKAQWZLLAT-URXFXBBRSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701305 1099842095 /nfs/dbraw/zinc/84/20/95/1099842095.db2.gz WNIYKKAQWZLLAT-URXFXBBRSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H]([NH2+]CCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701305 1099842105 /nfs/dbraw/zinc/84/21/05/1099842105.db2.gz WNIYKKAQWZLLAT-URXFXBBRSA-N 3 1 365.565 4.009 20 0 FIADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702510 1099855220 /nfs/dbraw/zinc/85/52/20/1099855220.db2.gz ZILSBGHWGDQPLV-LMMKCTJWSA-N 2 1 374.475 4.232 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508703605 1099858405 /nfs/dbraw/zinc/85/84/05/1099858405.db2.gz ZACGRANPGKTFFA-NVXDSCFRSA-N 2 1 366.549 4.041 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708939 1099888781 /nfs/dbraw/zinc/88/87/81/1099888781.db2.gz FCXQGUBSRIBUKA-KSEOMHKRSA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708939 1099888796 /nfs/dbraw/zinc/88/87/96/1099888796.db2.gz FCXQGUBSRIBUKA-KSEOMHKRSA-N 2 1 369.553 4.163 20 0 FIADMP CCN(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708939 1099888814 /nfs/dbraw/zinc/88/88/14/1099888814.db2.gz FCXQGUBSRIBUKA-KSEOMHKRSA-N 2 1 369.553 4.163 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508711060 1099902447 /nfs/dbraw/zinc/90/24/47/1099902447.db2.gz OBHACPIRMGCZSK-CNNODRBYSA-N 2 1 352.522 4.126 20 0 FIADMP CCOc1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000506055013 1099943229 /nfs/dbraw/zinc/94/32/29/1099943229.db2.gz GVNGJQTZCUNMCV-UHFFFAOYSA-N 2 1 356.510 4.178 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4ccc(C)cc43)CC2)oc1C ZINC000162767887 1099996125 /nfs/dbraw/zinc/99/61/25/1099996125.db2.gz FTJJQAIDBMHFSS-NRFANRHFSA-N 2 1 353.510 4.089 20 0 FIADMP CCOc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1O ZINC000459404515 1100110914 /nfs/dbraw/zinc/11/09/14/1100110914.db2.gz CVKHXYARXXVLHQ-KRWDZBQOSA-N 2 1 354.494 4.106 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Sc1ccc(Br)cc1 ZINC000459404377 1100113517 /nfs/dbraw/zinc/11/35/17/1100113517.db2.gz RADYVLKAGCLUIZ-ZDUSSCGKSA-N 2 1 369.372 4.146 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)CCO1 ZINC000459394796 1100119030 /nfs/dbraw/zinc/11/90/30/1100119030.db2.gz OSIGBVOFBHGNCY-SFHVURJKSA-N 2 1 350.506 4.075 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)CCO1 ZINC000459394796 1100119039 /nfs/dbraw/zinc/11/90/39/1100119039.db2.gz OSIGBVOFBHGNCY-SFHVURJKSA-N 2 1 350.506 4.075 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459394890 1100121361 /nfs/dbraw/zinc/12/13/61/1100121361.db2.gz SQTOILREUHPTDK-XUVXKRRUSA-N 2 1 362.583 4.177 20 0 FIADMP COc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459421469 1100151027 /nfs/dbraw/zinc/15/10/27/1100151027.db2.gz ZGQCEADQABZONJ-UHFFFAOYSA-N 2 1 352.478 4.204 20 0 FIADMP CCCCc1oc2ccccc2c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000536673892 1100163685 /nfs/dbraw/zinc/16/36/85/1100163685.db2.gz AFCCLKFRMNDORY-UHFFFAOYSA-N 2 1 358.526 4.054 20 0 FIADMP CCCCc1oc2ccccc2c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000536673892 1100163693 /nfs/dbraw/zinc/16/36/93/1100163693.db2.gz AFCCLKFRMNDORY-UHFFFAOYSA-N 2 1 358.526 4.054 20 0 FIADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697127 1100200443 /nfs/dbraw/zinc/20/04/43/1100200443.db2.gz DFOIKFSPSDMTOV-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697127 1100200455 /nfs/dbraw/zinc/20/04/55/1100200455.db2.gz DFOIKFSPSDMTOV-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697127 1100200469 /nfs/dbraw/zinc/20/04/69/1100200469.db2.gz DFOIKFSPSDMTOV-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000536697127 1100200479 /nfs/dbraw/zinc/20/04/79/1100200479.db2.gz DFOIKFSPSDMTOV-HXUWFJFHSA-N 2 1 356.485 4.178 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459473778 1100225084 /nfs/dbraw/zinc/22/50/84/1100225084.db2.gz XLFFZUFELIGRNG-YOEHRIQHSA-N 2 1 372.582 4.324 20 0 FIADMP Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459473778 1100225087 /nfs/dbraw/zinc/22/50/87/1100225087.db2.gz XLFFZUFELIGRNG-YOEHRIQHSA-N 2 1 372.582 4.324 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1)CC1CC1 ZINC000536737694 1100262862 /nfs/dbraw/zinc/26/28/62/1100262862.db2.gz QYGNWCMWFFIYEY-UHFFFAOYSA-N 2 1 374.554 4.132 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1)CC1CC1 ZINC000536737694 1100262879 /nfs/dbraw/zinc/26/28/79/1100262879.db2.gz QYGNWCMWFFIYEY-UHFFFAOYSA-N 2 1 374.554 4.132 20 0 FIADMP c1ccc(C[NH+]2CCC([C@H]3CCCCC[N@H+]3Cc3ncccn3)CC2)cc1 ZINC000459531386 1100281723 /nfs/dbraw/zinc/28/17/23/1100281723.db2.gz VPYMLMLOPKZMBZ-JOCHJYFZSA-N 2 1 364.537 4.133 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000536857655 1100373115 /nfs/dbraw/zinc/37/31/15/1100373115.db2.gz LSVBYFLMPRIDOD-OWCLPIDISA-N 2 1 358.448 4.245 20 0 FIADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000536860802 1100376899 /nfs/dbraw/zinc/37/68/99/1100376899.db2.gz AJSNGQPJLPGUJR-MRXNPFEDSA-N 2 1 370.990 4.347 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000425942827 1100379676 /nfs/dbraw/zinc/37/96/76/1100379676.db2.gz GVOAAJMHIHASFF-PKOBYXMFSA-N 2 1 370.562 4.116 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000425942827 1100379684 /nfs/dbraw/zinc/37/96/84/1100379684.db2.gz GVOAAJMHIHASFF-PKOBYXMFSA-N 2 1 370.562 4.116 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000536875030 1100397211 /nfs/dbraw/zinc/39/72/11/1100397211.db2.gz GPVBCVYDKCMWIM-YJBOKZPZSA-N 2 1 373.368 4.263 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000467366034 1100472887 /nfs/dbraw/zinc/47/28/87/1100472887.db2.gz UATJOYPVGKLMNT-KSFYIVLOSA-N 2 1 353.485 4.487 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426022152 1100677420 /nfs/dbraw/zinc/67/74/20/1100677420.db2.gz NGBUQOWFMIPSDA-COPCDDAFSA-N 2 1 364.533 4.053 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414949770 1100907219 /nfs/dbraw/zinc/90/72/19/1100907219.db2.gz FOGHQZHONFDHSO-WFASDCNBSA-N 2 1 357.361 4.037 20 0 FIADMP CC[NH+](CC)CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000509585140 1100984711 /nfs/dbraw/zinc/98/47/11/1100984711.db2.gz ILUVQYNMIUVDJU-UHFFFAOYSA-N 2 1 354.542 4.047 20 0 FIADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414966577 1101011932 /nfs/dbraw/zinc/01/19/32/1101011932.db2.gz GUJXUGCYXSBSMM-LJQANCHMSA-N 2 1 371.912 4.070 20 0 FIADMP CC(C)COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000518277619 1101061088 /nfs/dbraw/zinc/06/10/88/1101061088.db2.gz ZATHUHSRXURPDK-HSZRJFAPSA-N 2 1 366.549 4.376 20 0 FIADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)s1 ZINC000439146571 1101200101 /nfs/dbraw/zinc/20/01/01/1101200101.db2.gz NCKPQBPJXULECY-DVOMOZLQSA-N 2 1 355.345 4.178 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000459723640 1101344729 /nfs/dbraw/zinc/34/47/29/1101344729.db2.gz AIMFSMCNOYNHKS-MXWWQKGMSA-N 2 1 351.332 4.017 20 0 FIADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1O ZINC000426354250 1101348991 /nfs/dbraw/zinc/34/89/91/1101348991.db2.gz YQTLQYPBWXTSJL-GOSISDBHSA-N 2 1 370.537 4.352 20 0 FIADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024565 1101402297 /nfs/dbraw/zinc/40/22/97/1101402297.db2.gz PVUUPHVVHNLJAW-WIYYLYMNSA-N 2 1 353.510 4.186 20 0 FIADMP Cn1cnc2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202874 1101555579 /nfs/dbraw/zinc/55/55/79/1101555579.db2.gz CBPXYUQCRYLGNF-FYYLOGMGSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202874 1101555586 /nfs/dbraw/zinc/55/55/86/1101555586.db2.gz CBPXYUQCRYLGNF-FYYLOGMGSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)ccc21 ZINC000537202874 1101555592 /nfs/dbraw/zinc/55/55/92/1101555592.db2.gz CBPXYUQCRYLGNF-FYYLOGMGSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202874 1101555596 /nfs/dbraw/zinc/55/55/96/1101555596.db2.gz CBPXYUQCRYLGNF-FYYLOGMGSA-N 2 1 374.532 4.060 20 0 FIADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc21 ZINC000537202874 1101555602 /nfs/dbraw/zinc/55/56/02/1101555602.db2.gz CBPXYUQCRYLGNF-FYYLOGMGSA-N 2 1 374.532 4.060 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000537306208 1101629828 /nfs/dbraw/zinc/62/98/28/1101629828.db2.gz CUSVBFXTPHPNAU-SJKOYZFVSA-N 2 1 368.294 4.470 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000537306045 1101631462 /nfs/dbraw/zinc/63/14/62/1101631462.db2.gz BRPKJBGZDZIRBI-ZLGUVYLKSA-N 2 1 370.537 4.414 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000537309149 1101634342 /nfs/dbraw/zinc/63/43/42/1101634342.db2.gz SSPULXNDHKLECZ-CWFSZBLJSA-N 2 1 356.510 4.024 20 0 FIADMP Fc1ccc(C(F)(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167965428 1101872648 /nfs/dbraw/zinc/87/26/48/1101872648.db2.gz FHRXTHUJAGRJQW-ALOPSCKCSA-N 2 1 356.407 4.340 20 0 FIADMP Fc1ccc(C(F)(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167965428 1101872664 /nfs/dbraw/zinc/87/26/64/1101872664.db2.gz FHRXTHUJAGRJQW-ALOPSCKCSA-N 2 1 356.407 4.340 20 0 FIADMP COCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000519076376 1101898922 /nfs/dbraw/zinc/89/89/22/1101898922.db2.gz STRJBMSBDMUGHK-IBGZPJMESA-N 2 1 370.459 4.247 20 0 FIADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189551 1101986461 /nfs/dbraw/zinc/98/64/61/1101986461.db2.gz DJYYZIVJQXDJFF-AKIFATBCSA-N 2 1 370.581 4.474 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897970022 1102151626 /nfs/dbraw/zinc/15/16/26/1102151626.db2.gz DMGNSTWDAONRAA-CWAHVMMESA-N 2 1 354.538 4.292 20 0 FIADMP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)CO1 ZINC000897970022 1102151633 /nfs/dbraw/zinc/15/16/33/1102151633.db2.gz DMGNSTWDAONRAA-CWAHVMMESA-N 2 1 354.538 4.292 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2C)[C@H](C)C1 ZINC000467399101 1102230449 /nfs/dbraw/zinc/23/04/49/1102230449.db2.gz CYLUZKLHCNGIGD-VQIMIIECSA-N 2 1 372.475 4.240 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550796835 1102328238 /nfs/dbraw/zinc/32/82/38/1102328238.db2.gz CXTJJYSDAPWWDG-GPJHCHHRSA-N 2 1 350.506 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000550796835 1102328252 /nfs/dbraw/zinc/32/82/52/1102328252.db2.gz CXTJJYSDAPWWDG-GPJHCHHRSA-N 2 1 350.506 4.189 20 0 FIADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000532448874 1102336214 /nfs/dbraw/zinc/33/62/14/1102336214.db2.gz SDMJSHNLZSQSRR-DEOSSOPVSA-N 2 1 363.549 4.065 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000532453882 1102348682 /nfs/dbraw/zinc/34/86/82/1102348682.db2.gz SJURONJSQOYRRX-ZDUSSCGKSA-N 2 1 357.311 4.359 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2cccc(Br)c2)[C@H](C)C1 ZINC000537635824 1102381613 /nfs/dbraw/zinc/38/16/13/1102381613.db2.gz ZDQLHQXDHLTUPY-DAYGRLMNSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2cccc(Br)c2)[C@H](C)C1 ZINC000537635824 1102381627 /nfs/dbraw/zinc/38/16/27/1102381627.db2.gz ZDQLHQXDHLTUPY-DAYGRLMNSA-N 2 1 353.348 4.215 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2cccc(Br)c2)[C@H](C)C1 ZINC000537635824 1102381637 /nfs/dbraw/zinc/38/16/37/1102381637.db2.gz ZDQLHQXDHLTUPY-DAYGRLMNSA-N 2 1 353.348 4.215 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000532475950 1102412227 /nfs/dbraw/zinc/41/22/27/1102412227.db2.gz UAKWZDPDWUTKAG-JOCHJYFZSA-N 2 1 372.940 4.324 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000121615383 1102422725 /nfs/dbraw/zinc/42/27/25/1102422725.db2.gz UAVUAINHVJRTFJ-STSQHVNTSA-N 2 1 365.521 4.206 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000121615383 1102422731 /nfs/dbraw/zinc/42/27/31/1102422731.db2.gz UAVUAINHVJRTFJ-STSQHVNTSA-N 2 1 365.521 4.206 20 0 FIADMP Cc1ccc(Cl)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1F ZINC001167973076 1102525453 /nfs/dbraw/zinc/52/54/53/1102525453.db2.gz FSRUZONOXKUMDX-ALOPSCKCSA-N 2 1 350.909 4.325 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303780537 1102563417 /nfs/dbraw/zinc/56/34/17/1102563417.db2.gz SJKKGLBIQOYKQA-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303780537 1102563425 /nfs/dbraw/zinc/56/34/25/1102563425.db2.gz SJKKGLBIQOYKQA-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780537 1102563436 /nfs/dbraw/zinc/56/34/36/1102563436.db2.gz SJKKGLBIQOYKQA-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000303780537 1102563443 /nfs/dbraw/zinc/56/34/43/1102563443.db2.gz SJKKGLBIQOYKQA-RDPSFJRHSA-N 2 1 374.532 4.357 20 0 FIADMP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122430910 1102575698 /nfs/dbraw/zinc/57/56/98/1102575698.db2.gz QLKPDZVCBKRDDO-HOTGVXAUSA-N 2 1 360.473 4.187 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000152280014 1102586862 /nfs/dbraw/zinc/58/68/62/1102586862.db2.gz XYQNYFXMEJJMBV-LAUBAEHRSA-N 2 1 364.493 4.261 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+](CCC)CC2)cc1OCC ZINC000061016527 1102616210 /nfs/dbraw/zinc/61/62/10/1102616210.db2.gz NOZXIWZGPFIHCP-UHFFFAOYSA-N 2 1 368.949 4.492 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000550881721 1102653661 /nfs/dbraw/zinc/65/36/61/1102653661.db2.gz BFOHWTZCDGSBII-LRDDRELGSA-N 2 1 373.766 4.310 20 0 FIADMP CC[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000666657047 1102675848 /nfs/dbraw/zinc/67/58/48/1102675848.db2.gz KSJBPMYHIWELGI-XLIONFOSSA-N 2 1 372.557 4.042 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257636 1102682496 /nfs/dbraw/zinc/68/24/96/1102682496.db2.gz OTGXORYLWXCAKO-VABKMULXSA-N 2 1 364.533 4.243 20 0 FIADMP CN(c1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000537649686 1102683399 /nfs/dbraw/zinc/68/33/99/1102683399.db2.gz VOCWBGUMCAFOHV-VXKWHMMOSA-N 2 1 373.610 4.077 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000537652431 1102728414 /nfs/dbraw/zinc/72/84/14/1102728414.db2.gz UXRWEUPQOAIUMZ-AZUAARDMSA-N 2 1 368.569 4.108 20 0 FIADMP COc1cccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCC2)c1 ZINC001167979028 1102746983 /nfs/dbraw/zinc/74/69/83/1102746983.db2.gz SODZPBKKAZKMSF-FRIKZZABSA-N 2 1 368.565 4.403 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012506 1102781570 /nfs/dbraw/zinc/78/15/70/1102781570.db2.gz RLIXMRKNMIAUIN-MOPGFXCFSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012506 1102781582 /nfs/dbraw/zinc/78/15/82/1102781582.db2.gz RLIXMRKNMIAUIN-MOPGFXCFSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](c2ccccc2)[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551013967 1102789750 /nfs/dbraw/zinc/78/97/50/1102789750.db2.gz NOGVGHSMPQAJKQ-GSPCLOLRSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551013967 1102789762 /nfs/dbraw/zinc/78/97/62/1102789762.db2.gz NOGVGHSMPQAJKQ-GSPCLOLRSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551013967 1102789774 /nfs/dbraw/zinc/78/97/74/1102789774.db2.gz NOGVGHSMPQAJKQ-GSPCLOLRSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000551197991 1102975188 /nfs/dbraw/zinc/97/51/88/1102975188.db2.gz KKPWYXRRCUFTOH-SSGKUCQKSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@@H]1c1ccccc1 ZINC000551197991 1102975192 /nfs/dbraw/zinc/97/51/92/1102975192.db2.gz KKPWYXRRCUFTOH-SSGKUCQKSA-N 2 1 350.506 4.332 20 0 FIADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551263641 1103021878 /nfs/dbraw/zinc/02/18/78/1103021878.db2.gz DDUREAVJZFVRRR-DENIHFKCSA-N 2 1 356.554 4.084 20 0 FIADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000551264877 1103023293 /nfs/dbraw/zinc/02/32/93/1103023293.db2.gz DIOLMUYMKCWGSQ-HSZRJFAPSA-N 2 1 350.506 4.066 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C)cc3)cs2)C1 ZINC000509671215 1103126208 /nfs/dbraw/zinc/12/62/08/1103126208.db2.gz CZLZONLSXLWTIB-LJQANCHMSA-N 2 1 373.566 4.051 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(C)cc3)cs2)C1 ZINC000509671215 1103126224 /nfs/dbraw/zinc/12/62/24/1103126224.db2.gz CZLZONLSXLWTIB-LJQANCHMSA-N 2 1 373.566 4.051 20 0 FIADMP Cc1ccccc1[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000551428897 1103220706 /nfs/dbraw/zinc/22/07/06/1103220706.db2.gz WAZHZEPTFXLKSR-FQEVSTJZSA-N 2 1 373.585 4.003 20 0 FIADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)s2)cc1 ZINC000514693201 1103272898 /nfs/dbraw/zinc/27/28/98/1103272898.db2.gz KCVNMDDQTHJFFV-IBGZPJMESA-N 2 1 355.551 4.282 20 0 FIADMP Cc1cc2c(s1)N(C1CC[NH+](CC3CC3)CC1)c1ccccc1NC2=[NH2+] ZINC001168356703 1103314831 /nfs/dbraw/zinc/31/48/31/1103314831.db2.gz TWDVZNMSCBPHEB-UHFFFAOYSA-N 2 1 366.534 4.419 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1 ZINC000551571618 1103378086 /nfs/dbraw/zinc/37/80/86/1103378086.db2.gz NOCGDPSPOXYFGA-IBGZPJMESA-N 2 1 370.459 4.247 20 0 FIADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000551778470 1103624465 /nfs/dbraw/zinc/62/44/65/1103624465.db2.gz ITGDRIZJWDDVMX-IRXDYDNUSA-N 2 1 368.949 4.279 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@@H](C)C1 ZINC000440688625 1103888840 /nfs/dbraw/zinc/88/88/40/1103888840.db2.gz GSRRJAVXKIBUAJ-ICSRJNTNSA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@@H](C)C1 ZINC000440688625 1103888845 /nfs/dbraw/zinc/88/88/45/1103888845.db2.gz GSRRJAVXKIBUAJ-ICSRJNTNSA-N 2 1 362.521 4.163 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)[C@@H](C)C1 ZINC000440688625 1103888854 /nfs/dbraw/zinc/88/88/54/1103888854.db2.gz GSRRJAVXKIBUAJ-ICSRJNTNSA-N 2 1 362.521 4.163 20 0 FIADMP Cn1cnc2cc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)ccc21 ZINC000538304487 1104125216 /nfs/dbraw/zinc/12/52/16/1104125216.db2.gz KRMQLOQIFQAIBU-UHFFFAOYSA-N 2 1 374.532 4.061 20 0 FIADMP C[C@@H](C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000427561400 1104357867 /nfs/dbraw/zinc/35/78/67/1104357867.db2.gz BTUKNOGZQQCDEZ-YOEHRIQHSA-N 2 1 355.448 4.189 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000112517256 1104372778 /nfs/dbraw/zinc/37/27/78/1104372778.db2.gz ZGPUCAYFMMUPEF-OAHLLOKOSA-N 2 1 362.876 4.162 20 0 FIADMP c1ccc2c(c1)cccc2OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441419132 1104399686 /nfs/dbraw/zinc/39/96/86/1104399686.db2.gz JJURSYUUAFFQPX-SIKLNZKXSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419132 1104399694 /nfs/dbraw/zinc/39/96/94/1104399694.db2.gz JJURSYUUAFFQPX-SIKLNZKXSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441419132 1104399705 /nfs/dbraw/zinc/39/97/05/1104399705.db2.gz JJURSYUUAFFQPX-SIKLNZKXSA-N 2 1 350.506 4.167 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000188445463 1104463311 /nfs/dbraw/zinc/46/33/11/1104463311.db2.gz VRWZETWYIYLZKB-YADHBBJMSA-N 2 1 356.485 4.023 20 0 FIADMP Fc1ccc2c(c1)c1c(n2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH2+]C1 ZINC001167994949 1104486371 /nfs/dbraw/zinc/48/63/71/1104486371.db2.gz RHPUJDLQOXGGAA-JWTNVVGKSA-N 2 1 353.485 4.004 20 0 FIADMP c1ccc(COC2CC3(C2)C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)C3)cc1 ZINC001167994453 1104490777 /nfs/dbraw/zinc/49/07/77/1104490777.db2.gz FDTIALQECWVZIZ-CBQGHPETSA-N 2 1 366.549 4.073 20 0 FIADMP c1ccc(COC2CC3(C2)C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)C3)cc1 ZINC001167994453 1104490787 /nfs/dbraw/zinc/49/07/87/1104490787.db2.gz FDTIALQECWVZIZ-CBQGHPETSA-N 2 1 366.549 4.073 20 0 FIADMP c1ccc2cc(OCC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441425126 1104563725 /nfs/dbraw/zinc/56/37/25/1104563725.db2.gz WOHDMGVPPHCSHQ-OFNKIYASSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425126 1104563733 /nfs/dbraw/zinc/56/37/33/1104563733.db2.gz WOHDMGVPPHCSHQ-OFNKIYASSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425126 1104563741 /nfs/dbraw/zinc/56/37/41/1104563741.db2.gz WOHDMGVPPHCSHQ-OFNKIYASSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441425124 1104563785 /nfs/dbraw/zinc/56/37/85/1104563785.db2.gz WOHDMGVPPHCSHQ-NZQKXSOJSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425124 1104563795 /nfs/dbraw/zinc/56/37/95/1104563795.db2.gz WOHDMGVPPHCSHQ-NZQKXSOJSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2cc(OCC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425124 1104563799 /nfs/dbraw/zinc/56/37/99/1104563799.db2.gz WOHDMGVPPHCSHQ-NZQKXSOJSA-N 2 1 350.506 4.167 20 0 FIADMP Cc1ccc2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccc2n1 ZINC000189249623 1104795713 /nfs/dbraw/zinc/79/57/13/1104795713.db2.gz QSIRZFNMTVMZEA-UHFFFAOYSA-N 2 1 359.517 4.340 20 0 FIADMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001143585058 1104815977 /nfs/dbraw/zinc/81/59/77/1104815977.db2.gz DTHKJRVJODWXSJ-UHFFFAOYSA-N 2 1 374.525 4.063 20 0 FIADMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001143585058 1104815983 /nfs/dbraw/zinc/81/59/83/1104815983.db2.gz DTHKJRVJODWXSJ-UHFFFAOYSA-N 2 1 374.525 4.063 20 0 FIADMP O=C1CC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c2ccccc21 ZINC001168001903 1104955541 /nfs/dbraw/zinc/95/55/41/1104955541.db2.gz KGRQCBHYSYDDRY-YOFSQIOKSA-N 2 1 364.533 4.012 20 0 FIADMP O=C1CC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c2ccccc21 ZINC001168001903 1104955545 /nfs/dbraw/zinc/95/55/45/1104955545.db2.gz KGRQCBHYSYDDRY-YOFSQIOKSA-N 2 1 364.533 4.012 20 0 FIADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168002182 1104971180 /nfs/dbraw/zinc/97/11/80/1104971180.db2.gz PQAJXIHYALOVSH-IUPYZPJSSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1cccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001168002182 1104971184 /nfs/dbraw/zinc/97/11/84/1104971184.db2.gz PQAJXIHYALOVSH-IUPYZPJSSA-N 2 1 368.521 4.016 20 0 FIADMP COC(=O)c1cccc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001168002182 1104971186 /nfs/dbraw/zinc/97/11/86/1104971186.db2.gz PQAJXIHYALOVSH-IUPYZPJSSA-N 2 1 368.521 4.016 20 0 FIADMP c1ccc2c(c1)CCC1(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC1)O2 ZINC001168003615 1105002399 /nfs/dbraw/zinc/00/23/99/1105002399.db2.gz PSKWQZKYPQCWAC-CBQGHPETSA-N 2 1 366.549 4.252 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000536476518 1105157293 /nfs/dbraw/zinc/15/72/93/1105157293.db2.gz RIUPMBLCYMVXNH-UHFFFAOYSA-N 2 1 355.482 4.145 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000536476518 1105157298 /nfs/dbraw/zinc/15/72/98/1105157298.db2.gz RIUPMBLCYMVXNH-UHFFFAOYSA-N 2 1 355.482 4.145 20 0 FIADMP CCOC(=O)[C@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC001168064334 1106858215 /nfs/dbraw/zinc/85/82/15/1106858215.db2.gz QKNZJFVKJPIRNF-YXTQBTIXSA-N 2 1 372.553 4.092 20 0 FIADMP CCOC(=O)[C@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC001168064334 1106858234 /nfs/dbraw/zinc/85/82/34/1106858234.db2.gz QKNZJFVKJPIRNF-YXTQBTIXSA-N 2 1 372.553 4.092 20 0 FIADMP Brc1ccsc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918860 1106902250 /nfs/dbraw/zinc/90/22/50/1106902250.db2.gz XUHFQFCKURBYKG-HNNXBMFYSA-N 2 1 365.340 4.122 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000530714390 1107261530 /nfs/dbraw/zinc/26/15/30/1107261530.db2.gz OSTYKWSJHFHDGW-RTWAWAEBSA-N 2 1 352.526 4.134 20 0 FIADMP Cc1ccc2[nH+]ccc(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)c2c1 ZINC000302906189 1107485051 /nfs/dbraw/zinc/48/50/51/1107485051.db2.gz WOFBIGYJBBYFLC-FQEVSTJZSA-N 2 1 361.489 4.112 20 0 FIADMP COc1ccccc1[C@H](CC(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655718459 1107607991 /nfs/dbraw/zinc/60/79/91/1107607991.db2.gz JYHAXSFNKVQYCD-FPOVZHCZSA-N 2 1 360.542 4.015 20 0 FIADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152441200 1107644876 /nfs/dbraw/zinc/64/48/76/1107644876.db2.gz VWIAIXUZTJBYFR-BLLLJJGKSA-N 2 1 367.356 4.060 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)s2)cc1 ZINC000152455052 1107719940 /nfs/dbraw/zinc/71/99/40/1107719940.db2.gz RVWISXDVBIFTQH-HOCLYGCPSA-N 2 1 371.550 4.262 20 0 FIADMP CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000531677391 1108063821 /nfs/dbraw/zinc/06/38/21/1108063821.db2.gz OCIYHSGOAHATMP-LJQANCHMSA-N 2 1 352.522 4.493 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000531785298 1108177629 /nfs/dbraw/zinc/17/76/29/1108177629.db2.gz WWFIRHXWVQWNMP-WIYYLYMNSA-N 2 1 367.537 4.225 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)c3ccncc3)CC2)cs1 ZINC000453110706 1108179525 /nfs/dbraw/zinc/17/95/25/1108179525.db2.gz OABBAURBFNMUNC-LJQANCHMSA-N 2 1 358.555 4.053 20 0 FIADMP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000453128282 1108206437 /nfs/dbraw/zinc/20/64/37/1108206437.db2.gz VAZXKLDHGSVMPV-FQEVSTJZSA-N 2 1 374.960 4.409 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453132797 1108210849 /nfs/dbraw/zinc/21/08/49/1108210849.db2.gz MNJWMDFAXHDLFS-KRWDZBQOSA-N 2 1 352.526 4.145 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2sccc21 ZINC000453197022 1108267619 /nfs/dbraw/zinc/26/76/19/1108267619.db2.gz MSFCCULGYPBWHB-BSIFCXSSSA-N 2 1 370.562 4.433 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)nc2[nH]1 ZINC000453263045 1108336690 /nfs/dbraw/zinc/33/66/90/1108336690.db2.gz YLYABPCJJUQXOI-FDFHNCONSA-N 2 1 360.505 4.096 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)nc2[nH]1 ZINC000453263045 1108336707 /nfs/dbraw/zinc/33/67/07/1108336707.db2.gz YLYABPCJJUQXOI-FDFHNCONSA-N 2 1 360.505 4.096 20 0 FIADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453310467 1108396343 /nfs/dbraw/zinc/39/63/43/1108396343.db2.gz QTUGEHDIVYSSFK-XUVXKRRUSA-N 2 1 355.551 4.027 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CCCCC1 ZINC000714226701 1108401870 /nfs/dbraw/zinc/40/18/70/1108401870.db2.gz OAWUAYHBLAJUKD-FGZHOGPDSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000714226701 1108401881 /nfs/dbraw/zinc/40/18/81/1108401881.db2.gz OAWUAYHBLAJUKD-FGZHOGPDSA-N 2 1 355.570 4.038 20 0 FIADMP C[NH+](Cc1ccccc1)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000714226701 1108401890 /nfs/dbraw/zinc/40/18/90/1108401890.db2.gz OAWUAYHBLAJUKD-FGZHOGPDSA-N 2 1 355.570 4.038 20 0 FIADMP CC(C)[C@H]1C[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453313934 1108402514 /nfs/dbraw/zinc/40/25/14/1108402514.db2.gz DYMKUZNZCHRMJW-WYZYGFAWSA-N 2 1 358.570 4.470 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000531932638 1108404511 /nfs/dbraw/zinc/40/45/11/1108404511.db2.gz BLLKPISQOJOZQE-KSFYIVLOSA-N 2 1 366.484 4.273 20 0 FIADMP COc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1OC ZINC000531955842 1108443495 /nfs/dbraw/zinc/44/34/95/1108443495.db2.gz BPKPBHTUONNKEC-INIZCTEOSA-N 2 1 365.477 4.091 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000531956394 1108445581 /nfs/dbraw/zinc/44/55/81/1108445581.db2.gz GVHXFIUSJUPEFV-RKVPGOIHSA-N 2 1 365.359 4.189 20 0 FIADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988752 1108471086 /nfs/dbraw/zinc/47/10/86/1108471086.db2.gz GFLRZDFXOZDTRF-VQTJNVASSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000531988752 1108471093 /nfs/dbraw/zinc/47/10/93/1108471093.db2.gz GFLRZDFXOZDTRF-VQTJNVASSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000531988752 1108471106 /nfs/dbraw/zinc/47/11/06/1108471106.db2.gz GFLRZDFXOZDTRF-VQTJNVASSA-N 2 1 355.551 4.246 20 0 FIADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000531988752 1108471113 /nfs/dbraw/zinc/47/11/13/1108471113.db2.gz GFLRZDFXOZDTRF-VQTJNVASSA-N 2 1 355.551 4.246 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000531980900 1108495371 /nfs/dbraw/zinc/49/53/71/1108495371.db2.gz FZBHREFOYWYALR-FQEVSTJZSA-N 2 1 356.510 4.347 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1-c1cccc(Cl)c1 ZINC000453399235 1108502613 /nfs/dbraw/zinc/50/26/13/1108502613.db2.gz LEJOORHYANPUBE-OAHLLOKOSA-N 2 1 360.933 4.359 20 0 FIADMP Cc1ccc(-n2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c(C(C)(C)C)n2)cc1 ZINC000532094239 1108653981 /nfs/dbraw/zinc/65/39/81/1108653981.db2.gz MQAFIHRJMGJKMV-GOSISDBHSA-N 2 1 366.553 4.052 20 0 FIADMP Cc1ccc(-n2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c(C(C)(C)C)n2)cc1 ZINC000532094239 1108653991 /nfs/dbraw/zinc/65/39/91/1108653991.db2.gz MQAFIHRJMGJKMV-GOSISDBHSA-N 2 1 366.553 4.052 20 0 FIADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC(F)F)c1 ZINC000524457900 1109020608 /nfs/dbraw/zinc/02/06/08/1109020608.db2.gz LAYFRJZDLLSBAO-IYBDPMFKSA-N 2 1 370.484 4.144 20 0 FIADMP Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000525362975 1109352789 /nfs/dbraw/zinc/35/27/89/1109352789.db2.gz IRUGKNIOTCFBQN-UHFFFAOYSA-N 2 1 363.452 4.455 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000446921214 1109390150 /nfs/dbraw/zinc/39/01/50/1109390150.db2.gz QPAAIFGNRCIOLU-NWSQWKLXSA-N 2 1 374.532 4.389 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000446921214 1109390155 /nfs/dbraw/zinc/39/01/55/1109390155.db2.gz QPAAIFGNRCIOLU-NWSQWKLXSA-N 2 1 374.532 4.389 20 0 FIADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1Cl ZINC000446938954 1109395011 /nfs/dbraw/zinc/39/50/11/1109395011.db2.gz YQIZHXZRLMUOFC-INIZCTEOSA-N 2 1 357.723 4.405 20 0 FIADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(C)c1OCc1ccccn1 ZINC000467518106 1109408904 /nfs/dbraw/zinc/40/89/04/1109408904.db2.gz JOCYCMSOTGYGNK-UHFFFAOYSA-N 2 1 367.537 4.195 20 0 FIADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(C)c1OCc1ccccn1 ZINC000467518106 1109408908 /nfs/dbraw/zinc/40/89/08/1109408908.db2.gz JOCYCMSOTGYGNK-UHFFFAOYSA-N 2 1 367.537 4.195 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000525820780 1109526180 /nfs/dbraw/zinc/52/61/80/1109526180.db2.gz YOBSYJGERLEUKD-UHFFFAOYSA-N 2 1 374.447 4.016 20 0 FIADMP Clc1ccc(Cl)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000525819652 1109526285 /nfs/dbraw/zinc/52/62/85/1109526285.db2.gz LPYZPARTPOEUDF-UHFFFAOYSA-N 2 1 357.325 4.070 20 0 FIADMP CCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000525954840 1109562671 /nfs/dbraw/zinc/56/26/71/1109562671.db2.gz OTVVBNIRHCGQAR-ROUUACIJSA-N 2 1 363.596 4.229 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000447530337 1109564444 /nfs/dbraw/zinc/56/44/44/1109564444.db2.gz MHGYUXGYHMIVPR-IAGOWNOFSA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000447530337 1109564448 /nfs/dbraw/zinc/56/44/48/1109564448.db2.gz MHGYUXGYHMIVPR-IAGOWNOFSA-N 2 1 370.493 4.149 20 0 FIADMP CC(C)(C)c1cnc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000447933707 1109681885 /nfs/dbraw/zinc/68/18/85/1109681885.db2.gz XSOYCLNYOTXKIC-GOSISDBHSA-N 2 1 357.567 4.095 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000448024083 1109696440 /nfs/dbraw/zinc/69/64/40/1109696440.db2.gz WKSNLIRPFKXRAT-DBVUQKKJSA-N 2 1 363.509 4.291 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360871 1109749503 /nfs/dbraw/zinc/74/95/03/1109749503.db2.gz MKDPHSGROKCGSR-REWPJTCUSA-N 2 1 352.522 4.346 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360871 1109749507 /nfs/dbraw/zinc/74/95/07/1109749507.db2.gz MKDPHSGROKCGSR-REWPJTCUSA-N 2 1 352.522 4.346 20 0 FIADMP CCOc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(F)cc1OC ZINC000527634768 1109790844 /nfs/dbraw/zinc/79/08/44/1109790844.db2.gz QIIIKVIFTRPDAD-UHFFFAOYSA-N 2 1 372.484 4.119 20 0 FIADMP Cc1cccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)c1 ZINC000527889061 1109850487 /nfs/dbraw/zinc/85/04/87/1109850487.db2.gz XYYBNONKNGXQDI-GOTSBHOMSA-N 2 1 352.522 4.049 20 0 FIADMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n(C2CCCC2)n1 ZINC000449067336 1109965469 /nfs/dbraw/zinc/96/54/69/1109965469.db2.gz KPHWENCBCDXLGA-UHFFFAOYSA-N 2 1 352.526 4.274 20 0 FIADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000449086051 1109970881 /nfs/dbraw/zinc/97/08/81/1109970881.db2.gz BLDWKWPOMSVLJF-QGZVFWFLSA-N 2 1 367.306 4.040 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449132264 1109981966 /nfs/dbraw/zinc/98/19/66/1109981966.db2.gz TUZUKRSRSFDVCV-IBGZPJMESA-N 2 1 357.567 4.138 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449132264 1109981968 /nfs/dbraw/zinc/98/19/68/1109981968.db2.gz TUZUKRSRSFDVCV-IBGZPJMESA-N 2 1 357.567 4.138 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc3ccccc3cc2OC)[C@@H](C)C1 ZINC000449139406 1109983769 /nfs/dbraw/zinc/98/37/69/1109983769.db2.gz KYPIRVMERINKIL-PGRDOPGGSA-N 2 1 370.537 4.075 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@@H](C)C1 ZINC000449139406 1109983774 /nfs/dbraw/zinc/98/37/74/1109983774.db2.gz KYPIRVMERINKIL-PGRDOPGGSA-N 2 1 370.537 4.075 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449164272 1109990355 /nfs/dbraw/zinc/99/03/55/1109990355.db2.gz PCTFJDGXZPWYJY-ZDUSSCGKSA-N 2 1 356.297 4.336 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449214472 1109996959 /nfs/dbraw/zinc/99/69/59/1109996959.db2.gz WTOVJMALVMAZEM-JTHBVZDNSA-N 2 1 371.613 4.040 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449214472 1109996962 /nfs/dbraw/zinc/99/69/62/1109996962.db2.gz WTOVJMALVMAZEM-JTHBVZDNSA-N 3 1 371.613 4.040 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449214472 1109996965 /nfs/dbraw/zinc/99/69/65/1109996965.db2.gz WTOVJMALVMAZEM-JTHBVZDNSA-N 3 1 371.613 4.040 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000449366469 1110043003 /nfs/dbraw/zinc/04/30/03/1110043003.db2.gz WKOFHMXEIPRBDQ-CFVMTHIKSA-N 2 1 352.404 4.127 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000449552316 1110107849 /nfs/dbraw/zinc/10/78/49/1110107849.db2.gz IOHUCQFBFMQNKY-SFHVURJKSA-N 2 1 358.448 4.247 20 0 FIADMP COc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000449619491 1110127423 /nfs/dbraw/zinc/12/74/23/1110127423.db2.gz PIIRARQZAGNMDF-AQYVVDRMSA-N 2 1 350.506 4.195 20 0 FIADMP COc1cc(F)cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000449781267 1110168644 /nfs/dbraw/zinc/16/86/44/1110168644.db2.gz HQQLGUFHKYMBCJ-QGZVFWFLSA-N 2 1 356.485 4.020 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC/C=C\c3ccccc3)CC2)CC1 ZINC000450477338 1110302806 /nfs/dbraw/zinc/30/28/06/1110302806.db2.gz WAZGPCAJJKOHDH-POHAHGRESA-N 2 1 369.597 4.218 20 0 FIADMP C[N@H+](CC/C=C\c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450477338 1110302808 /nfs/dbraw/zinc/30/28/08/1110302808.db2.gz WAZGPCAJJKOHDH-POHAHGRESA-N 3 1 369.597 4.218 20 0 FIADMP C[N@@H+](CC/C=C\c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450477338 1110302810 /nfs/dbraw/zinc/30/28/10/1110302810.db2.gz WAZGPCAJJKOHDH-POHAHGRESA-N 3 1 369.597 4.218 20 0 FIADMP CCc1cc(CCC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)on1 ZINC000450651174 1110324885 /nfs/dbraw/zinc/32/48/85/1110324885.db2.gz RVOHORRADPNTQC-UHFFFAOYSA-N 2 1 367.537 4.158 20 0 FIADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000538407276 1111118450 /nfs/dbraw/zinc/11/84/50/1111118450.db2.gz RXIUVMBSKVPOFR-VGSWGCGISA-N 2 1 356.485 4.156 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000538409818 1111130553 /nfs/dbraw/zinc/13/05/53/1111130553.db2.gz YOEJQDVRKQPKJI-MBSDFSHPSA-N 2 1 370.512 4.198 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000538738986 1111272280 /nfs/dbraw/zinc/27/22/80/1111272280.db2.gz GPBWFOYRPVOPNI-UHFFFAOYSA-N 2 1 362.517 4.306 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746664 1111279219 /nfs/dbraw/zinc/27/92/19/1111279219.db2.gz RCVVIQFBZDPNJC-CNNODRBYSA-N 2 1 351.538 4.314 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746664 1111279222 /nfs/dbraw/zinc/27/92/22/1111279222.db2.gz RCVVIQFBZDPNJC-CNNODRBYSA-N 2 1 351.538 4.314 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000539041601 1111395122 /nfs/dbraw/zinc/39/51/22/1111395122.db2.gz LQUNITVZDOPVOM-CTNGQTDRSA-N 3 1 357.586 4.140 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000539041606 1111395206 /nfs/dbraw/zinc/39/52/06/1111395206.db2.gz LQUNITVZDOPVOM-TZIWHRDSSA-N 3 1 357.586 4.140 20 0 FIADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccsc2S1 ZINC000539057478 1111404319 /nfs/dbraw/zinc/40/43/19/1111404319.db2.gz AUHWETZUWZBBRD-VIBAHUMZSA-N 2 1 366.596 4.031 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000539071029 1111418080 /nfs/dbraw/zinc/41/80/80/1111418080.db2.gz SXYZSVOCLHALQU-ACJLOTCBSA-N 2 1 362.315 4.257 20 0 FIADMP Brc1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000643522816 1111542300 /nfs/dbraw/zinc/54/23/00/1111542300.db2.gz HODLCZVTGYLKHF-RTBURBONSA-N 2 1 359.311 4.270 20 0 FIADMP CC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000552062515 1111562785 /nfs/dbraw/zinc/56/27/85/1111562785.db2.gz ZZXNOASOXDEVDS-BHDDXSALSA-N 2 1 356.554 4.084 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552110667 1111580709 /nfs/dbraw/zinc/58/07/09/1111580709.db2.gz ZAPFDWHKJMQKNQ-GRFAERAESA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552110667 1111580712 /nfs/dbraw/zinc/58/07/12/1111580712.db2.gz ZAPFDWHKJMQKNQ-GRFAERAESA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552110667 1111580715 /nfs/dbraw/zinc/58/07/15/1111580715.db2.gz ZAPFDWHKJMQKNQ-GRFAERAESA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552110667 1111580720 /nfs/dbraw/zinc/58/07/20/1111580720.db2.gz ZAPFDWHKJMQKNQ-GRFAERAESA-N 2 1 350.453 4.109 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156931 1111595827 /nfs/dbraw/zinc/59/58/27/1111595827.db2.gz CJWDRZLQARPWLJ-FCHUYYIVSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156931 1111595831 /nfs/dbraw/zinc/59/58/31/1111595831.db2.gz CJWDRZLQARPWLJ-FCHUYYIVSA-N 2 1 354.538 4.076 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCC5(CCCC5)O4)C3)C2)cc1 ZINC000552156931 1111595835 /nfs/dbraw/zinc/59/58/35/1111595835.db2.gz CJWDRZLQARPWLJ-FCHUYYIVSA-N 2 1 354.538 4.076 20 0 FIADMP COc1cc(OC)c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000477936152 1111606902 /nfs/dbraw/zinc/60/69/02/1111606902.db2.gz KVNXZCJHOVYBNJ-AWEZNQCLSA-N 2 1 354.922 4.130 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000552246220 1111636930 /nfs/dbraw/zinc/63/69/30/1111636930.db2.gz NDWZYJMZYUOLSB-PMACEKPBSA-N 2 1 364.961 4.457 20 0 FIADMP C[NH+]1CCC(Oc2ccc(CNc3cc[nH+]c4ccsc43)cc2)CC1 ZINC000553253952 1111937129 /nfs/dbraw/zinc/93/71/29/1111937129.db2.gz LQGLLWNJKGMYQL-UHFFFAOYSA-N 2 1 353.491 4.381 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055370 1111937919 /nfs/dbraw/zinc/93/79/19/1111937919.db2.gz FICPBTQCSNDUSM-IFIJOSMWSA-N 2 1 351.332 4.244 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055370 1111937922 /nfs/dbraw/zinc/93/79/22/1111937922.db2.gz FICPBTQCSNDUSM-IFIJOSMWSA-N 2 1 351.332 4.244 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479199371 1111964250 /nfs/dbraw/zinc/96/42/50/1111964250.db2.gz YFQVGURSOYKOPY-ZHRRBRCNSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)CCO1 ZINC000479199371 1111964253 /nfs/dbraw/zinc/96/42/53/1111964253.db2.gz YFQVGURSOYKOPY-ZHRRBRCNSA-N 2 1 370.924 4.338 20 0 FIADMP CC1(C)CC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC(C)(C)[NH2+]1 ZINC000479327787 1111993487 /nfs/dbraw/zinc/99/34/87/1111993487.db2.gz RJDJWGBRMWQNKH-LJQANCHMSA-N 2 1 352.526 4.149 20 0 FIADMP CC(C)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000479406617 1112017316 /nfs/dbraw/zinc/01/73/16/1112017316.db2.gz JHHYRSXYKRAGCC-GOSISDBHSA-N 2 1 351.332 4.388 20 0 FIADMP CC(C)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000479406618 1112017613 /nfs/dbraw/zinc/01/76/13/1112017613.db2.gz JHHYRSXYKRAGCC-SFHVURJKSA-N 2 1 351.332 4.388 20 0 FIADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000479441354 1112024546 /nfs/dbraw/zinc/02/45/46/1112024546.db2.gz BFFLLMVLAPRKMJ-ZJSXRUAMSA-N 2 1 364.533 4.128 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449108 1112027341 /nfs/dbraw/zinc/02/73/41/1112027341.db2.gz UGCLSARJYOXCSM-RXVVDRJESA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449108 1112027345 /nfs/dbraw/zinc/02/73/45/1112027345.db2.gz UGCLSARJYOXCSM-RXVVDRJESA-N 2 1 358.913 4.139 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479460995 1112032271 /nfs/dbraw/zinc/03/22/71/1112032271.db2.gz AGNNTGHITLJLQP-GHTZIAJQSA-N 2 1 354.469 4.151 20 0 FIADMP COC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC(C)CC1 ZINC000479487205 1112041726 /nfs/dbraw/zinc/04/17/26/1112041726.db2.gz FZRSQFHFWPWOCN-KHBUQGBSSA-N 2 1 356.554 4.367 20 0 FIADMP COc1c(Br)cccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000479553112 1112069736 /nfs/dbraw/zinc/06/97/36/1112069736.db2.gz PLCSRWOEPWTKDM-HNNXBMFYSA-N 2 1 369.347 4.202 20 0 FIADMP COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000554049916 1112175599 /nfs/dbraw/zinc/17/55/99/1112175599.db2.gz YDJVFMZEKIRKSW-DLBZAZTESA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000554049916 1112175601 /nfs/dbraw/zinc/17/56/01/1112175601.db2.gz YDJVFMZEKIRKSW-DLBZAZTESA-N 2 1 371.500 4.312 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(F)cn1 ZINC000554049916 1112175602 /nfs/dbraw/zinc/17/56/02/1112175602.db2.gz YDJVFMZEKIRKSW-DLBZAZTESA-N 2 1 371.500 4.312 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000554050138 1112176815 /nfs/dbraw/zinc/17/68/15/1112176815.db2.gz FYJNFFHIDYNRFX-AYOQOUSVSA-N 2 1 370.459 4.118 20 0 FIADMP CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479885003 1112184993 /nfs/dbraw/zinc/18/49/93/1112184993.db2.gz IWVOVHSHRSKRKL-LJQANCHMSA-N 2 1 352.522 4.322 20 0 FIADMP COc1cc(F)c([C@@H](C)NCCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000480167652 1112305592 /nfs/dbraw/zinc/30/55/92/1112305592.db2.gz JPKJGBPYGQPLAU-MRXNPFEDSA-N 2 1 360.473 4.016 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCCC(F)(F)F)CCCC2)CC1 ZINC000480244263 1112341637 /nfs/dbraw/zinc/34/16/37/1112341637.db2.gz XQVWRQJMJUPPMA-OAHLLOKOSA-N 2 1 350.469 4.121 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480615032 1112502317 /nfs/dbraw/zinc/50/23/17/1112502317.db2.gz SWDVXKBRPRGKQP-IAGOWNOFSA-N 2 1 357.542 4.079 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C)n1 ZINC000480630942 1112510138 /nfs/dbraw/zinc/51/01/38/1112510138.db2.gz LWEGIYYMBXELAB-SJORKVTESA-N 2 1 352.526 4.319 20 0 FIADMP CC[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000554875366 1112541664 /nfs/dbraw/zinc/54/16/64/1112541664.db2.gz BDEDJNLIXXYJKI-UHFFFAOYSA-N 2 1 368.550 4.357 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000480708165 1112556698 /nfs/dbraw/zinc/55/66/98/1112556698.db2.gz RXUNTYVWHGXDHE-NRFANRHFSA-N 2 1 369.578 4.053 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000480697006 1112558443 /nfs/dbraw/zinc/55/84/43/1112558443.db2.gz KCYDSKSGQRGTOK-KFKAGJAMSA-N 2 1 355.551 4.320 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480697006 1112558446 /nfs/dbraw/zinc/55/84/46/1112558446.db2.gz KCYDSKSGQRGTOK-KFKAGJAMSA-N 2 1 355.551 4.320 20 0 FIADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC000480758756 1112589857 /nfs/dbraw/zinc/58/98/57/1112589857.db2.gz OKTFQRIHRBJFOW-HSZRJFAPSA-N 2 1 352.522 4.443 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(COC)cs2)CC1)CC1CC1 ZINC000667758050 1112631181 /nfs/dbraw/zinc/63/11/81/1112631181.db2.gz TXOHQLVSXDDGOR-UHFFFAOYSA-N 2 1 350.572 4.229 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000481304527 1112877622 /nfs/dbraw/zinc/87/76/22/1112877622.db2.gz HZCGVODCRKYLJF-FQEVSTJZSA-N 2 1 374.532 4.496 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000481449848 1112946556 /nfs/dbraw/zinc/94/65/56/1112946556.db2.gz XUWKTUXETKMKSQ-LBPRGKRZSA-N 2 1 355.295 4.256 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539038 1112973066 /nfs/dbraw/zinc/97/30/66/1112973066.db2.gz XNWRJBNFBOZRSC-UWJYYQICSA-N 2 1 368.521 4.304 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539038 1112973069 /nfs/dbraw/zinc/97/30/69/1112973069.db2.gz XNWRJBNFBOZRSC-UWJYYQICSA-N 2 1 368.521 4.304 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cc2c(s1)CCC2 ZINC000481549927 1112978575 /nfs/dbraw/zinc/97/85/75/1112978575.db2.gz ZDVJBXHLIQGPGX-IAGOWNOFSA-N 2 1 370.562 4.308 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cc2c(s1)CCC2 ZINC000481549927 1112978576 /nfs/dbraw/zinc/97/85/76/1112978576.db2.gz ZDVJBXHLIQGPGX-IAGOWNOFSA-N 2 1 370.562 4.308 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000481580541 1112988721 /nfs/dbraw/zinc/98/87/21/1112988721.db2.gz KFCAJUZYPCFRIG-RTBURBONSA-N 2 1 352.522 4.321 20 0 FIADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000481580541 1112988722 /nfs/dbraw/zinc/98/87/22/1112988722.db2.gz KFCAJUZYPCFRIG-RTBURBONSA-N 2 1 352.522 4.321 20 0 FIADMP COC(=O)c1ccc(-c2ccc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000481915540 1113130926 /nfs/dbraw/zinc/13/09/26/1113130926.db2.gz LWGNLOMKQJFOGZ-UHFFFAOYSA-N 2 1 370.493 4.038 20 0 FIADMP COC(=O)c1ccc(-c2ccc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000481915540 1113130927 /nfs/dbraw/zinc/13/09/27/1113130927.db2.gz LWGNLOMKQJFOGZ-UHFFFAOYSA-N 2 1 370.493 4.038 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000482132202 1113178724 /nfs/dbraw/zinc/17/87/24/1113178724.db2.gz HMZAAXOADXVOQN-UXHICEINSA-N 2 1 359.558 4.041 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000482123090 1113182389 /nfs/dbraw/zinc/18/23/89/1113182389.db2.gz GTXUPXVNMOSZQX-UZLBHIALSA-N 2 1 356.535 4.246 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482123090 1113182391 /nfs/dbraw/zinc/18/23/91/1113182391.db2.gz GTXUPXVNMOSZQX-UZLBHIALSA-N 2 1 356.535 4.246 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCc1c(Cl)cccc1Cl ZINC000482172175 1113192358 /nfs/dbraw/zinc/19/23/58/1113192358.db2.gz RSCZTRSEVPAJRF-CCKFTAQKSA-N 2 1 371.352 4.110 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000482212493 1113203335 /nfs/dbraw/zinc/20/33/35/1113203335.db2.gz QBTUTPFDEZZLMT-CVDCTZTESA-N 2 1 364.533 4.197 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000482212493 1113203338 /nfs/dbraw/zinc/20/33/38/1113203338.db2.gz QBTUTPFDEZZLMT-CVDCTZTESA-N 2 1 364.533 4.197 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)c1 ZINC000482240600 1113207501 /nfs/dbraw/zinc/20/75/01/1113207501.db2.gz HGYLHLCALTZPFT-IBGZPJMESA-N 2 1 370.562 4.117 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CCCc3ccc4c(c3)CCO4)C2)c1 ZINC000482240600 1113207502 /nfs/dbraw/zinc/20/75/02/1113207502.db2.gz HGYLHLCALTZPFT-IBGZPJMESA-N 2 1 370.562 4.117 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000482309657 1113222046 /nfs/dbraw/zinc/22/20/46/1113222046.db2.gz CBSVMUQJNAXIFU-HNNXBMFYSA-N 2 1 360.473 4.145 20 0 FIADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000482357219 1113232123 /nfs/dbraw/zinc/23/21/23/1113232123.db2.gz XMXZWLRTDYDOMW-GOSISDBHSA-N 2 1 363.615 4.111 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442950 1113257832 /nfs/dbraw/zinc/25/78/32/1113257832.db2.gz ZYHSOWFROUIPPV-GBXCKJPGSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000482541182 1113288434 /nfs/dbraw/zinc/28/84/34/1113288434.db2.gz DZXPGHMBLOFKOT-MJGOQNOKSA-N 2 1 371.594 4.483 20 0 FIADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000482547859 1113293810 /nfs/dbraw/zinc/29/38/10/1113293810.db2.gz BEIQTZBGYJTONL-FVRICEFQSA-N 2 1 369.553 4.063 20 0 FIADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000482547859 1113293812 /nfs/dbraw/zinc/29/38/12/1113293812.db2.gz BEIQTZBGYJTONL-FVRICEFQSA-N 2 1 369.553 4.063 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000482882247 1113391529 /nfs/dbraw/zinc/39/15/29/1113391529.db2.gz AUNZAVKXLNXNRG-QAPCUYQASA-N 2 1 359.341 4.271 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2cccs2)cc1 ZINC000482898712 1113395129 /nfs/dbraw/zinc/39/51/29/1113395129.db2.gz ZLAPUQWUVSUCBJ-PXNSSMCTSA-N 2 1 358.551 4.303 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2cc(Br)ccc2o1 ZINC000668168334 1113403869 /nfs/dbraw/zinc/40/38/69/1113403869.db2.gz UXMBNNMLZKJYFP-UHFFFAOYSA-N 2 1 362.271 4.222 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2cc(Br)ccc2o1 ZINC000668168334 1113403870 /nfs/dbraw/zinc/40/38/70/1113403870.db2.gz UXMBNNMLZKJYFP-UHFFFAOYSA-N 2 1 362.271 4.222 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000483159844 1113451414 /nfs/dbraw/zinc/45/14/14/1113451414.db2.gz SNJJFVFKFIFQJB-JTSKRJEESA-N 2 1 350.506 4.498 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000486080699 1113500791 /nfs/dbraw/zinc/50/07/91/1113500791.db2.gz LEVPPLUHSVUNRA-QRQLOZEOSA-N 2 1 372.475 4.059 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000486236167 1113532494 /nfs/dbraw/zinc/53/24/94/1113532494.db2.gz LKRHLFGGSRUSTA-GOUWZUTHSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000486236167 1113532495 /nfs/dbraw/zinc/53/24/95/1113532495.db2.gz LKRHLFGGSRUSTA-GOUWZUTHSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486708760 1113627194 /nfs/dbraw/zinc/62/71/94/1113627194.db2.gz KHDXSYZFXXNAEB-IIBYNOLFSA-N 2 1 351.469 4.307 20 0 FIADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000487928233 1113826372 /nfs/dbraw/zinc/82/63/72/1113826372.db2.gz IGMPJAMOBCNWOI-UHFFFAOYSA-N 2 1 352.309 4.224 20 0 FIADMP C[C@@H]1CSCC[NH+](Cc2ccccc2C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000488157975 1113864643 /nfs/dbraw/zinc/86/46/43/1113864643.db2.gz FVRNLBKSCUONJU-ROUUACIJSA-N 2 1 364.624 4.056 20 0 FIADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000488329291 1113909256 /nfs/dbraw/zinc/90/92/56/1113909256.db2.gz WWDFBQHVGHMXAR-UHFFFAOYSA-N 2 1 355.551 4.426 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@H](C(C)C)C3)CC2)cs1 ZINC000488414864 1113927323 /nfs/dbraw/zinc/92/73/23/1113927323.db2.gz RMXSKGZCHWKOBJ-WMZOPIPTSA-N 2 1 367.628 4.037 20 0 FIADMP C[C@H]1[C@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489912909 1114191821 /nfs/dbraw/zinc/19/18/21/1114191821.db2.gz XLDZSBFDLPZACK-WMZHIEFXSA-N 2 1 355.570 4.036 20 0 FIADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000489912909 1114191822 /nfs/dbraw/zinc/19/18/22/1114191822.db2.gz XLDZSBFDLPZACK-WMZHIEFXSA-N 2 1 355.570 4.036 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)[C@H](C)C2 ZINC000490191051 1114234335 /nfs/dbraw/zinc/23/43/35/1114234335.db2.gz PECHFMCTLKEJDG-KHCICDEESA-N 2 1 364.533 4.239 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)[C@H](C)C2 ZINC000490191051 1114234341 /nfs/dbraw/zinc/23/43/41/1114234341.db2.gz PECHFMCTLKEJDG-KHCICDEESA-N 2 1 364.533 4.239 20 0 FIADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491059039 1114367924 /nfs/dbraw/zinc/36/79/24/1114367924.db2.gz QVWRDQGCQJYETQ-GOSISDBHSA-N 2 1 352.469 4.376 20 0 FIADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491059039 1114367928 /nfs/dbraw/zinc/36/79/28/1114367928.db2.gz QVWRDQGCQJYETQ-GOSISDBHSA-N 2 1 352.469 4.376 20 0 FIADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571781271 1114537324 /nfs/dbraw/zinc/53/73/24/1114537324.db2.gz RIPCKNWKOGBYRM-FCEUIQTBSA-N 2 1 370.581 4.330 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000589999439 1114872797 /nfs/dbraw/zinc/87/27/97/1114872797.db2.gz INPFIHFVPKACPY-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP c1nc([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n2c1CCCC2 ZINC000573268144 1115088274 /nfs/dbraw/zinc/08/82/74/1115088274.db2.gz CSRWQWUQBKHFMK-FQEVSTJZSA-N 2 1 373.504 4.056 20 0 FIADMP CSC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000591582307 1115109572 /nfs/dbraw/zinc/10/95/72/1115109572.db2.gz FVILLRLTOXNCEO-JKSUJKDBSA-N 2 1 358.473 4.374 20 0 FIADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3nn(C)c4ccccc34)c2)CC1 ZINC000591712943 1115120309 /nfs/dbraw/zinc/12/03/09/1115120309.db2.gz ZIJKQPMYSSDODH-UHFFFAOYSA-N 2 1 362.521 4.095 20 0 FIADMP Fc1ccc(/C=C/C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000573486667 1115130982 /nfs/dbraw/zinc/13/09/82/1115130982.db2.gz MKAHYGQUKGHQGH-ONEGZZNKSA-N 2 1 357.448 4.390 20 0 FIADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573651937 1115161561 /nfs/dbraw/zinc/16/15/61/1115161561.db2.gz QUWVXTYCICXBIE-ZWKOTPCHSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573651937 1115161564 /nfs/dbraw/zinc/16/15/64/1115161564.db2.gz QUWVXTYCICXBIE-ZWKOTPCHSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573651937 1115161566 /nfs/dbraw/zinc/16/15/66/1115161566.db2.gz QUWVXTYCICXBIE-ZWKOTPCHSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573651937 1115161569 /nfs/dbraw/zinc/16/15/69/1115161569.db2.gz QUWVXTYCICXBIE-ZWKOTPCHSA-N 2 1 358.576 4.424 20 0 FIADMP Cc1ccncc1CCC[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573725763 1115178046 /nfs/dbraw/zinc/17/80/46/1115178046.db2.gz NTLFNMQDYLDYCM-RBBKRZOGSA-N 2 1 351.538 4.213 20 0 FIADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000574013317 1115230099 /nfs/dbraw/zinc/23/00/99/1115230099.db2.gz ADYJECMHCCZUPB-IBGZPJMESA-N 2 1 370.294 4.104 20 0 FIADMP C[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000574081820 1115285195 /nfs/dbraw/zinc/28/51/95/1115285195.db2.gz NHAAQJIDXVYRNV-INIZCTEOSA-N 2 1 370.459 4.044 20 0 FIADMP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574199151 1115293736 /nfs/dbraw/zinc/29/37/36/1115293736.db2.gz PEWZZYXYLXRUSV-JOCHJYFZSA-N 2 1 351.538 4.213 20 0 FIADMP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574199151 1115293740 /nfs/dbraw/zinc/29/37/40/1115293740.db2.gz PEWZZYXYLXRUSV-JOCHJYFZSA-N 2 1 351.538 4.213 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000593685896 1115339240 /nfs/dbraw/zinc/33/92/40/1115339240.db2.gz BUCSQQXWCTTWPI-UXHICEINSA-N 2 1 358.526 4.021 20 0 FIADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000595023437 1115505159 /nfs/dbraw/zinc/50/51/59/1115505159.db2.gz YDJUODVUQIVOHI-HOTGVXAUSA-N 2 1 357.498 4.199 20 0 FIADMP COc1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1F ZINC000669708165 1115843218 /nfs/dbraw/zinc/84/32/18/1115843218.db2.gz QHCCTORDSVKVKA-UHFFFAOYSA-N 2 1 356.485 4.178 20 0 FIADMP CC[C@H](C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[NH+](CC)CC ZINC000605425423 1115892650 /nfs/dbraw/zinc/89/26/50/1115892650.db2.gz QQSUQMIIAHDNNV-LJQANCHMSA-N 2 1 356.514 4.114 20 0 FIADMP c1cncc(COc2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)c1 ZINC000606447889 1115944852 /nfs/dbraw/zinc/94/48/52/1115944852.db2.gz LMSNNRPDDWDHCU-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)c1 ZINC000606447889 1115944855 /nfs/dbraw/zinc/94/48/55/1115944855.db2.gz LMSNNRPDDWDHCU-QFIPXVFZSA-N 2 1 365.521 4.111 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)c2O1 ZINC000606469696 1115948089 /nfs/dbraw/zinc/94/80/89/1115948089.db2.gz HGAOAFPUVMGBHI-KRWDZBQOSA-N 2 1 370.562 4.463 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)c2O1 ZINC000606469696 1115948091 /nfs/dbraw/zinc/94/80/91/1115948091.db2.gz HGAOAFPUVMGBHI-KRWDZBQOSA-N 2 1 370.562 4.463 20 0 FIADMP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1 ZINC000608061472 1116079997 /nfs/dbraw/zinc/07/99/97/1116079997.db2.gz DZYBTZVTNFSIIU-WMZOPIPTSA-N 2 1 370.493 4.068 20 0 FIADMP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000534452304 1116200358 /nfs/dbraw/zinc/20/03/58/1116200358.db2.gz JKUFZCPOBWGPKI-WXTAPIANSA-N 2 1 372.578 4.233 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000535369211 1116299525 /nfs/dbraw/zinc/29/95/25/1116299525.db2.gz JEIXUUCEXZBMTM-QMTHXVAHSA-N 2 1 365.237 4.040 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000535369211 1116299527 /nfs/dbraw/zinc/29/95/27/1116299527.db2.gz JEIXUUCEXZBMTM-QMTHXVAHSA-N 2 1 365.237 4.040 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000535369210 1116299664 /nfs/dbraw/zinc/29/96/64/1116299664.db2.gz JEIXUUCEXZBMTM-IINYFYTJSA-N 2 1 365.237 4.040 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000535369210 1116299666 /nfs/dbraw/zinc/29/96/66/1116299666.db2.gz JEIXUUCEXZBMTM-IINYFYTJSA-N 2 1 365.237 4.040 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000539405571 1116332189 /nfs/dbraw/zinc/33/21/89/1116332189.db2.gz CYFXCLGKMPSVNH-SFHVURJKSA-N 2 1 354.542 4.050 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577555 1116347361 /nfs/dbraw/zinc/34/73/61/1116347361.db2.gz RVMQMONLAAOIJO-ZWKOTPCHSA-N 2 1 351.416 4.478 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000539577555 1116347363 /nfs/dbraw/zinc/34/73/63/1116347363.db2.gz RVMQMONLAAOIJO-ZWKOTPCHSA-N 2 1 351.416 4.478 20 0 FIADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000539652011 1116358743 /nfs/dbraw/zinc/35/87/43/1116358743.db2.gz BSPZBVYVGFPSGM-VQIMIIECSA-N 2 1 356.510 4.037 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000539821445 1116385441 /nfs/dbraw/zinc/38/54/41/1116385441.db2.gz UKZVOTMMSLJZBD-RKVPGOIHSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000539821445 1116385444 /nfs/dbraw/zinc/38/54/44/1116385444.db2.gz UKZVOTMMSLJZBD-RKVPGOIHSA-N 2 1 353.348 4.357 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000539821445 1116385446 /nfs/dbraw/zinc/38/54/46/1116385446.db2.gz UKZVOTMMSLJZBD-RKVPGOIHSA-N 2 1 353.348 4.357 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821968 1116386108 /nfs/dbraw/zinc/38/61/08/1116386108.db2.gz UTSRGHHXFFNLKG-HOTGVXAUSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821968 1116386110 /nfs/dbraw/zinc/38/61/10/1116386110.db2.gz UTSRGHHXFFNLKG-HOTGVXAUSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821968 1116386112 /nfs/dbraw/zinc/38/61/12/1116386112.db2.gz UTSRGHHXFFNLKG-HOTGVXAUSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000539821968 1116386114 /nfs/dbraw/zinc/38/61/14/1116386114.db2.gz UTSRGHHXFFNLKG-HOTGVXAUSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821969 1116386278 /nfs/dbraw/zinc/38/62/78/1116386278.db2.gz UTSRGHHXFFNLKG-HZPDHXFCSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821969 1116386279 /nfs/dbraw/zinc/38/62/79/1116386279.db2.gz UTSRGHHXFFNLKG-HZPDHXFCSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821969 1116386281 /nfs/dbraw/zinc/38/62/81/1116386281.db2.gz UTSRGHHXFFNLKG-HZPDHXFCSA-N 2 1 353.348 4.216 20 0 FIADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000539821969 1116386283 /nfs/dbraw/zinc/38/62/83/1116386283.db2.gz UTSRGHHXFFNLKG-HZPDHXFCSA-N 2 1 353.348 4.216 20 0 FIADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835169 1116388903 /nfs/dbraw/zinc/38/89/03/1116388903.db2.gz HSUCKNYYWSUSRN-VFNWGFHPSA-N 2 1 374.960 4.305 20 0 FIADMP Clc1ccc2ncc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2c1 ZINC000539852195 1116392927 /nfs/dbraw/zinc/39/29/27/1116392927.db2.gz PKIBAWSGWQDSSO-UHFFFAOYSA-N 2 1 360.933 4.076 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)s1 ZINC000539899551 1117740841 /nfs/dbraw/zinc/74/08/41/1117740841.db2.gz FSVZNYHYQNVTKE-YZGWKJHDSA-N 2 1 356.535 4.099 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)s1 ZINC000539899360 1117741352 /nfs/dbraw/zinc/74/13/52/1117741352.db2.gz FSVZNYHYQNVTKE-HOJAQTOUSA-N 2 1 356.535 4.099 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000462789433 1117773227 /nfs/dbraw/zinc/77/32/27/1117773227.db2.gz JWHMMENFGAZQSJ-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000540055245 1117844927 /nfs/dbraw/zinc/84/49/27/1117844927.db2.gz GKGKALHHKIRLGG-YLJYHZDGSA-N 2 1 371.525 4.290 20 0 FIADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000540055245 1117844978 /nfs/dbraw/zinc/84/49/78/1117844978.db2.gz GKGKALHHKIRLGG-YLJYHZDGSA-N 2 1 371.525 4.290 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)[C@@H](C)C1 ZINC000540159631 1117903630 /nfs/dbraw/zinc/90/36/30/1117903630.db2.gz BFEDEZYJKKXGHY-UNMCSNQZSA-N 2 1 358.570 4.126 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000463037036 1117930123 /nfs/dbraw/zinc/93/01/23/1117930123.db2.gz VNLKGOSLEAVZRQ-QXCFHYIPSA-N 2 1 350.572 4.313 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1(C)C ZINC000463037036 1117930124 /nfs/dbraw/zinc/93/01/24/1117930124.db2.gz VNLKGOSLEAVZRQ-QXCFHYIPSA-N 2 1 350.572 4.313 20 0 FIADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000540258265 1117961786 /nfs/dbraw/zinc/96/17/86/1117961786.db2.gz FVAUDQYNXJYROR-OXQOHEQNSA-N 2 1 359.514 4.475 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000463112202 1117969766 /nfs/dbraw/zinc/96/97/66/1117969766.db2.gz TUNQLRSYZAQSIQ-NFBKMPQASA-N 2 1 374.532 4.058 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1Cc1ccccc1 ZINC000463112202 1117969767 /nfs/dbraw/zinc/96/97/67/1117969767.db2.gz TUNQLRSYZAQSIQ-NFBKMPQASA-N 2 1 374.532 4.058 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000463114397 1117970485 /nfs/dbraw/zinc/97/04/85/1117970485.db2.gz SJFXPKOTOYQYKN-QFIPXVFZSA-N 2 1 356.460 4.249 20 0 FIADMP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463114635 1117971014 /nfs/dbraw/zinc/97/10/14/1117971014.db2.gz GQYXRCCUVGHJCK-LJQANCHMSA-N 2 1 352.522 4.443 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)CCCCCn2c(C)nc3ccccc32)CC1 ZINC000463103887 1117973596 /nfs/dbraw/zinc/97/35/96/1117973596.db2.gz BGUVXYDACQORPK-UHFFFAOYSA-N 2 1 356.558 4.321 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302132 1117976067 /nfs/dbraw/zinc/97/60/67/1117976067.db2.gz QTJWOPHLVKRZIL-GAJHUEQPSA-N 2 1 368.496 4.287 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)c2)CCO1 ZINC000540302132 1117976068 /nfs/dbraw/zinc/97/60/68/1117976068.db2.gz QTJWOPHLVKRZIL-GAJHUEQPSA-N 2 1 368.496 4.287 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CC2)cc1 ZINC000463145050 1117982432 /nfs/dbraw/zinc/98/24/32/1117982432.db2.gz RGIUVIPTIVOIDT-XMMPIXPASA-N 2 1 364.533 4.443 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463140162 1117987352 /nfs/dbraw/zinc/98/73/52/1117987352.db2.gz VCBLJVHBLHXWFM-NQIIRXRSSA-N 2 1 353.510 4.012 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463140162 1117987356 /nfs/dbraw/zinc/98/73/56/1117987356.db2.gz VCBLJVHBLHXWFM-NQIIRXRSSA-N 2 1 353.510 4.012 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140050 1117987387 /nfs/dbraw/zinc/98/73/87/1117987387.db2.gz KACCDRZDIKBAQD-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140050 1117987390 /nfs/dbraw/zinc/98/73/90/1117987390.db2.gz KACCDRZDIKBAQD-YKSBVNFPSA-N 2 1 374.532 4.074 20 0 FIADMP c1ccc(OC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)cc1 ZINC000540362516 1118015316 /nfs/dbraw/zinc/01/53/16/1118015316.db2.gz LMSWJWZNPRUPRD-QHCPKHFHSA-N 2 1 350.506 4.271 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208938 1118022337 /nfs/dbraw/zinc/02/23/37/1118022337.db2.gz ZSWMGKOWXJBBCI-JUXOCIIHSA-N 2 1 350.506 4.325 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208938 1118022342 /nfs/dbraw/zinc/02/23/42/1118022342.db2.gz ZSWMGKOWXJBBCI-JUXOCIIHSA-N 2 1 350.506 4.325 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000463240306 1118047589 /nfs/dbraw/zinc/04/75/89/1118047589.db2.gz NRSARSCCVCEUPV-JOCHJYFZSA-N 2 1 374.544 4.304 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463273471 1118074219 /nfs/dbraw/zinc/07/42/19/1118074219.db2.gz LKRHLFGGSRUSTA-GMHONNGPSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463273471 1118074224 /nfs/dbraw/zinc/07/42/24/1118074224.db2.gz LKRHLFGGSRUSTA-GMHONNGPSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCNc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463291784 1118076006 /nfs/dbraw/zinc/07/60/06/1118076006.db2.gz YCWPXVFHIUODSD-UYAOXDASSA-N 2 1 355.501 4.270 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCNc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463291784 1118076012 /nfs/dbraw/zinc/07/60/12/1118076012.db2.gz YCWPXVFHIUODSD-UYAOXDASSA-N 2 1 355.501 4.270 20 0 FIADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463290379 1118085519 /nfs/dbraw/zinc/08/55/19/1118085519.db2.gz STJKBJDQFDSFHB-YADHBBJMSA-N 2 1 362.533 4.016 20 0 FIADMP COc1ccc([C@H](C)C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000540497660 1118093921 /nfs/dbraw/zinc/09/39/21/1118093921.db2.gz YUJZEWZDKMCLQG-LJQANCHMSA-N 2 1 352.522 4.395 20 0 FIADMP COc1ccc([C@H](C)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000540497660 1118093925 /nfs/dbraw/zinc/09/39/25/1118093925.db2.gz YUJZEWZDKMCLQG-LJQANCHMSA-N 2 1 352.522 4.395 20 0 FIADMP COc1ccc([C@H](C)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000540497660 1118093928 /nfs/dbraw/zinc/09/39/28/1118093928.db2.gz YUJZEWZDKMCLQG-LJQANCHMSA-N 2 1 352.522 4.395 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000540608781 1118148724 /nfs/dbraw/zinc/14/87/24/1118148724.db2.gz TVYLEBVESWEDQI-QGZVFWFLSA-N 2 1 357.498 4.178 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618866 1118155278 /nfs/dbraw/zinc/15/52/78/1118155278.db2.gz ZXCIHBVKDNVOFE-WDYCEAGBSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618866 1118155280 /nfs/dbraw/zinc/15/52/80/1118155280.db2.gz ZXCIHBVKDNVOFE-WDYCEAGBSA-N 2 1 370.459 4.105 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C[C@@H]1C ZINC000463744322 1118311783 /nfs/dbraw/zinc/31/17/83/1118311783.db2.gz KJHDHKQYVPUFSI-DYXWJJEUSA-N 2 1 374.569 4.091 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C[C@H]1C ZINC000463744324 1118311999 /nfs/dbraw/zinc/31/19/99/1118311999.db2.gz KJHDHKQYVPUFSI-SFHLNBCPSA-N 2 1 374.569 4.091 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000540912206 1118312197 /nfs/dbraw/zinc/31/21/97/1118312197.db2.gz HJNGQMWUFFPOHE-AOMKIAJQSA-N 2 1 367.468 4.355 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000540987914 1118339155 /nfs/dbraw/zinc/33/91/55/1118339155.db2.gz CCOVANFPZKWGIX-JOCHJYFZSA-N 2 1 374.475 4.284 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000540987915 1118339470 /nfs/dbraw/zinc/33/94/70/1118339470.db2.gz CCOVANFPZKWGIX-QFIPXVFZSA-N 2 1 374.475 4.284 20 0 FIADMP CCc1ccc([C@@H](CC)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000540992086 1118341975 /nfs/dbraw/zinc/34/19/75/1118341975.db2.gz UVJQBSCUYXWKME-BJKOFHAPSA-N 2 1 366.549 4.447 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540992650 1118342234 /nfs/dbraw/zinc/34/22/34/1118342234.db2.gz YIULYTOEUVHGRV-PXNSSMCTSA-N 2 1 370.562 4.216 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000464056333 1118427388 /nfs/dbraw/zinc/42/73/88/1118427388.db2.gz XWVWCWGTOFBQCZ-MRXNPFEDSA-N 2 1 350.934 4.483 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000464056333 1118427391 /nfs/dbraw/zinc/42/73/91/1118427391.db2.gz XWVWCWGTOFBQCZ-MRXNPFEDSA-N 2 1 350.934 4.483 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2Br)[C@H](C)C1 ZINC000541281474 1118462503 /nfs/dbraw/zinc/46/25/03/1118462503.db2.gz HUCZHWNKDOUKRQ-CRAIPNDOSA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2Br)[C@H](C)C1 ZINC000541281474 1118462505 /nfs/dbraw/zinc/46/25/05/1118462505.db2.gz HUCZHWNKDOUKRQ-CRAIPNDOSA-N 2 1 353.348 4.044 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2Br)[C@H](C)C1 ZINC000541281474 1118462508 /nfs/dbraw/zinc/46/25/08/1118462508.db2.gz HUCZHWNKDOUKRQ-CRAIPNDOSA-N 2 1 353.348 4.044 20 0 FIADMP C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602839 1118583281 /nfs/dbraw/zinc/58/32/81/1118583281.db2.gz BKNIUIWLKDUNRG-HUUCEWRRSA-N 2 1 354.897 4.101 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464773313 1118688972 /nfs/dbraw/zinc/68/89/72/1118688972.db2.gz IRSZRAHMWTTXNQ-OAQYLSRUSA-N 2 1 366.549 4.456 20 0 FIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464773313 1118688976 /nfs/dbraw/zinc/68/89/76/1118688976.db2.gz IRSZRAHMWTTXNQ-OAQYLSRUSA-N 2 1 366.549 4.456 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785788 1118694903 /nfs/dbraw/zinc/69/49/03/1118694903.db2.gz SMVUNWHKCSVEPQ-FQEVSTJZSA-N 2 1 352.522 4.066 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785788 1118694907 /nfs/dbraw/zinc/69/49/07/1118694907.db2.gz SMVUNWHKCSVEPQ-FQEVSTJZSA-N 2 1 352.522 4.066 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785788 1118694909 /nfs/dbraw/zinc/69/49/09/1118694909.db2.gz SMVUNWHKCSVEPQ-FQEVSTJZSA-N 2 1 352.522 4.066 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000464785788 1118694918 /nfs/dbraw/zinc/69/49/18/1118694918.db2.gz SMVUNWHKCSVEPQ-FQEVSTJZSA-N 2 1 352.522 4.066 20 0 FIADMP CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541916101 1118707168 /nfs/dbraw/zinc/70/71/68/1118707168.db2.gz AKVPBNAXBWKNDX-ZEQRLZLVSA-N 2 1 366.549 4.000 20 0 FIADMP CC(C)Oc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464833563 1118709045 /nfs/dbraw/zinc/70/90/45/1118709045.db2.gz FISMGTXKXUFHIK-JOCHJYFZSA-N 2 1 352.522 4.428 20 0 FIADMP CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464833563 1118709048 /nfs/dbraw/zinc/70/90/48/1118709048.db2.gz FISMGTXKXUFHIK-JOCHJYFZSA-N 2 1 352.522 4.428 20 0 FIADMP CC(C)Oc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464833563 1118709051 /nfs/dbraw/zinc/70/90/51/1118709051.db2.gz FISMGTXKXUFHIK-JOCHJYFZSA-N 2 1 352.522 4.428 20 0 FIADMP CC(C)Oc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464833563 1118709054 /nfs/dbraw/zinc/70/90/54/1118709054.db2.gz FISMGTXKXUFHIK-JOCHJYFZSA-N 2 1 352.522 4.428 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365897 1119035551 /nfs/dbraw/zinc/03/55/51/1119035551.db2.gz UXVBXSFZQAFIQB-IRXDYDNUSA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365897 1119035555 /nfs/dbraw/zinc/03/55/55/1119035555.db2.gz UXVBXSFZQAFIQB-IRXDYDNUSA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365916 1119035748 /nfs/dbraw/zinc/03/57/48/1119035748.db2.gz UXVBXSFZQAFIQB-DLBZAZTESA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365916 1119035752 /nfs/dbraw/zinc/03/57/52/1119035752.db2.gz UXVBXSFZQAFIQB-DLBZAZTESA-N 2 1 374.550 4.328 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(Br)c3)CC2)[nH+]c1 ZINC000173440570 1119040912 /nfs/dbraw/zinc/04/09/12/1119040912.db2.gz AHHCLPRXLGPMKU-HNNXBMFYSA-N 2 1 374.326 4.472 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000492259570 1119056156 /nfs/dbraw/zinc/05/61/56/1119056156.db2.gz QEXBXOFEECWZSW-YVEFUNNKSA-N 2 1 362.315 4.176 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1SC(F)F ZINC000152467561 1119323083 /nfs/dbraw/zinc/32/30/83/1119323083.db2.gz LJSOIKOKYZOFKG-QWHCGFSZSA-N 2 1 356.482 4.145 20 0 FIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000669988634 1119329667 /nfs/dbraw/zinc/32/96/67/1119329667.db2.gz LLZHGZQGWGNCHD-BGYRXZFFSA-N 2 1 368.569 4.243 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310778966 1119343176 /nfs/dbraw/zinc/34/31/76/1119343176.db2.gz BEHBVXXYBJYVSY-FUHWJXTLSA-N 2 1 358.913 4.349 20 0 FIADMP COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310778966 1119343178 /nfs/dbraw/zinc/34/31/78/1119343178.db2.gz BEHBVXXYBJYVSY-FUHWJXTLSA-N 2 1 358.913 4.349 20 0 FIADMP COc1cccc(F)c1[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311517769 1119377788 /nfs/dbraw/zinc/37/77/88/1119377788.db2.gz IQJVGQZRURYLHE-AOIWGVFYSA-N 2 1 356.485 4.396 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000311970719 1119396556 /nfs/dbraw/zinc/39/65/56/1119396556.db2.gz KVHKGPQEEVIXHH-UHFFFAOYSA-N 2 1 352.522 4.476 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620564 1119398608 /nfs/dbraw/zinc/39/86/08/1119398608.db2.gz AWPBJKFFDHCRFF-CTNGQTDRSA-N 2 1 359.517 4.450 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000178620564 1119398615 /nfs/dbraw/zinc/39/86/15/1119398615.db2.gz AWPBJKFFDHCRFF-CTNGQTDRSA-N 2 1 359.517 4.450 20 0 FIADMP Brc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC000493890881 1119504460 /nfs/dbraw/zinc/50/44/60/1119504460.db2.gz IDHUBLZTLCARLJ-NXYGQSRBSA-N 2 1 363.343 4.302 20 0 FIADMP Brc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC000493890881 1119504463 /nfs/dbraw/zinc/50/44/63/1119504463.db2.gz IDHUBLZTLCARLJ-NXYGQSRBSA-N 2 1 363.343 4.302 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000183183954 1119568226 /nfs/dbraw/zinc/56/82/26/1119568226.db2.gz WUFXWSIDAOHZKB-CMKODMSKSA-N 2 1 369.553 4.117 20 0 FIADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183911767 1119588436 /nfs/dbraw/zinc/58/84/36/1119588436.db2.gz IWSQHQJBUGPJDY-DHIUTWEWSA-N 2 1 362.517 4.114 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000184675826 1119619751 /nfs/dbraw/zinc/61/97/51/1119619751.db2.gz BNXNGKDAKCZUPA-UHFFFAOYSA-N 2 1 364.331 4.283 20 0 FIADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000542484503 1119905652 /nfs/dbraw/zinc/90/56/52/1119905652.db2.gz HIPXXFPBPOTRDC-KSFYIVLOSA-N 2 1 362.477 4.167 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190764919 1119948420 /nfs/dbraw/zinc/94/84/20/1119948420.db2.gz RFVIGVFXFIDAMK-IBGZPJMESA-N 2 1 366.553 4.059 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000191092360 1119961166 /nfs/dbraw/zinc/96/11/66/1119961166.db2.gz XEYBOLPSSYPLES-LJQANCHMSA-N 2 1 366.553 4.241 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261934 1119968314 /nfs/dbraw/zinc/96/83/14/1119968314.db2.gz VOBBYGCCYDGXGK-NQIIRXRSSA-N 2 1 368.569 4.162 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cnn1C(C)(C)C ZINC000191261934 1119968316 /nfs/dbraw/zinc/96/83/16/1119968316.db2.gz VOBBYGCCYDGXGK-NQIIRXRSSA-N 2 1 368.569 4.162 20 0 FIADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000191460225 1119978295 /nfs/dbraw/zinc/97/82/95/1119978295.db2.gz HHSVBVYCGTXTQO-LJQANCHMSA-N 2 1 357.542 4.232 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374496 1119981177 /nfs/dbraw/zinc/98/11/77/1119981177.db2.gz XRAFDDDNGBPDSX-FPOVZHCZSA-N 2 1 360.505 4.045 20 0 FIADMP Clc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000192166149 1120033990 /nfs/dbraw/zinc/03/39/90/1120033990.db2.gz WZQVLDHQCVBKCL-UHFFFAOYSA-N 2 1 357.723 4.067 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)s2)c1 ZINC000193071021 1120098001 /nfs/dbraw/zinc/09/80/01/1120098001.db2.gz SBEUEUAFVSKLRZ-HNNXBMFYSA-N 2 1 373.547 4.466 20 0 FIADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)s2)c1 ZINC000193071021 1120098005 /nfs/dbraw/zinc/09/80/05/1120098005.db2.gz SBEUEUAFVSKLRZ-HNNXBMFYSA-N 2 1 373.547 4.466 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132438 1120119182 /nfs/dbraw/zinc/11/91/82/1120119182.db2.gz JRXJOOUDBYLEMS-PXNSSMCTSA-N 2 1 354.542 4.119 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCCO2 ZINC000195133142 1120120641 /nfs/dbraw/zinc/12/06/41/1120120641.db2.gz DNRGUGFLOCQUIM-DENIHFKCSA-N 2 1 366.505 4.021 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194056314 1120234889 /nfs/dbraw/zinc/23/48/89/1120234889.db2.gz VLRLWCRQUQCISW-UHFFFAOYSA-N 2 1 362.315 4.270 20 0 FIADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000495255899 1120589282 /nfs/dbraw/zinc/58/92/82/1120589282.db2.gz RHXBOZXKSWBEEU-UHFFFAOYSA-N 2 1 362.315 4.142 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CCN1Cc1ccccc1 ZINC000495392365 1120770924 /nfs/dbraw/zinc/77/09/24/1120770924.db2.gz YIPIZRCFKPPTBL-GHTZIAJQSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000495392365 1120770931 /nfs/dbraw/zinc/77/09/31/1120770931.db2.gz YIPIZRCFKPPTBL-GHTZIAJQSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000495392365 1120770940 /nfs/dbraw/zinc/77/09/40/1120770940.db2.gz YIPIZRCFKPPTBL-GHTZIAJQSA-N 2 1 367.537 4.402 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434210 1120809833 /nfs/dbraw/zinc/80/98/33/1120809833.db2.gz QSBIOIUUFVFPHA-UEXGIBASSA-N 2 1 350.506 4.278 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1cccn1 ZINC000495443815 1120818020 /nfs/dbraw/zinc/81/80/20/1120818020.db2.gz FHZXCRXAFPTHML-ONTIZHBOSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650765 1120945336 /nfs/dbraw/zinc/94/53/36/1120945336.db2.gz RPZMGOZUPOVLEI-GJZGRUSLSA-N 2 1 358.498 4.153 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650765 1120945338 /nfs/dbraw/zinc/94/53/38/1120945338.db2.gz RPZMGOZUPOVLEI-GJZGRUSLSA-N 2 1 358.498 4.153 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(Br)ncc1F ZINC000762736736 1120957090 /nfs/dbraw/zinc/95/70/90/1120957090.db2.gz RRFLNDBMTBEWCX-ZIAGYGMSSA-N 2 1 372.326 4.288 20 0 FIADMP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)C[NH+]1CCCC1 ZINC000237357346 1120976259 /nfs/dbraw/zinc/97/62/59/1120976259.db2.gz IVMOTRWDOHPWTF-KRWDZBQOSA-N 2 1 373.928 4.136 20 0 FIADMP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)C[NH+]1CCCC1 ZINC000237533878 1120979123 /nfs/dbraw/zinc/97/91/23/1120979123.db2.gz IVMOTRWDOHPWTF-QGZVFWFLSA-N 2 1 373.928 4.136 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000397967151 1121327140 /nfs/dbraw/zinc/32/71/40/1121327140.db2.gz HGNHZZLENYRXLM-WWMYMODYSA-N 2 1 356.485 4.396 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000397967151 1121327149 /nfs/dbraw/zinc/32/71/49/1121327149.db2.gz HGNHZZLENYRXLM-WWMYMODYSA-N 2 1 356.485 4.396 20 0 FIADMP Brc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000166263269 1121461107 /nfs/dbraw/zinc/46/11/07/1121461107.db2.gz CQFCYXARNQDGNX-ZWKOTPCHSA-N 2 1 363.343 4.087 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000108428696 1121541616 /nfs/dbraw/zinc/54/16/16/1121541616.db2.gz BFYRDZRMRHSUSH-QGZVFWFLSA-N 2 1 371.912 4.024 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000671740215 1121642871 /nfs/dbraw/zinc/64/28/71/1121642871.db2.gz TXSPYKUIHGZFPZ-RHTUOURWSA-N 2 1 372.397 4.358 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749990 1121709186 /nfs/dbraw/zinc/70/91/86/1121709186.db2.gz CXBNJNLGQMZSSE-GJYPPUQNSA-N 2 1 365.477 4.095 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749990 1121709193 /nfs/dbraw/zinc/70/91/93/1121709193.db2.gz CXBNJNLGQMZSSE-GJYPPUQNSA-N 2 1 365.477 4.095 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805526 1121842237 /nfs/dbraw/zinc/84/22/37/1121842237.db2.gz DOAJZNVWHSFBDK-WMZOPIPTSA-N 2 1 358.505 4.091 20 0 FIADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000125805526 1121842250 /nfs/dbraw/zinc/84/22/50/1121842250.db2.gz DOAJZNVWHSFBDK-WMZOPIPTSA-N 2 1 358.505 4.091 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc([C@H]4C[C@H]4C)o3)CC2)cs1 ZINC000111397334 1121959520 /nfs/dbraw/zinc/95/95/20/1121959520.db2.gz BNECAEJVHNNJGJ-BEFAXECRSA-N 2 1 373.566 4.424 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126801807 1121997180 /nfs/dbraw/zinc/99/71/80/1121997180.db2.gz MIDPGQJYHZUYSP-HOTGVXAUSA-N 2 1 362.514 4.459 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126801807 1121997183 /nfs/dbraw/zinc/99/71/83/1121997183.db2.gz MIDPGQJYHZUYSP-HOTGVXAUSA-N 2 1 362.514 4.459 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC000917008333 1122000319 /nfs/dbraw/zinc/00/03/19/1122000319.db2.gz JQNNPQFWRIUWJD-KKSFZXQISA-N 2 1 374.475 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000126804118 1122000436 /nfs/dbraw/zinc/00/04/36/1122000436.db2.gz HPYARQTYTXHCLM-KKSFZXQISA-N 2 1 356.535 4.246 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000126804118 1122000446 /nfs/dbraw/zinc/00/04/46/1122000446.db2.gz HPYARQTYTXHCLM-KKSFZXQISA-N 2 1 356.535 4.246 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000126841570 1122015422 /nfs/dbraw/zinc/01/54/22/1122015422.db2.gz UFIPHDNJNAIRRG-KRWDZBQOSA-N 2 1 363.509 4.273 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898007 1122024870 /nfs/dbraw/zinc/02/48/70/1122024870.db2.gz QPNGAUWOCLDJJS-JKSUJKDBSA-N 2 1 358.507 4.040 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898007 1122024880 /nfs/dbraw/zinc/02/48/80/1122024880.db2.gz QPNGAUWOCLDJJS-JKSUJKDBSA-N 2 1 358.507 4.040 20 0 FIADMP COc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1C)[C@@H](c1ccccc1)C2 ZINC000127405292 1122091326 /nfs/dbraw/zinc/09/13/26/1122091326.db2.gz RUPCPIMBRPPXMX-HSZRJFAPSA-N 2 1 361.489 4.390 20 0 FIADMP COc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1C)[C@@H](c1ccccc1)C2 ZINC000127405292 1122091337 /nfs/dbraw/zinc/09/13/37/1122091337.db2.gz RUPCPIMBRPPXMX-HSZRJFAPSA-N 2 1 361.489 4.390 20 0 FIADMP CC1(C)OCc2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)ccc2O1 ZINC000186404309 1122098289 /nfs/dbraw/zinc/09/82/89/1122098289.db2.gz KHRRLTCIRPFDLN-UHFFFAOYSA-N 2 1 358.526 4.076 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)[nH+]1 ZINC000497403682 1122211330 /nfs/dbraw/zinc/21/13/30/1122211330.db2.gz KLVZNGCHDFBRAT-DENIHFKCSA-N 2 1 365.521 4.116 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262664765 1122412937 /nfs/dbraw/zinc/41/29/37/1122412937.db2.gz ISWTVRMLBVHAOU-HMFYCAOWSA-N 2 1 365.521 4.193 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000556058720 1122627961 /nfs/dbraw/zinc/62/79/61/1122627961.db2.gz NNBDCXFKGGSJKO-GOSISDBHSA-N 2 1 357.517 4.047 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104599 1122657635 /nfs/dbraw/zinc/65/76/35/1122657635.db2.gz YWJKDYKEYDDDRR-NQIIRXRSSA-N 2 1 358.913 4.316 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000556104599 1122657638 /nfs/dbraw/zinc/65/76/38/1122657638.db2.gz YWJKDYKEYDDDRR-NQIIRXRSSA-N 2 1 358.913 4.316 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556131842 1122678301 /nfs/dbraw/zinc/67/83/01/1122678301.db2.gz XPFRXZPGHLNBNT-TUNNFDKTSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)C[C@@H]1c1ccccc1 ZINC000556131842 1122678303 /nfs/dbraw/zinc/67/83/03/1122678303.db2.gz XPFRXZPGHLNBNT-TUNNFDKTSA-N 2 1 369.940 4.344 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178780 1122717843 /nfs/dbraw/zinc/71/78/43/1122717843.db2.gz ISLFBGVYDQMBFL-UGKGYDQZSA-N 2 1 366.505 4.036 20 0 FIADMP CC[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194908 1122726386 /nfs/dbraw/zinc/72/63/86/1122726386.db2.gz IQIUTQATWIXTPW-OEMFJLHTSA-N 2 1 364.533 4.290 20 0 FIADMP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194908 1122726390 /nfs/dbraw/zinc/72/63/90/1122726390.db2.gz IQIUTQATWIXTPW-OEMFJLHTSA-N 2 1 364.533 4.290 20 0 FIADMP Cc1ccc2nc(CNCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000556405408 1122867102 /nfs/dbraw/zinc/86/71/02/1122867102.db2.gz YLKXZAMQMSLKSU-GOSISDBHSA-N 2 1 362.521 4.164 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000556405408 1122867109 /nfs/dbraw/zinc/86/71/09/1122867109.db2.gz YLKXZAMQMSLKSU-GOSISDBHSA-N 2 1 362.521 4.164 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000556405408 1122867121 /nfs/dbraw/zinc/86/71/21/1122867121.db2.gz YLKXZAMQMSLKSU-GOSISDBHSA-N 2 1 362.521 4.164 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000130637034 1122892500 /nfs/dbraw/zinc/89/25/00/1122892500.db2.gz IVFBPWMLEMCDLV-UHFFFAOYSA-N 2 1 359.477 4.028 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000130637034 1122892504 /nfs/dbraw/zinc/89/25/04/1122892504.db2.gz IVFBPWMLEMCDLV-UHFFFAOYSA-N 2 1 359.477 4.028 20 0 FIADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(Br)c(Cl)cc2F)CC1 ZINC001236214474 1123062861 /nfs/dbraw/zinc/06/28/61/1123062861.db2.gz FVJDJCCIQIAAOT-UHFFFAOYSA-N 2 1 363.702 4.204 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000131588664 1123126064 /nfs/dbraw/zinc/12/60/64/1123126064.db2.gz IUEOUUOMJBJVEV-LBPRGKRZSA-N 2 1 354.267 4.224 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000131588888 1123127630 /nfs/dbraw/zinc/12/76/30/1123127630.db2.gz IUEOUUOMJBJVEV-GFCCVEGCSA-N 2 1 354.267 4.224 20 0 FIADMP Cc1sc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)nc1-c1ccccc1 ZINC000556887165 1123165024 /nfs/dbraw/zinc/16/50/24/1123165024.db2.gz RXDDFFCFEUTNPK-IPMKNSEASA-N 2 1 355.551 4.123 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556889551 1123175660 /nfs/dbraw/zinc/17/56/60/1123175660.db2.gz JHGPPIBXELTJMA-HQRMLTQVSA-N 2 1 374.569 4.186 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556889554 1123176333 /nfs/dbraw/zinc/17/63/33/1123176333.db2.gz JHGPPIBXELTJMA-XKGZKEIXSA-N 2 1 374.569 4.186 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1OC ZINC000556890728 1123176535 /nfs/dbraw/zinc/17/65/35/1123176535.db2.gz VMCZYFFMKBSXIF-BZSNNMDCSA-N 2 1 360.542 4.316 20 0 FIADMP COc1cccc(C2([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000556912146 1123204024 /nfs/dbraw/zinc/20/40/24/1123204024.db2.gz QVZYXTVQDPAKMQ-QUCCMNQESA-N 2 1 350.506 4.185 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4(c5ccccn5)CCC4)[C@@H]3C2)cc1 ZINC000556925574 1123226588 /nfs/dbraw/zinc/22/65/88/1123226588.db2.gz VGDWAZLWPUJYIH-BDTNDASRSA-N 2 1 361.533 4.004 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc2n[nH]cc2c1 ZINC000556923529 1123232965 /nfs/dbraw/zinc/23/29/65/1123232965.db2.gz KWIJFDYDYRLPFL-DTPUHQDNSA-N 2 1 360.505 4.124 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)c1ccccc1 ZINC000499141001 1123283539 /nfs/dbraw/zinc/28/35/39/1123283539.db2.gz IYKOJDCQSDIOSP-RXOYHEDQSA-N 2 1 363.549 4.297 20 0 FIADMP Brc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974781 1123288189 /nfs/dbraw/zinc/28/81/89/1123288189.db2.gz JYXZVPZVDVOWON-DNVCBOLYSA-N 2 1 363.343 4.244 20 0 FIADMP Brc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000556974781 1123288191 /nfs/dbraw/zinc/28/81/91/1123288191.db2.gz JYXZVPZVDVOWON-DNVCBOLYSA-N 2 1 363.343 4.244 20 0 FIADMP CC(C)(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000499149338 1123292442 /nfs/dbraw/zinc/29/24/42/1123292442.db2.gz UZFXQVLLUNZXPR-DKUWSORSSA-N 2 1 355.570 4.036 20 0 FIADMP Cc1ccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499151778 1123294787 /nfs/dbraw/zinc/29/47/87/1123294787.db2.gz ZBMILAWXCJPVER-KOUNCHBCSA-N 2 1 350.506 4.159 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000920181373 1123397999 /nfs/dbraw/zinc/39/79/99/1123397999.db2.gz UDIROUXUTWJUSJ-LJQANCHMSA-N 2 1 356.485 4.226 20 0 FIADMP c1nn(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1-c1ccccc1 ZINC000920256800 1123422201 /nfs/dbraw/zinc/42/22/01/1123422201.db2.gz GHQAOUQDEQGTSM-UHFFFAOYSA-N 2 1 352.526 4.096 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000152638036 1123433377 /nfs/dbraw/zinc/43/33/77/1123433377.db2.gz ZHRDEQUKVZZHKU-XMSQKQJNSA-N 2 1 350.506 4.165 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCSc1ccccc1Br ZINC000133458573 1123489127 /nfs/dbraw/zinc/48/91/27/1123489127.db2.gz VBLVQKOUDJUULH-HOCLYGCPSA-N 2 1 371.388 4.251 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH+]3CCCC3)cc2)C1 ZINC000920768925 1123517634 /nfs/dbraw/zinc/51/76/34/1123517634.db2.gz MBHNAFSSQYFKGP-IBGZPJMESA-N 2 1 357.542 4.123 20 0 FIADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000237074065 1123592928 /nfs/dbraw/zinc/59/29/28/1123592928.db2.gz HTUVPGWDTOABBD-PZJWPPBQSA-N 2 1 374.569 4.235 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000237187262 1123602270 /nfs/dbraw/zinc/60/22/70/1123602270.db2.gz XZOCEAYNDRXMJZ-LEWJYISDSA-N 2 1 366.553 4.188 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134946055 1123698548 /nfs/dbraw/zinc/69/85/48/1123698548.db2.gz XFDGMJFNGQYZQR-XMSQKQJNSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134946055 1123698555 /nfs/dbraw/zinc/69/85/55/1123698555.db2.gz XFDGMJFNGQYZQR-XMSQKQJNSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134946055 1123698560 /nfs/dbraw/zinc/69/85/60/1123698560.db2.gz XFDGMJFNGQYZQR-XMSQKQJNSA-N 2 1 363.505 4.323 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134946055 1123698562 /nfs/dbraw/zinc/69/85/62/1123698562.db2.gz XFDGMJFNGQYZQR-XMSQKQJNSA-N 2 1 363.505 4.323 20 0 FIADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)cc2)CC1 ZINC000649288420 1123933508 /nfs/dbraw/zinc/93/35/08/1123933508.db2.gz PEJQJQQETLEDED-FQEVSTJZSA-N 2 1 371.912 4.210 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)cc2)C1 ZINC000649288243 1123936596 /nfs/dbraw/zinc/93/65/96/1123936596.db2.gz FTKDDLXUKSKPMD-MGPUTAFESA-N 2 1 371.912 4.210 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)cc2)C1 ZINC000649288243 1123936599 /nfs/dbraw/zinc/93/65/99/1123936599.db2.gz FTKDDLXUKSKPMD-MGPUTAFESA-N 2 1 371.912 4.210 20 0 FIADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416061 1124026217 /nfs/dbraw/zinc/02/62/17/1124026217.db2.gz DVIQIKIALVBBON-AVRDEDQJSA-N 2 1 365.521 4.101 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416061 1124026223 /nfs/dbraw/zinc/02/62/23/1124026223.db2.gz DVIQIKIALVBBON-AVRDEDQJSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416061 1124026229 /nfs/dbraw/zinc/02/62/29/1124026229.db2.gz DVIQIKIALVBBON-AVRDEDQJSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC000245416061 1124026235 /nfs/dbraw/zinc/02/62/35/1124026235.db2.gz DVIQIKIALVBBON-AVRDEDQJSA-N 2 1 365.521 4.101 20 0 FIADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601465 1124134091 /nfs/dbraw/zinc/13/40/91/1124134091.db2.gz MMROEJMQVDPKEK-SJLPKXTDSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601465 1124134092 /nfs/dbraw/zinc/13/40/92/1124134092.db2.gz MMROEJMQVDPKEK-SJLPKXTDSA-N 2 1 374.916 4.054 20 0 FIADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601465 1124134093 /nfs/dbraw/zinc/13/40/93/1124134093.db2.gz MMROEJMQVDPKEK-SJLPKXTDSA-N 2 1 374.916 4.054 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619581 1124146599 /nfs/dbraw/zinc/14/65/99/1124146599.db2.gz ZPCADMNLYRVTPB-NLCWTHGUSA-N 2 1 367.940 4.075 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619581 1124146607 /nfs/dbraw/zinc/14/66/07/1124146607.db2.gz ZPCADMNLYRVTPB-NLCWTHGUSA-N 2 1 367.940 4.075 20 0 FIADMP OCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000245637115 1124155171 /nfs/dbraw/zinc/15/51/71/1124155171.db2.gz ABHHSDSSSPMOLG-BXXSPATCSA-N 2 1 356.554 4.103 20 0 FIADMP c1cn(-c2ccccc2C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245660194 1124176393 /nfs/dbraw/zinc/17/63/93/1124176393.db2.gz FNGHYUBVYGYYLZ-WBDAEOGXSA-N 2 1 372.516 4.158 20 0 FIADMP COCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245701917 1124209843 /nfs/dbraw/zinc/20/98/43/1124209843.db2.gz LUSKAFARPHUPBC-WBDAEOGXSA-N 2 1 350.506 4.118 20 0 FIADMP CO[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000245701837 1124210232 /nfs/dbraw/zinc/21/02/32/1124210232.db2.gz LTTQEEFKZGSJQS-BJESRGMDSA-N 2 1 368.496 4.298 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245787516 1124249492 /nfs/dbraw/zinc/24/94/92/1124249492.db2.gz ZTFCWXHYBCZSPS-XXTHSBEZSA-N 3 1 357.586 4.282 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245787516 1124249499 /nfs/dbraw/zinc/24/94/99/1124249499.db2.gz ZTFCWXHYBCZSPS-XXTHSBEZSA-N 2 1 357.586 4.282 20 0 FIADMP CC(C)Oc1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000450480055 1124395557 /nfs/dbraw/zinc/39/55/57/1124395557.db2.gz ABGSWMMJFDZVQZ-MRXNPFEDSA-N 2 1 350.466 4.140 20 0 FIADMP CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000542846876 1124447380 /nfs/dbraw/zinc/44/73/80/1124447380.db2.gz OBFFACOVUNWAMK-YADARESESA-N 2 1 366.549 4.303 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1OC ZINC000247007012 1124581362 /nfs/dbraw/zinc/58/13/62/1124581362.db2.gz KZFUODZGBRPBFI-PGRDOPGGSA-N 2 1 368.521 4.157 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1OC ZINC000247007012 1124581373 /nfs/dbraw/zinc/58/13/73/1124581373.db2.gz KZFUODZGBRPBFI-PGRDOPGGSA-N 2 1 368.521 4.157 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921775749 1124594629 /nfs/dbraw/zinc/59/46/29/1124594629.db2.gz YUQROXKXUZGKLC-UHFFFAOYSA-N 2 1 364.493 4.123 20 0 FIADMP Cc1cccc([C@H]2CCCN2CCC[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000140296264 1124595347 /nfs/dbraw/zinc/59/53/47/1124595347.db2.gz SUAYZNDOVMSQPE-DHIUTWEWSA-N 2 1 364.537 4.458 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000247950716 1124733626 /nfs/dbraw/zinc/73/36/26/1124733626.db2.gz DZKQEUOBNIWHPP-NSHGMRRFSA-N 2 1 355.526 4.022 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000247950716 1124733635 /nfs/dbraw/zinc/73/36/35/1124733635.db2.gz DZKQEUOBNIWHPP-NSHGMRRFSA-N 2 1 355.526 4.022 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000247957051 1124733776 /nfs/dbraw/zinc/73/37/76/1124733776.db2.gz FRBRNFXSXMRKSB-FUHWJXTLSA-N 2 1 368.974 4.094 20 0 FIADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248433984 1124768611 /nfs/dbraw/zinc/76/86/11/1124768611.db2.gz DOBCUQBQPQNCNM-JZWVFAODSA-N 2 1 364.533 4.290 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168678338 1124769289 /nfs/dbraw/zinc/76/92/89/1124769289.db2.gz VOIGMRFGKOYVKD-IFMALSPDSA-N 2 1 360.542 4.112 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000248449838 1124770381 /nfs/dbraw/zinc/77/03/81/1124770381.db2.gz OQWAVMKLSZQMEQ-LADGPHEKSA-N 2 1 364.533 4.201 20 0 FIADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248456015 1124773022 /nfs/dbraw/zinc/77/30/22/1124773022.db2.gz RVSIXBIHWINTOM-KNQAVFIVSA-N 2 1 374.475 4.018 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1csc(Cl)c1 ZINC000248676009 1124801059 /nfs/dbraw/zinc/80/10/59/1124801059.db2.gz AEWWCYJONUAALL-KDOFPFPSSA-N 2 1 364.942 4.209 20 0 FIADMP CC(C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062426556 1124809025 /nfs/dbraw/zinc/80/90/25/1124809025.db2.gz FSLOUNLZMSFGJW-JOCHJYFZSA-N 2 1 352.522 4.476 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000521917911 1124828125 /nfs/dbraw/zinc/82/81/25/1124828125.db2.gz LKBQGEKZKMENIQ-UGAUIIJPSA-N 3 1 369.597 4.455 20 0 FIADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000521917911 1124828134 /nfs/dbraw/zinc/82/81/34/1124828134.db2.gz LKBQGEKZKMENIQ-UGAUIIJPSA-N 3 1 369.597 4.455 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)C[C@H](C)O1 ZINC000249044961 1124838737 /nfs/dbraw/zinc/83/87/37/1124838737.db2.gz VSHGXZQVUSGJPW-FVJLSDCUSA-N 2 1 354.494 4.056 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2ccccc2s1 ZINC000249210564 1124851095 /nfs/dbraw/zinc/85/10/95/1124851095.db2.gz XUCAOQDJHDBBGP-OXQOHEQNSA-N 2 1 366.530 4.319 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000249452143 1124858393 /nfs/dbraw/zinc/85/83/93/1124858393.db2.gz COAPLIBVVAIELN-LRDDRELGSA-N 2 1 357.361 4.283 20 0 FIADMP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000089595305 1124916234 /nfs/dbraw/zinc/91/62/34/1124916234.db2.gz JGPPAJHGWYDTTA-NHCUHLMSSA-N 2 1 360.517 4.087 20 0 FIADMP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089695973 1124928179 /nfs/dbraw/zinc/92/81/79/1124928179.db2.gz MRZYOKLTNGDNGM-APPDUMDISA-N 2 1 369.734 4.164 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089701446 1124929043 /nfs/dbraw/zinc/92/90/43/1124929043.db2.gz IEEFNQIUNRTAIK-BZNIZROVSA-N 2 1 366.278 4.006 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000090879464 1125024308 /nfs/dbraw/zinc/02/43/08/1125024308.db2.gz AKOZALRVAYZWON-IAGOWNOFSA-N 2 1 372.476 4.173 20 0 FIADMP CC(C)[NH+](C/C=C/C[N@@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000064629190 1125037684 /nfs/dbraw/zinc/03/76/84/1125037684.db2.gz VSVQKLWYVHEUTJ-MDZDMXLPSA-N 2 1 352.526 4.154 20 0 FIADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)cc1C[NH+]1CCCCC1 ZINC000182194499 1125287359 /nfs/dbraw/zinc/28/73/59/1125287359.db2.gz KQOGCUIAOHBVTL-MSOLQXFVSA-N 2 1 353.510 4.488 20 0 FIADMP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376696 1125440107 /nfs/dbraw/zinc/44/01/07/1125440107.db2.gz QSEHEKCIXZMVOZ-SCLBCKFNSA-N 2 1 352.494 4.453 20 0 FIADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000062426942 567952166 /nfs/dbraw/zinc/95/21/66/567952166.db2.gz JGZQZNHRENAFAQ-KRWDZBQOSA-N 2 1 373.928 4.134 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000062426942 567952167 /nfs/dbraw/zinc/95/21/67/567952167.db2.gz JGZQZNHRENAFAQ-KRWDZBQOSA-N 2 1 373.928 4.134 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cnn1-c1cccc(Cl)c1 ZINC000643546939 1079666692 /nfs/dbraw/zinc/66/66/92/1079666692.db2.gz WYTZBRSJJWRSHQ-WMLDXEAASA-N 2 1 358.917 4.159 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430218416 1080005035 /nfs/dbraw/zinc/00/50/35/1080005035.db2.gz LPMZZZFJVSHIEI-GOSISDBHSA-N 2 1 362.315 4.490 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430218416 1080005050 /nfs/dbraw/zinc/00/50/50/1080005050.db2.gz LPMZZZFJVSHIEI-GOSISDBHSA-N 2 1 362.315 4.490 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463163001 1080024844 /nfs/dbraw/zinc/02/48/44/1080024844.db2.gz QNRMUTRSVKDUDX-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463163001 1080024855 /nfs/dbraw/zinc/02/48/55/1080024855.db2.gz QNRMUTRSVKDUDX-KNQAVFIVSA-N 2 1 352.522 4.271 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274808426 1080162039 /nfs/dbraw/zinc/16/20/39/1080162039.db2.gz XGECVZSNQFFGFO-LSUHJGNXSA-N 2 1 364.533 4.407 20 0 FIADMP FC(F)Oc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095391 1080440710 /nfs/dbraw/zinc/44/07/10/1080440710.db2.gz LMJFEDNMSMZSBM-HRAATJIYSA-N 2 1 372.459 4.451 20 0 FIADMP FC(F)Oc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000180095391 1080440715 /nfs/dbraw/zinc/44/07/15/1080440715.db2.gz LMJFEDNMSMZSBM-HRAATJIYSA-N 2 1 372.459 4.451 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1F ZINC000180231071 1080468662 /nfs/dbraw/zinc/46/86/62/1080468662.db2.gz XDAIFPJIUMUIGL-VGSWGCGISA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1F ZINC000180231071 1080468669 /nfs/dbraw/zinc/46/86/69/1080468669.db2.gz XDAIFPJIUMUIGL-VGSWGCGISA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1F ZINC000180524271 1080508419 /nfs/dbraw/zinc/50/84/19/1080508419.db2.gz XWWYJXDCDZIVOU-HXUWFJFHSA-N 2 1 359.489 4.383 20 0 FIADMP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC001648792773 1080625381 /nfs/dbraw/zinc/62/53/81/1080625381.db2.gz UXKGYYZTMNJVNH-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1F ZINC000121153844 1080934027 /nfs/dbraw/zinc/93/40/27/1080934027.db2.gz YFFFEVLMHYTKIJ-IBGZPJMESA-N 2 1 357.379 4.375 20 0 FIADMP c1ccc(C(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000655679673 1081108078 /nfs/dbraw/zinc/10/80/78/1081108078.db2.gz DNDONPWPWTZBOW-QHCPKHFHSA-N 2 1 364.533 4.052 20 0 FIADMP Cc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCCCC2)c1 ZINC000655694627 1081120418 /nfs/dbraw/zinc/12/04/18/1081120418.db2.gz IKILKAYSVLTLDE-QFIPXVFZSA-N 2 1 356.554 4.040 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000655705177 1081125123 /nfs/dbraw/zinc/12/51/23/1081125123.db2.gz YIKWJUZFMPQBLT-GOEBONIOSA-N 2 1 371.352 4.330 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)c1 ZINC000655730282 1081145466 /nfs/dbraw/zinc/14/54/66/1081145466.db2.gz RCZVBSYMIUMIBU-UHFFFAOYSA-N 2 1 362.521 4.231 20 0 FIADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000655751689 1081169166 /nfs/dbraw/zinc/16/91/66/1081169166.db2.gz QESOJOWMLPHGGX-DHIUTWEWSA-N 2 1 364.533 4.037 20 0 FIADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1-c1ccccc1 ZINC000655755544 1081176153 /nfs/dbraw/zinc/17/61/53/1081176153.db2.gz DVWTVOYDIZIZDE-HSZRJFAPSA-N 2 1 364.533 4.395 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)C3)cc1 ZINC000655788836 1081201422 /nfs/dbraw/zinc/20/14/22/1081201422.db2.gz PYZDMZDNWMKKNY-MFKCLSPESA-N 2 1 354.538 4.119 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)c1OC ZINC001648813879 1081215205 /nfs/dbraw/zinc/21/52/05/1081215205.db2.gz DFGABBUEQHKAQX-IYBDPMFKSA-N 2 1 368.949 4.205 20 0 FIADMP CCOc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)c1OC ZINC001648813879 1081215212 /nfs/dbraw/zinc/21/52/12/1081215212.db2.gz DFGABBUEQHKAQX-IYBDPMFKSA-N 2 1 368.949 4.205 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC4(CCCC4)O2)C3)cc1 ZINC000655853730 1081265997 /nfs/dbraw/zinc/26/59/97/1081265997.db2.gz YBNKJZLNIKMXEM-YUMYIRISSA-N 2 1 354.538 4.263 20 0 FIADMP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121919051 1081272282 /nfs/dbraw/zinc/27/22/82/1081272282.db2.gz FVZFVLVOUDBPRG-JOCHJYFZSA-N 2 1 368.496 4.118 20 0 FIADMP CCSc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000547979460 1081316895 /nfs/dbraw/zinc/31/68/95/1081316895.db2.gz QYUKPSSLLQGEJC-PXNSSMCTSA-N 2 1 355.551 4.194 20 0 FIADMP Cc1cccc(OC[C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC001648891705 1081354448 /nfs/dbraw/zinc/35/44/48/1081354448.db2.gz PQGNTXWJYCIMTO-LJQANCHMSA-N 2 1 370.512 4.198 20 0 FIADMP c1cc(C[N@H+](CCc2noc3ccccc32)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000655938836 1081365022 /nfs/dbraw/zinc/36/50/22/1081365022.db2.gz FHJTYZVCYADOCJ-HXUWFJFHSA-N 2 1 367.518 4.076 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289671 1081392904 /nfs/dbraw/zinc/39/29/04/1081392904.db2.gz SBDICILBKVBWMH-MAZHCROVSA-N 2 1 363.299 4.473 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2cc(Br)ccc2o1 ZINC000317289671 1081392910 /nfs/dbraw/zinc/39/29/10/1081392910.db2.gz SBDICILBKVBWMH-MAZHCROVSA-N 2 1 363.299 4.473 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000580101776 1081594175 /nfs/dbraw/zinc/59/41/75/1081594175.db2.gz IOHVVGLHWMYKDE-DLTYFMDKSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000580101776 1081594181 /nfs/dbraw/zinc/59/41/81/1081594181.db2.gz IOHVVGLHWMYKDE-DLTYFMDKSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000580101776 1081594188 /nfs/dbraw/zinc/59/41/88/1081594188.db2.gz IOHVVGLHWMYKDE-DLTYFMDKSA-N 2 1 363.549 4.247 20 0 FIADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483651 1081970674 /nfs/dbraw/zinc/97/06/74/1081970674.db2.gz OPBCYJSMHOUWQX-CTNGQTDRSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483651 1081970677 /nfs/dbraw/zinc/97/06/77/1081970677.db2.gz OPBCYJSMHOUWQX-CTNGQTDRSA-N 2 1 351.494 4.098 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483651 1081970679 /nfs/dbraw/zinc/97/06/79/1081970679.db2.gz OPBCYJSMHOUWQX-CTNGQTDRSA-N 2 1 351.494 4.098 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000580501589 1081985420 /nfs/dbraw/zinc/98/54/20/1081985420.db2.gz LYLXFPRDHJTMJB-KNQAVFIVSA-N 2 1 352.522 4.132 20 0 FIADMP OCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000580774126 1082133058 /nfs/dbraw/zinc/13/30/58/1082133058.db2.gz OOFKVGJGMCMAQK-NRFANRHFSA-N 2 1 356.554 4.106 20 0 FIADMP OCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000580774126 1082133064 /nfs/dbraw/zinc/13/30/64/1082133064.db2.gz OOFKVGJGMCMAQK-NRFANRHFSA-N 2 1 356.554 4.106 20 0 FIADMP OCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000580774129 1082133216 /nfs/dbraw/zinc/13/32/16/1082133216.db2.gz OOFKVGJGMCMAQK-OAQYLSRUSA-N 2 1 356.554 4.106 20 0 FIADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000580774129 1082133218 /nfs/dbraw/zinc/13/32/18/1082133218.db2.gz OOFKVGJGMCMAQK-OAQYLSRUSA-N 2 1 356.554 4.106 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000581103912 1082317598 /nfs/dbraw/zinc/31/75/98/1082317598.db2.gz ZGOKMWPWQKTYJA-ZUUPMSEOSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000581103912 1082317606 /nfs/dbraw/zinc/31/76/06/1082317606.db2.gz ZGOKMWPWQKTYJA-ZUUPMSEOSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000581103912 1082317613 /nfs/dbraw/zinc/31/76/13/1082317613.db2.gz ZGOKMWPWQKTYJA-ZUUPMSEOSA-N 2 1 350.453 4.107 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000581206930 1082370661 /nfs/dbraw/zinc/37/06/61/1082370661.db2.gz NRPIUBKEEIRBCV-MDNUFGMLSA-N 2 1 366.553 4.244 20 0 FIADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000581206930 1082370669 /nfs/dbraw/zinc/37/06/69/1082370669.db2.gz NRPIUBKEEIRBCV-MDNUFGMLSA-N 2 1 366.553 4.244 20 0 FIADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430549275 1082436414 /nfs/dbraw/zinc/43/64/14/1082436414.db2.gz IHWAUFRWJKKWCA-QUCCMNQESA-N 2 1 360.505 4.099 20 0 FIADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCCCCC1 ZINC000510389888 1082477557 /nfs/dbraw/zinc/47/75/57/1082477557.db2.gz UHKABTCRXCCKQB-RBUKOAKNSA-N 2 1 357.542 4.264 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cncc(Br)c2)c1 ZINC000581618454 1082714987 /nfs/dbraw/zinc/71/49/87/1082714987.db2.gz CMMHIAKPLABCDP-CQSZACIVSA-N 2 1 362.315 4.147 20 0 FIADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000656787824 1082772216 /nfs/dbraw/zinc/77/22/16/1082772216.db2.gz WVODTTOOZMSHHO-SLYNCCJLSA-N 2 1 369.940 4.249 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130204305 1082893366 /nfs/dbraw/zinc/89/33/66/1082893366.db2.gz FERUVFHBSBQSKK-MRXNPFEDSA-N 2 1 373.566 4.203 20 0 FIADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000471760861 1082959130 /nfs/dbraw/zinc/95/91/30/1082959130.db2.gz RVYYOVMVNRGLFP-INIZCTEOSA-N 2 1 353.441 4.032 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430758104 1083146567 /nfs/dbraw/zinc/14/65/67/1083146567.db2.gz YZBXQAQJWXFOCM-WNLTYMPLSA-N 2 1 369.322 4.153 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)CCc3c(F)cccc3F)CC2)[nH+]1 ZINC000510688476 1083235764 /nfs/dbraw/zinc/23/57/64/1083235764.db2.gz QSZDYGYPDXOXAW-MRXNPFEDSA-N 2 1 359.464 4.248 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1)C(C)C ZINC000510774429 1083306669 /nfs/dbraw/zinc/30/66/69/1083306669.db2.gz RUVANHVQOQABJU-HXUWFJFHSA-N 2 1 373.566 4.011 20 0 FIADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658269992 1083389725 /nfs/dbraw/zinc/38/97/25/1083389725.db2.gz ZNUZYTDDBHGDDW-UHFFFAOYSA-N 2 1 366.553 4.220 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C3(CCC3)C2)cc1 ZINC000658316667 1083404809 /nfs/dbraw/zinc/40/48/09/1083404809.db2.gz GNDXCMDVRKYPMO-YADHBBJMSA-N 2 1 368.565 4.228 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318716 1083406830 /nfs/dbraw/zinc/40/68/30/1083406830.db2.gz SJLVZDQOFSVSEW-FCHUYYIVSA-N 2 1 361.533 4.351 20 0 FIADMP C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483455 1083468436 /nfs/dbraw/zinc/46/84/36/1083468436.db2.gz NWTPQWMMTMQUPL-HKUYNNGSSA-N 2 1 371.594 4.483 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548488141 1083492247 /nfs/dbraw/zinc/49/22/47/1083492247.db2.gz AMTARPWGBCWAEL-CVDCTZTESA-N 2 1 352.522 4.128 20 0 FIADMP COc1cccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000548488141 1083492259 /nfs/dbraw/zinc/49/22/59/1083492259.db2.gz AMTARPWGBCWAEL-CVDCTZTESA-N 2 1 352.522 4.128 20 0 FIADMP Cn1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)cn1 ZINC000442657326 1083546315 /nfs/dbraw/zinc/54/63/15/1083546315.db2.gz VXYHLDCNQSPWMA-XMMPIXPASA-N 2 1 374.532 4.285 20 0 FIADMP Cn1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)cn1 ZINC000442657325 1083546741 /nfs/dbraw/zinc/54/67/41/1083546741.db2.gz VXYHLDCNQSPWMA-DEOSSOPVSA-N 2 1 374.532 4.285 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000510977815 1083553486 /nfs/dbraw/zinc/55/34/86/1083553486.db2.gz JSAOMVOKXBOSNP-GPJHCHHRSA-N 2 1 370.581 4.472 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000510977815 1083553498 /nfs/dbraw/zinc/55/34/98/1083553498.db2.gz JSAOMVOKXBOSNP-GPJHCHHRSA-N 2 1 370.581 4.472 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc[nH]1 ZINC000375847101 1083681490 /nfs/dbraw/zinc/68/14/90/1083681490.db2.gz ABPRSOQHTKBHBB-QKHUXGNCSA-N 2 1 358.917 4.328 20 0 FIADMP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc[nH]1 ZINC000375847101 1083681501 /nfs/dbraw/zinc/68/15/01/1083681501.db2.gz ABPRSOQHTKBHBB-QKHUXGNCSA-N 2 1 358.917 4.328 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808372 1083694062 /nfs/dbraw/zinc/69/40/62/1083694062.db2.gz BHNLZLRMDYRGGZ-KSSFIOAISA-N 2 1 367.320 4.185 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808372 1083694066 /nfs/dbraw/zinc/69/40/66/1083694066.db2.gz BHNLZLRMDYRGGZ-KSSFIOAISA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808372 1083694069 /nfs/dbraw/zinc/69/40/69/1083694069.db2.gz BHNLZLRMDYRGGZ-KSSFIOAISA-N 2 1 367.320 4.185 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC[C@@H]21 ZINC000535808372 1083694072 /nfs/dbraw/zinc/69/40/72/1083694072.db2.gz BHNLZLRMDYRGGZ-KSSFIOAISA-N 2 1 367.320 4.185 20 0 FIADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180959899 1083702996 /nfs/dbraw/zinc/70/29/96/1083702996.db2.gz ZJNAILZQVDDGKQ-DHIUTWEWSA-N 2 1 364.533 4.134 20 0 FIADMP CO[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1Cl ZINC000090453532 1083763136 /nfs/dbraw/zinc/76/31/36/1083763136.db2.gz YYVJLCVPPJIGOH-HXUWFJFHSA-N 2 1 350.934 4.414 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000236607840 1083820048 /nfs/dbraw/zinc/82/00/48/1083820048.db2.gz CLSQSKMWXGCBBM-AWEZNQCLSA-N 2 1 369.336 4.479 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000236607840 1083820056 /nfs/dbraw/zinc/82/00/56/1083820056.db2.gz CLSQSKMWXGCBBM-AWEZNQCLSA-N 2 1 369.336 4.479 20 0 FIADMP CCn1nc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c2ccccc21 ZINC000472051166 1084181999 /nfs/dbraw/zinc/18/19/99/1084181999.db2.gz DWKAOPWIRRMHOL-UHFFFAOYSA-N 2 1 350.510 4.186 20 0 FIADMP CCn1nc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c2ccccc21 ZINC000472051166 1084182005 /nfs/dbraw/zinc/18/20/05/1084182005.db2.gz DWKAOPWIRRMHOL-UHFFFAOYSA-N 2 1 350.510 4.186 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000685837925 1084306809 /nfs/dbraw/zinc/30/68/09/1084306809.db2.gz FGUXDVJAZMKGEE-TXQCQQFXSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000685837925 1084306822 /nfs/dbraw/zinc/30/68/22/1084306822.db2.gz FGUXDVJAZMKGEE-TXQCQQFXSA-N 2 1 350.453 4.109 20 0 FIADMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccnn2C)c1 ZINC000548984889 1084324063 /nfs/dbraw/zinc/32/40/63/1084324063.db2.gz VHYOTVZLSKHTJN-UHFFFAOYSA-N 2 1 374.532 4.150 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(C4CCC4)cnn3C)cc2)C1 ZINC000657309186 1084379391 /nfs/dbraw/zinc/37/93/91/1084379391.db2.gz BMHKSLZJJHZGRN-GOSISDBHSA-N 2 1 366.553 4.209 20 0 FIADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000472143039 1084519792 /nfs/dbraw/zinc/51/97/92/1084519792.db2.gz WKKAFPOLLFQXIA-HSZRJFAPSA-N 2 1 364.533 4.303 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000414106883 1084579494 /nfs/dbraw/zinc/57/94/94/1084579494.db2.gz YARHSHDONTXDKO-FGTMMUONSA-N 2 1 373.566 4.350 20 0 FIADMP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(C)c1 ZINC000414115080 1084604184 /nfs/dbraw/zinc/60/41/84/1084604184.db2.gz MMYCIJGRIITODJ-KRWDZBQOSA-N 2 1 371.525 4.171 20 0 FIADMP CC1(C)CCc2ccccc2[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000684773051 1084701913 /nfs/dbraw/zinc/70/19/13/1084701913.db2.gz XDSAEIATCUIXJP-IFMALSPDSA-N 2 1 356.554 4.323 20 0 FIADMP C[C@H](c1ccccc1)N1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657365099 1084746177 /nfs/dbraw/zinc/74/61/77/1084746177.db2.gz FPRSRBKGBKXGPE-QGZVFWFLSA-N 2 1 352.526 4.003 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414181095 1084751203 /nfs/dbraw/zinc/75/12/03/1084751203.db2.gz MMPTYFPHZBNBLK-APWZRJJASA-N 2 1 357.567 4.425 20 0 FIADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143442771 1084782347 /nfs/dbraw/zinc/78/23/47/1084782347.db2.gz LBVRRQVUZPDSCP-UHFFFAOYSA-N 2 1 362.411 4.277 20 0 FIADMP C(CC[N@H+]1CCC[C@@]2(CCSC2)C1)C[NH+]1CCC[C@]2(CCSC2)C1 ZINC000582282487 1084828938 /nfs/dbraw/zinc/82/89/38/1084828938.db2.gz BBHBONBWBBXEHV-BGYRXZFFSA-N 2 1 368.656 4.205 20 0 FIADMP C(CC[N@@H+]1CCC[C@]2(CCSC2)C1)C[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000582282487 1084828940 /nfs/dbraw/zinc/82/89/40/1084828940.db2.gz BBHBONBWBBXEHV-BGYRXZFFSA-N 2 1 368.656 4.205 20 0 FIADMP C(CC[N@H+]1CCC[C@]2(CCSC2)C1)C[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000582282487 1084828945 /nfs/dbraw/zinc/82/89/45/1084828945.db2.gz BBHBONBWBBXEHV-BGYRXZFFSA-N 2 1 368.656 4.205 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000582281761 1084833246 /nfs/dbraw/zinc/83/32/46/1084833246.db2.gz FUARZKLMNRNTPS-XUEUYAKLSA-N 2 1 362.477 4.147 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccncc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000657388136 1084842426 /nfs/dbraw/zinc/84/24/26/1084842426.db2.gz FTCPOYQZUQMAMO-VQIMIIECSA-N 2 1 351.519 4.439 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccncc3s2)CC[N@H+]1Cc1ccccc1 ZINC000657388136 1084842431 /nfs/dbraw/zinc/84/24/31/1084842431.db2.gz FTCPOYQZUQMAMO-VQIMIIECSA-N 2 1 351.519 4.439 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000414266043 1084939454 /nfs/dbraw/zinc/93/94/54/1084939454.db2.gz HMKZQELNHWPGMD-UHFFFAOYSA-N 2 1 370.516 4.207 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2c(C3CCC3)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000657415905 1084952767 /nfs/dbraw/zinc/95/27/67/1084952767.db2.gz OVQYVYXLJVCZOL-ICSRJNTNSA-N 2 1 366.553 4.078 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC001167571941 1084967396 /nfs/dbraw/zinc/96/73/96/1084967396.db2.gz DYDLMIHZTVAETL-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCC3(CCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC001167571941 1084967399 /nfs/dbraw/zinc/96/73/99/1084967399.db2.gz DYDLMIHZTVAETL-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571941 1084967400 /nfs/dbraw/zinc/96/74/00/1084967400.db2.gz DYDLMIHZTVAETL-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCC3(CCC3)O2)CC[NH+]1Cc1ccccc1 ZINC001167571941 1084967403 /nfs/dbraw/zinc/96/74/03/1084967403.db2.gz DYDLMIHZTVAETL-HJNYFJLDSA-N 2 1 356.554 4.463 20 0 FIADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001167573363 1084992860 /nfs/dbraw/zinc/99/28/60/1084992860.db2.gz VKNLBHHDVKEEFE-YMPZKCBVSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573363 1084992863 /nfs/dbraw/zinc/99/28/63/1084992863.db2.gz VKNLBHHDVKEEFE-YMPZKCBVSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001167573363 1084992864 /nfs/dbraw/zinc/99/28/64/1084992864.db2.gz VKNLBHHDVKEEFE-YMPZKCBVSA-N 2 1 357.586 4.234 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000472584093 1085049075 /nfs/dbraw/zinc/04/90/75/1085049075.db2.gz GOVNTAOTMZVGSZ-XWDDPXMASA-N 2 1 369.597 4.361 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C2CCCCC2)cc1)C(C)C ZINC000511855271 1085151502 /nfs/dbraw/zinc/15/15/02/1085151502.db2.gz WNRHGJROBDJRLU-UHFFFAOYSA-N 2 1 373.585 4.253 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1)C(C)C ZINC000511855271 1085151506 /nfs/dbraw/zinc/15/15/06/1085151506.db2.gz WNRHGJROBDJRLU-UHFFFAOYSA-N 2 1 373.585 4.253 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1)C(C)C ZINC000511855271 1085151511 /nfs/dbraw/zinc/15/15/11/1085151511.db2.gz WNRHGJROBDJRLU-UHFFFAOYSA-N 2 1 373.585 4.253 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCc5cccnc54)[C@@H]3C2)cc1 ZINC000684960963 1085324724 /nfs/dbraw/zinc/32/47/24/1085324724.db2.gz DOCPKJVLMMAVQK-BJESRGMDSA-N 2 1 361.533 4.349 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCCc5cccnc54)[C@H]3C2)cc1 ZINC000684960972 1085325172 /nfs/dbraw/zinc/32/51/72/1085325172.db2.gz DOCPKJVLMMAVQK-MLCQCVOFSA-N 2 1 361.533 4.349 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3noc4ccccc34)CC23CC3)cc1 ZINC000657534127 1085439072 /nfs/dbraw/zinc/43/90/72/1085439072.db2.gz SDXYUSCBFCIYBQ-IBGZPJMESA-N 2 1 361.489 4.157 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3noc4ccccc34)CC23CC3)cc1 ZINC000657534127 1085439078 /nfs/dbraw/zinc/43/90/78/1085439078.db2.gz SDXYUSCBFCIYBQ-IBGZPJMESA-N 2 1 361.489 4.157 20 0 FIADMP c1c2cnccc2oc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000651759931 1085457061 /nfs/dbraw/zinc/45/70/61/1085457061.db2.gz IHKGIHTWIQZYEE-BWAGFHJFSA-N 2 1 361.489 4.218 20 0 FIADMP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(OC)c1 ZINC000661471490 1085594894 /nfs/dbraw/zinc/59/48/94/1085594894.db2.gz XAFJTCSKJVMQNH-QHCPKHFHSA-N 2 1 368.521 4.158 20 0 FIADMP Oc1cc(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000473132637 1085732212 /nfs/dbraw/zinc/73/22/12/1085732212.db2.gz MWYZUTWOQSDOKC-UHFFFAOYSA-N 2 1 354.469 4.019 20 0 FIADMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248445610 1086169068 /nfs/dbraw/zinc/16/90/68/1086169068.db2.gz MPUBUMZAWUXVLA-GOTSBHOMSA-N 2 1 352.522 4.274 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C/c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174400 1086351104 /nfs/dbraw/zinc/35/11/04/1086351104.db2.gz AWZXJHNAOQRLAK-DEYMUQAISA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174400 1086351117 /nfs/dbraw/zinc/35/11/17/1086351117.db2.gz AWZXJHNAOQRLAK-DEYMUQAISA-N 2 1 352.469 4.353 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C/c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174400 1086351128 /nfs/dbraw/zinc/35/11/28/1086351128.db2.gz AWZXJHNAOQRLAK-DEYMUQAISA-N 2 1 352.469 4.353 20 0 FIADMP Cc1cccc(C[N@@H+](Cc2ccccn2)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662261779 1086380604 /nfs/dbraw/zinc/38/06/04/1086380604.db2.gz NUZQXDIJCGUEDR-UHFFFAOYSA-N 2 1 357.501 4.238 20 0 FIADMP Fc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662293836 1086398603 /nfs/dbraw/zinc/39/86/03/1086398603.db2.gz OLPNKEVRBQBSRE-MRXNPFEDSA-N 2 1 359.514 4.161 20 0 FIADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c(F)cn1 ZINC000583254400 1086478596 /nfs/dbraw/zinc/47/85/96/1086478596.db2.gz GYXAHJJRJSJNBB-KRWDZBQOSA-N 2 1 371.500 4.312 20 0 FIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000583292639 1086534096 /nfs/dbraw/zinc/53/40/96/1086534096.db2.gz UUTPPPVGTGZWEP-ZFWWWQNUSA-N 2 1 356.432 4.154 20 0 FIADMP C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000583292639 1086534102 /nfs/dbraw/zinc/53/41/02/1086534102.db2.gz UUTPPPVGTGZWEP-ZFWWWQNUSA-N 2 1 356.432 4.154 20 0 FIADMP Brc1cc2c(s1)CC[C@@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463669 1086563993 /nfs/dbraw/zinc/56/39/93/1086563993.db2.gz AXVDYNMNLZBECC-HIFRSBDPSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463669 1086564002 /nfs/dbraw/zinc/56/40/02/1086564002.db2.gz AXVDYNMNLZBECC-HIFRSBDPSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463669 1086564012 /nfs/dbraw/zinc/56/40/12/1086564012.db2.gz AXVDYNMNLZBECC-HIFRSBDPSA-N 2 1 369.372 4.210 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)sc1Br ZINC000511997349 1086622505 /nfs/dbraw/zinc/62/25/05/1086622505.db2.gz RWMRCEIQAKYSJZ-GFCCVEGCSA-N 2 1 356.333 4.455 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348009 1086645498 /nfs/dbraw/zinc/64/54/98/1086645498.db2.gz POILDFGTXYENFY-MRXNPFEDSA-N 2 1 362.514 4.145 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348009 1086645501 /nfs/dbraw/zinc/64/55/01/1086645501.db2.gz POILDFGTXYENFY-MRXNPFEDSA-N 2 1 362.514 4.145 20 0 FIADMP CCOC(=O)C1([N@H+](Cc2ccccc2)[C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835023 1086693252 /nfs/dbraw/zinc/69/32/52/1086693252.db2.gz ONIKTQFJJFGTTC-LJQANCHMSA-N 2 1 360.542 4.095 20 0 FIADMP CCOC(=O)C1([N@@H+](Cc2ccccc2)[C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835023 1086693258 /nfs/dbraw/zinc/69/32/58/1086693258.db2.gz ONIKTQFJJFGTTC-LJQANCHMSA-N 2 1 360.542 4.095 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000583456811 1086700894 /nfs/dbraw/zinc/70/08/94/1086700894.db2.gz ZWMQYRXFGQDGHF-HTUFRPJOSA-N 2 1 368.565 4.224 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001167835589 1086705555 /nfs/dbraw/zinc/70/55/55/1086705555.db2.gz RRRKYDVKVODTSI-QTJGBDASSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001167835589 1086705566 /nfs/dbraw/zinc/70/55/66/1086705566.db2.gz RRRKYDVKVODTSI-QTJGBDASSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001167835589 1086705571 /nfs/dbraw/zinc/70/55/71/1086705571.db2.gz RRRKYDVKVODTSI-QTJGBDASSA-N 3 1 371.613 4.341 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001167836740 1086708770 /nfs/dbraw/zinc/70/87/70/1086708770.db2.gz GMYFCUXMYXEKTP-FQEVSTJZSA-N 3 1 357.586 4.020 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001167836740 1086708775 /nfs/dbraw/zinc/70/87/75/1086708775.db2.gz GMYFCUXMYXEKTP-FQEVSTJZSA-N 3 1 357.586 4.020 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001167838253 1086712098 /nfs/dbraw/zinc/71/20/98/1086712098.db2.gz SNJPBYITHWHYDQ-YLJYHZDGSA-N 2 1 352.950 4.398 20 0 FIADMP CC(C)COc1ccc(C(C)(C)NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000512053079 1086715371 /nfs/dbraw/zinc/71/53/71/1086715371.db2.gz OLFKPQCQJMTVCU-UHFFFAOYSA-N 2 1 361.555 4.264 20 0 FIADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)sc1Br ZINC000512055519 1086717345 /nfs/dbraw/zinc/71/73/45/1086717345.db2.gz DDECMDSVPVCERL-JQWIXIFHSA-N 2 1 356.333 4.311 20 0 FIADMP COc1cccc2c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059313 1086717507 /nfs/dbraw/zinc/71/75/07/1086717507.db2.gz YPEZMNCPXPQBSV-APWZRJJASA-N 2 1 351.494 4.005 20 0 FIADMP COc1cccc2c(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc(C)[nH+]c12 ZINC000448059313 1086717511 /nfs/dbraw/zinc/71/75/11/1086717511.db2.gz YPEZMNCPXPQBSV-APWZRJJASA-N 2 1 351.494 4.005 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001167841613 1086738238 /nfs/dbraw/zinc/73/82/38/1086738238.db2.gz NCHWNZDSRYBIRU-GUDVDZBRSA-N 2 1 369.594 4.265 20 0 FIADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432420746 1086742977 /nfs/dbraw/zinc/74/29/77/1086742977.db2.gz MDAQZADSVRHOHJ-IAGOWNOFSA-N 2 1 372.475 4.117 20 0 FIADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432420746 1086742982 /nfs/dbraw/zinc/74/29/82/1086742982.db2.gz MDAQZADSVRHOHJ-IAGOWNOFSA-N 2 1 372.475 4.117 20 0 FIADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423595 1086750137 /nfs/dbraw/zinc/75/01/37/1086750137.db2.gz KWMJPWKXLJICDN-CTNGQTDRSA-N 2 1 372.578 4.431 20 0 FIADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423595 1086750140 /nfs/dbraw/zinc/75/01/40/1086750140.db2.gz KWMJPWKXLJICDN-CTNGQTDRSA-N 2 1 372.578 4.431 20 0 FIADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423597 1086750343 /nfs/dbraw/zinc/75/03/43/1086750343.db2.gz KWMJPWKXLJICDN-PZJWPPBQSA-N 2 1 372.578 4.431 20 0 FIADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423597 1086750353 /nfs/dbraw/zinc/75/03/53/1086750353.db2.gz KWMJPWKXLJICDN-PZJWPPBQSA-N 2 1 372.578 4.431 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)C1 ZINC000650706382 1086755376 /nfs/dbraw/zinc/75/53/76/1086755376.db2.gz JOZAIIWBBDWPOF-QFUCXCTJSA-N 2 1 356.535 4.133 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428660 1086756248 /nfs/dbraw/zinc/75/62/48/1086756248.db2.gz MNJGTESTKRWADS-FZKQIMNGSA-N 2 1 357.325 4.071 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CCCO1 ZINC000432428660 1086756258 /nfs/dbraw/zinc/75/62/58/1086756258.db2.gz MNJGTESTKRWADS-FZKQIMNGSA-N 2 1 357.325 4.071 20 0 FIADMP CCOC1CC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000549626054 1086756529 /nfs/dbraw/zinc/75/65/29/1086756529.db2.gz QVOJYYHOLUBJDV-VFVPAJFXSA-N 2 1 362.945 4.411 20 0 FIADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cnn1-c1cc(C)ccc1C ZINC000650753160 1086954181 /nfs/dbraw/zinc/95/41/81/1086954181.db2.gz HZSHIXWYQQSRRN-INIZCTEOSA-N 2 1 366.484 4.246 20 0 FIADMP CCOc1ccccc1CN(CCCn1ccnc1)Cc1ccncc1C ZINC000583792917 1086964507 /nfs/dbraw/zinc/96/45/07/1086964507.db2.gz YBSOOCPCPBKRTJ-UHFFFAOYSA-N 2 1 364.493 4.078 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530300 1087003954 /nfs/dbraw/zinc/00/39/54/1087003954.db2.gz YXTPBOMLLLCARD-WBILKINKSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530300 1087003957 /nfs/dbraw/zinc/00/39/57/1087003957.db2.gz YXTPBOMLLLCARD-WBILKINKSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530300 1087003964 /nfs/dbraw/zinc/00/39/64/1087003964.db2.gz YXTPBOMLLLCARD-WBILKINKSA-N 2 1 352.469 4.355 20 0 FIADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC000564530300 1087003973 /nfs/dbraw/zinc/00/39/73/1087003973.db2.gz YXTPBOMLLLCARD-WBILKINKSA-N 2 1 352.469 4.355 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)C1 ZINC000583969158 1087069530 /nfs/dbraw/zinc/06/95/30/1087069530.db2.gz NPYPBFSYYFKWGG-BVVFMGSASA-N 2 1 356.554 4.500 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)cc2cc1OC ZINC000657829493 1087177762 /nfs/dbraw/zinc/17/77/62/1087177762.db2.gz DBCGIHFHIKXTCJ-OAHLLOKOSA-N 2 1 354.494 4.134 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657843452 1087285914 /nfs/dbraw/zinc/28/59/14/1087285914.db2.gz FOTPKQTVOHRFSB-NSHDSACASA-N 2 1 356.695 4.348 20 0 FIADMP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000584378425 1087313332 /nfs/dbraw/zinc/31/33/32/1087313332.db2.gz JKEMZOMKHQTEEX-UNMCSNQZSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000584378425 1087313339 /nfs/dbraw/zinc/31/33/39/1087313339.db2.gz JKEMZOMKHQTEEX-UNMCSNQZSA-N 2 1 350.506 4.278 20 0 FIADMP COc1ccccc1-c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000584378425 1087313341 /nfs/dbraw/zinc/31/33/41/1087313341.db2.gz JKEMZOMKHQTEEX-UNMCSNQZSA-N 2 1 350.506 4.278 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C(C)(C)C(F)F)CC2)cs1 ZINC000657880668 1087522849 /nfs/dbraw/zinc/52/28/49/1087522849.db2.gz QYYWPVWVPFDERA-ZDUSSCGKSA-N 2 1 359.530 4.187 20 0 FIADMP C[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685425674 1087565315 /nfs/dbraw/zinc/56/53/15/1087565315.db2.gz UWVSWOSKRAWNSB-FBBABVLZSA-N 2 1 354.542 4.008 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443044 1087569817 /nfs/dbraw/zinc/56/98/17/1087569817.db2.gz KWSBCEFGQQDQGA-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443044 1087569820 /nfs/dbraw/zinc/56/98/20/1087569820.db2.gz KWSBCEFGQQDQGA-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443044 1087569821 /nfs/dbraw/zinc/56/98/21/1087569821.db2.gz KWSBCEFGQQDQGA-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4nccc5ccccc54)C3)C2)cc1 ZINC000685443044 1087569824 /nfs/dbraw/zinc/56/98/24/1087569824.db2.gz KWSBCEFGQQDQGA-XMMPIXPASA-N 2 1 357.501 4.333 20 0 FIADMP C[N@@H+](Cc1cc(-c2ccccc2)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457895 1087573045 /nfs/dbraw/zinc/57/30/45/1087573045.db2.gz RSHSOVGWNIQBJY-OAQYLSRUSA-N 2 1 369.578 4.015 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000685655481 1087659757 /nfs/dbraw/zinc/65/97/57/1087659757.db2.gz RBSSEGSCPUNFKV-TZIWHRDSSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657999161 1087696346 /nfs/dbraw/zinc/69/63/46/1087696346.db2.gz SQUJQOXOMFRQFJ-FUHWJXTLSA-N 2 1 351.519 4.469 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCCC2)cc1 ZINC000658103152 1087721518 /nfs/dbraw/zinc/72/15/18/1087721518.db2.gz HNLNKAANZRSHOT-KRWDZBQOSA-N 2 1 361.493 4.027 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2c1 ZINC000658147230 1087739082 /nfs/dbraw/zinc/73/90/82/1087739082.db2.gz XJPLDLDNVGOSLW-UUOWRZLLSA-N 2 1 360.501 4.257 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](CC3CCC3)c3ccccc3)cc2)C1 ZINC000658136279 1087742737 /nfs/dbraw/zinc/74/27/37/1087742737.db2.gz GMMGYRRLRAIDNE-RPWUZVMVSA-N 2 1 364.533 4.274 20 0 FIADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3c4ccccc4-c4ccccc43)cc2)C1 ZINC000658138384 1087743508 /nfs/dbraw/zinc/74/35/08/1087743508.db2.gz MRFJWKSSRJURMO-FQEVSTJZSA-N 2 1 370.496 4.113 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2ccccc2s1 ZINC000658139962 1087745799 /nfs/dbraw/zinc/74/57/99/1087745799.db2.gz RLAYZEHHEBWTTM-OXJNMPFZSA-N 2 1 366.530 4.319 20 0 FIADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424260732 1087879355 /nfs/dbraw/zinc/87/93/55/1087879355.db2.gz DLEQASDLDJUYKF-PHNZBSFLSA-N 2 1 356.554 4.354 20 0 FIADMP Cc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000424285563 1087897384 /nfs/dbraw/zinc/89/73/84/1087897384.db2.gz FUIZDTCXDUUAPU-CQSZACIVSA-N 2 1 359.901 4.267 20 0 FIADMP [NH3+]C[C@@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275451 1087908651 /nfs/dbraw/zinc/90/86/51/1087908651.db2.gz AXHFDOORZYGGJP-YJBOKZPZSA-N 2 1 355.482 4.315 20 0 FIADMP [NH3+]C[C@@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000424275451 1087908659 /nfs/dbraw/zinc/90/86/59/1087908659.db2.gz AXHFDOORZYGGJP-YJBOKZPZSA-N 2 1 355.482 4.315 20 0 FIADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000423385592 1088184447 /nfs/dbraw/zinc/18/44/47/1088184447.db2.gz GRUWOCIHMFERQW-VXNXHJTFSA-N 2 1 359.517 4.265 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000311258132 1088473478 /nfs/dbraw/zinc/47/34/78/1088473478.db2.gz MMPRNPYEFMUDGF-XWSJACJDSA-N 2 1 367.578 4.017 20 0 FIADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000311258132 1088473486 /nfs/dbraw/zinc/47/34/86/1088473486.db2.gz MMPRNPYEFMUDGF-XWSJACJDSA-N 2 1 367.578 4.017 20 0 FIADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000782952162 1088729501 /nfs/dbraw/zinc/72/95/01/1088729501.db2.gz JTFNPTKJCVYTIR-UHFFFAOYSA-N 2 1 368.521 4.122 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000514090565 1088735674 /nfs/dbraw/zinc/73/56/74/1088735674.db2.gz VLBBGXOMWHMGAV-HJOGWXRNSA-N 2 1 364.533 4.366 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)CCCC2)CC1 ZINC000468555016 1089000511 /nfs/dbraw/zinc/00/05/11/1089000511.db2.gz PFVHFWZVCMJTBG-FGZHOGPDSA-N 2 1 356.554 4.336 20 0 FIADMP [NH3+]CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000415055885 1089101130 /nfs/dbraw/zinc/10/11/30/1089101130.db2.gz PFLOXMMJLDLOSJ-UCBGAZFYSA-N 3 1 363.549 4.252 20 0 FIADMP [NH3+]CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000415055885 1089101137 /nfs/dbraw/zinc/10/11/37/1089101137.db2.gz PFLOXMMJLDLOSJ-UCBGAZFYSA-N 2 1 363.549 4.252 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Oc1cccnc1 ZINC000415055563 1089101811 /nfs/dbraw/zinc/10/18/11/1089101811.db2.gz RGEATKAOHIKKAO-CTNGQTDRSA-N 2 1 351.494 4.146 20 0 FIADMP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415074782 1089127227 /nfs/dbraw/zinc/12/72/27/1089127227.db2.gz ATOOSAASZFOYBH-PKOBYXMFSA-N 2 1 364.411 4.211 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415076842 1089128908 /nfs/dbraw/zinc/12/89/08/1089128908.db2.gz BNTGNTTZAZDAMJ-MJGOQNOKSA-N 2 1 369.509 4.283 20 0 FIADMP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415076840 1089129191 /nfs/dbraw/zinc/12/91/91/1089129191.db2.gz BNTGNTTZAZDAMJ-IEBWSBKVSA-N 2 1 369.509 4.283 20 0 FIADMP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415093549 1089158013 /nfs/dbraw/zinc/15/80/13/1089158013.db2.gz VQZAIBHIQZDOMP-NOOVBMIQSA-N 2 1 358.913 4.499 20 0 FIADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415110379 1089171780 /nfs/dbraw/zinc/17/17/80/1089171780.db2.gz SQDNKQIMKPUDBS-FKBYEOEOSA-N 2 1 366.505 4.152 20 0 FIADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000549236935 1089311096 /nfs/dbraw/zinc/31/10/96/1089311096.db2.gz IQBLJMBOHYODJC-JTPPEQCGSA-N 2 1 356.554 4.080 20 0 FIADMP C[C@H](CC[NH2+]Cc1ccccc1-c1ccnn1C)[N@@H+](C)Cc1ccccc1 ZINC000511523971 1089396569 /nfs/dbraw/zinc/39/65/69/1089396569.db2.gz PYTGEKUEAIKOFV-LJQANCHMSA-N 2 1 362.521 4.087 20 0 FIADMP Cc1ncc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000549270379 1089510428 /nfs/dbraw/zinc/51/04/28/1089510428.db2.gz WECDZKVUGSGTJU-KRIYCRJKSA-N 2 1 370.928 4.142 20 0 FIADMP c1sc2ccccc2c1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435386313 1089591645 /nfs/dbraw/zinc/59/16/45/1089591645.db2.gz UGQQCARPEBAXHZ-IBGZPJMESA-N 2 1 351.519 4.441 20 0 FIADMP c1sc2ccccc2c1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435386313 1089591656 /nfs/dbraw/zinc/59/16/56/1089591656.db2.gz UGQQCARPEBAXHZ-IBGZPJMESA-N 2 1 351.519 4.441 20 0 FIADMP CC(C)c1ncc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435423647 1089639754 /nfs/dbraw/zinc/63/97/54/1089639754.db2.gz VENAXQRXKVBOGQ-QGZVFWFLSA-N 2 1 361.580 4.472 20 0 FIADMP CC(C)c1ncc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435423647 1089639778 /nfs/dbraw/zinc/63/97/78/1089639778.db2.gz VENAXQRXKVBOGQ-QGZVFWFLSA-N 2 1 361.580 4.472 20 0 FIADMP C[C@@H](CC1CCOCC1)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435424759 1089640191 /nfs/dbraw/zinc/64/01/91/1089640191.db2.gz ALLWPVVKIBTRRC-PXNSSMCTSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@H+](Cc2ccc3ccccc3c2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435430278 1089648004 /nfs/dbraw/zinc/64/80/04/1089648004.db2.gz ZXTJRUYNBMXWKT-FQEVSTJZSA-N 2 1 363.530 4.441 20 0 FIADMP c1csc(C[N@@H+](Cc2ccc3ccccc3c2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435430278 1089648011 /nfs/dbraw/zinc/64/80/11/1089648011.db2.gz ZXTJRUYNBMXWKT-FQEVSTJZSA-N 2 1 363.530 4.441 20 0 FIADMP CC(C)c1nnc(CNCc2ccccc2CN(C)Cc2ccco2)s1 ZINC000893019321 1089675088 /nfs/dbraw/zinc/67/50/88/1089675088.db2.gz RAZUNTWITMIFGI-UHFFFAOYSA-N 2 1 370.522 4.176 20 0 FIADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000893094549 1089860761 /nfs/dbraw/zinc/86/07/61/1089860761.db2.gz LOZBTCRZANKGIH-ZIAGYGMSSA-N 2 1 353.532 4.058 20 0 FIADMP C[NH+](C)Cc1cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)ccc1Cl ZINC000416225028 1090263820 /nfs/dbraw/zinc/26/38/20/1090263820.db2.gz KFOQMKITXDKEKQ-IBGZPJMESA-N 2 1 359.901 4.033 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549424258 1090320806 /nfs/dbraw/zinc/32/08/06/1090320806.db2.gz CTBPIHLAENDYLQ-KRWDZBQOSA-N 2 1 364.415 4.130 20 0 FIADMP COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccn2)cc1C[NH+]1CCCCC1 ZINC000182194538 1090335293 /nfs/dbraw/zinc/33/52/93/1090335293.db2.gz KQOGCUIAOHBVTL-QZTJIDSGSA-N 2 1 353.510 4.488 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366506 1090625841 /nfs/dbraw/zinc/62/58/41/1090625841.db2.gz AJEKEVHFDFVFEF-TZIWHRDSSA-N 2 1 360.505 4.045 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366506 1090625844 /nfs/dbraw/zinc/62/58/44/1090625844.db2.gz AJEKEVHFDFVFEF-TZIWHRDSSA-N 2 1 360.505 4.045 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000584794814 1090896473 /nfs/dbraw/zinc/89/64/73/1090896473.db2.gz QEPLIQCEDQZXFX-ACRUOGEOSA-N 2 1 358.913 4.189 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000584794814 1090896482 /nfs/dbraw/zinc/89/64/82/1090896482.db2.gz QEPLIQCEDQZXFX-ACRUOGEOSA-N 2 1 358.913 4.189 20 0 FIADMP Cc1ccncc1CCC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584871324 1090962224 /nfs/dbraw/zinc/96/22/24/1090962224.db2.gz SPDCCLGFZGTDSX-JOCHJYFZSA-N 2 1 351.538 4.215 20 0 FIADMP O[C@H](CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000312570829 1090976305 /nfs/dbraw/zinc/97/63/05/1090976305.db2.gz UUDPJUKYLCANCZ-HSZRJFAPSA-N 2 1 364.533 4.098 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000500086388 1091032084 /nfs/dbraw/zinc/03/20/84/1091032084.db2.gz DIMRNMCZZCWKEW-SFHVURJKSA-N 2 1 363.977 4.282 20 0 FIADMP C[C@@H]1C[C@H](NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000390519711 1091162909 /nfs/dbraw/zinc/16/29/09/1091162909.db2.gz FSMVHZYGHNLXAZ-ZJSXRUAMSA-N 2 1 365.565 4.151 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000709484821 1091377522 /nfs/dbraw/zinc/37/75/22/1091377522.db2.gz POAGVFPTHCEFJD-UHFFFAOYSA-N 2 1 361.530 4.244 20 0 FIADMP COc1cccc2cc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000311397297 1091425528 /nfs/dbraw/zinc/42/55/28/1091425528.db2.gz PUJZMBIGJKBDJC-GOSISDBHSA-N 2 1 350.462 4.053 20 0 FIADMP COc1cccc2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000311397297 1091425544 /nfs/dbraw/zinc/42/55/44/1091425544.db2.gz PUJZMBIGJKBDJC-GOSISDBHSA-N 2 1 350.462 4.053 20 0 FIADMP COCC[N@@H+](C)CC[C@@H](Nc1cc[nH+]c2cc(F)ccc12)c1ccccc1 ZINC000500408398 1091458234 /nfs/dbraw/zinc/45/82/34/1091458234.db2.gz KMZSXCATGINEIH-HXUWFJFHSA-N 2 1 367.468 4.495 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 ZINC000512215148 1091915622 /nfs/dbraw/zinc/91/56/22/1091915622.db2.gz VLYURKBVOBYDQF-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215148 1091915625 /nfs/dbraw/zinc/91/56/25/1091915625.db2.gz VLYURKBVOBYDQF-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215148 1091915630 /nfs/dbraw/zinc/91/56/30/1091915630.db2.gz VLYURKBVOBYDQF-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215148 1091915633 /nfs/dbraw/zinc/91/56/33/1091915633.db2.gz VLYURKBVOBYDQF-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000512215148 1091915638 /nfs/dbraw/zinc/91/56/38/1091915638.db2.gz VLYURKBVOBYDQF-ROUUACIJSA-N 2 1 355.501 4.460 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246641 1091960217 /nfs/dbraw/zinc/96/02/17/1091960217.db2.gz XBBKDMRHQUTOHS-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246641 1091960219 /nfs/dbraw/zinc/96/02/19/1091960219.db2.gz XBBKDMRHQUTOHS-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246641 1091960221 /nfs/dbraw/zinc/96/02/21/1091960221.db2.gz XBBKDMRHQUTOHS-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cnc5ccccc5c4)C3)C2)cc1 ZINC000512246641 1091960222 /nfs/dbraw/zinc/96/02/22/1091960222.db2.gz XBBKDMRHQUTOHS-DEOSSOPVSA-N 2 1 357.501 4.333 20 0 FIADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)c(OC)c1 ZINC000512314228 1092031638 /nfs/dbraw/zinc/03/16/38/1092031638.db2.gz NNOLVQRNNWGTJD-POAQFYNOSA-N 2 1 360.542 4.398 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1)C1CC1 ZINC000076158105 1092263541 /nfs/dbraw/zinc/26/35/41/1092263541.db2.gz JJILPSHYWGZQOX-UHFFFAOYSA-N 2 1 365.521 4.027 20 0 FIADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCCC2)cc1OC ZINC000246081012 1092325862 /nfs/dbraw/zinc/32/58/62/1092325862.db2.gz BZEZPADFFCQAQH-UXHICEINSA-N 2 1 372.553 4.122 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000236609955 1092402427 /nfs/dbraw/zinc/40/24/27/1092402427.db2.gz CLSQSKMWXGCBBM-CQSZACIVSA-N 2 1 369.336 4.479 20 0 FIADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000236609955 1092402434 /nfs/dbraw/zinc/40/24/34/1092402434.db2.gz CLSQSKMWXGCBBM-CQSZACIVSA-N 2 1 369.336 4.479 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000236609955 1092402438 /nfs/dbraw/zinc/40/24/38/1092402438.db2.gz CLSQSKMWXGCBBM-CQSZACIVSA-N 2 1 369.336 4.479 20 0 FIADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000521041181 1092441990 /nfs/dbraw/zinc/44/19/90/1092441990.db2.gz NNRZPJFWNOAXDA-QFIPXVFZSA-N 2 1 365.521 4.160 20 0 FIADMP CCc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)o2)cc1 ZINC000521083543 1092465272 /nfs/dbraw/zinc/46/52/72/1092465272.db2.gz GJQHHYZBGNPRBS-IEIRFRATSA-N 2 1 368.521 4.193 20 0 FIADMP CCc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)o2)cc1 ZINC000521083543 1092465274 /nfs/dbraw/zinc/46/52/74/1092465274.db2.gz GJQHHYZBGNPRBS-IEIRFRATSA-N 2 1 368.521 4.193 20 0 FIADMP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000442709034 1092734295 /nfs/dbraw/zinc/73/42/95/1092734295.db2.gz MZVAONBPDSRHFM-QGPMSJSTSA-N 2 1 352.444 4.415 20 0 FIADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442878374 1092834202 /nfs/dbraw/zinc/83/42/02/1092834202.db2.gz STOBOLKHNKLYSG-SFHVURJKSA-N 2 1 371.491 4.018 20 0 FIADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1(C)C ZINC000442880700 1092834944 /nfs/dbraw/zinc/83/49/44/1092834944.db2.gz ZHOFOTARKUVBCH-GOSISDBHSA-N 2 1 370.368 4.060 20 0 FIADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000549817994 1092843829 /nfs/dbraw/zinc/84/38/29/1092843829.db2.gz KTUNHNHTOCXRII-BVSLBCMMSA-N 2 1 372.553 4.000 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)[C@H](C)C1 ZINC000474039339 1092845124 /nfs/dbraw/zinc/84/51/24/1092845124.db2.gz SUHTWKDLPUXYCF-VOQZNFBZSA-N 2 1 374.569 4.144 20 0 FIADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000442918938 1092866384 /nfs/dbraw/zinc/86/63/84/1092866384.db2.gz DILBXKMHVWNIAR-CYBMUJFWSA-N 2 1 369.456 4.390 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063951 1092924893 /nfs/dbraw/zinc/92/48/93/1092924893.db2.gz XNRHJLNQETVDAP-MSOLQXFVSA-N 2 1 351.494 4.061 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000521820858 1092938918 /nfs/dbraw/zinc/93/89/18/1092938918.db2.gz JQMAIFWZPDFJHP-IBGZPJMESA-N 2 1 353.510 4.015 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000521820858 1092938921 /nfs/dbraw/zinc/93/89/21/1092938921.db2.gz JQMAIFWZPDFJHP-IBGZPJMESA-N 2 1 353.510 4.015 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000443198541 1092987433 /nfs/dbraw/zinc/98/74/33/1092987433.db2.gz RJPIYBMVUNZNCI-YKWDRNOUSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000443198541 1092987437 /nfs/dbraw/zinc/98/74/37/1092987437.db2.gz RJPIYBMVUNZNCI-YKWDRNOUSA-N 2 1 366.480 4.150 20 0 FIADMP C[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443218578 1092994276 /nfs/dbraw/zinc/99/42/76/1092994276.db2.gz FUEJLIUWRMUSMJ-BBWFWOEESA-N 2 1 354.498 4.266 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000512636276 1093053313 /nfs/dbraw/zinc/05/33/13/1093053313.db2.gz KWGPJIKUDMDHPD-HMXCVIKNSA-N 2 1 369.578 4.138 20 0 FIADMP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512660444 1093096241 /nfs/dbraw/zinc/09/62/41/1093096241.db2.gz NGNBYEBUKUSXJH-BHIFYINESA-N 2 1 358.570 4.066 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000522118216 1093105054 /nfs/dbraw/zinc/10/50/54/1093105054.db2.gz VIZHHOWIJUPUSK-UHFFFAOYSA-N 2 1 358.448 4.136 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CCC(F)(F)CC3)CC2)oc1C ZINC000474047198 1093138426 /nfs/dbraw/zinc/13/84/26/1093138426.db2.gz SUBDPQMSIDQCCW-OAHLLOKOSA-N 2 1 369.500 4.307 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049224 1093143247 /nfs/dbraw/zinc/14/32/47/1093143247.db2.gz WNYVNXBIXOIUJY-SJORKVTESA-N 2 1 366.496 4.211 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1CCC(F)(F)CC1 ZINC000474049224 1093143250 /nfs/dbraw/zinc/14/32/50/1093143250.db2.gz WNYVNXBIXOIUJY-SJORKVTESA-N 2 1 366.496 4.211 20 0 FIADMP COc1cc(F)ccc1CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168017617 1093155096 /nfs/dbraw/zinc/15/50/96/1093155096.db2.gz BIMWQAHALBRKIX-UPHUGPLXSA-N 2 1 356.485 4.366 20 0 FIADMP CCCc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000433051070 1093159288 /nfs/dbraw/zinc/15/92/88/1093159288.db2.gz FVYQJVRNVUDREH-UHFFFAOYSA-N 2 1 367.537 4.424 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000433095609 1093248952 /nfs/dbraw/zinc/24/89/52/1093248952.db2.gz DVVIMTSNBBKDEK-CYBMUJFWSA-N 2 1 368.855 4.409 20 0 FIADMP c1csc(-c2cc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)no2)c1 ZINC000443600697 1093315742 /nfs/dbraw/zinc/31/57/42/1093315742.db2.gz MACHOSPSXYUBEZ-UHFFFAOYSA-N 2 1 359.539 4.491 20 0 FIADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000443646760 1093387157 /nfs/dbraw/zinc/38/71/57/1093387157.db2.gz WSEBJRDWUGSVEN-NZQKXSOJSA-N 2 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646760 1093387166 /nfs/dbraw/zinc/38/71/66/1093387166.db2.gz WSEBJRDWUGSVEN-NZQKXSOJSA-N 3 1 361.618 4.107 20 0 FIADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000443646760 1093387177 /nfs/dbraw/zinc/38/71/77/1093387177.db2.gz WSEBJRDWUGSVEN-NZQKXSOJSA-N 3 1 361.618 4.107 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c(F)c1 ZINC001168024446 1093392049 /nfs/dbraw/zinc/39/20/49/1093392049.db2.gz GQWWVVRELIYIFP-RMFSNUHRSA-N 2 1 370.512 4.408 20 0 FIADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000389160268 1093479040 /nfs/dbraw/zinc/47/90/40/1093479040.db2.gz YNNLUGBLTUQPNA-GOTSBHOMSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000389160268 1093479051 /nfs/dbraw/zinc/47/90/51/1093479051.db2.gz YNNLUGBLTUQPNA-GOTSBHOMSA-N 2 1 356.554 4.037 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCCCC4CCOCC4)C[C@H]3C2)cc1 ZINC000389160268 1093479060 /nfs/dbraw/zinc/47/90/60/1093479060.db2.gz YNNLUGBLTUQPNA-GOTSBHOMSA-N 2 1 356.554 4.037 20 0 FIADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2cccnc2Cl)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028556 1093537679 /nfs/dbraw/zinc/53/76/79/1093537679.db2.gz PHCRNWGKBSGWQS-SCAQPMJSSA-N 2 1 356.901 4.092 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C[N@H+]1Cc1ccccc1 ZINC000433310823 1093564915 /nfs/dbraw/zinc/56/49/15/1093564915.db2.gz JRLAMZDTQVPBMZ-PKOBYXMFSA-N 2 1 364.493 4.060 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331144 1093590980 /nfs/dbraw/zinc/59/09/80/1093590980.db2.gz LMESWTFVNBKAEJ-QGZVFWFLSA-N 2 1 364.493 4.334 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331144 1093590984 /nfs/dbraw/zinc/59/09/84/1093590984.db2.gz LMESWTFVNBKAEJ-QGZVFWFLSA-N 2 1 364.493 4.334 20 0 FIADMP C[C@H]1CC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032307 1093652426 /nfs/dbraw/zinc/65/24/26/1093652426.db2.gz HLWKHISNHNHDLT-JAXLGGSGSA-N 2 1 369.597 4.425 20 0 FIADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(CC3CC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032592 1093667015 /nfs/dbraw/zinc/66/70/15/1093667015.db2.gz IEZNBJONXZAFSD-HATOLVCRSA-N 3 1 355.570 4.021 20 0 FIADMP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168033361 1093713636 /nfs/dbraw/zinc/71/36/36/1093713636.db2.gz KQRIPTMDPSTZTB-RUMRUAAYSA-N 3 1 371.613 4.386 20 0 FIADMP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168033361 1093713642 /nfs/dbraw/zinc/71/36/42/1093713642.db2.gz KQRIPTMDPSTZTB-RUMRUAAYSA-N 2 1 371.613 4.386 20 0 FIADMP CC(C)C[NH+]1CCC(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168033359 1093713667 /nfs/dbraw/zinc/71/36/67/1093713667.db2.gz KQRIPTMDPSTZTB-NHCUHLMSSA-N 2 1 371.613 4.386 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513063789 1093715336 /nfs/dbraw/zinc/71/53/36/1093715336.db2.gz IPMSNMKPHANNDL-DYESRHJHSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000513063789 1093715343 /nfs/dbraw/zinc/71/53/43/1093715343.db2.gz IPMSNMKPHANNDL-DYESRHJHSA-N 2 1 365.496 4.492 20 0 FIADMP COc1cc([C@H](C)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC001168033867 1093733524 /nfs/dbraw/zinc/73/35/24/1093733524.db2.gz MNTPWXOYTQTWQF-KURKYZTESA-N 2 1 353.510 4.182 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000052209284 1093768515 /nfs/dbraw/zinc/76/85/15/1093768515.db2.gz GNQWYPQZPJBRKY-UHFFFAOYSA-N 2 1 371.525 4.294 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C1 ZINC000614387822 1093805611 /nfs/dbraw/zinc/80/56/11/1093805611.db2.gz OFZWMLFIDZHWGG-KDURUIRLSA-N 2 1 374.532 4.398 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1C(F)(F)F ZINC000246541126 1094000933 /nfs/dbraw/zinc/00/09/33/1094000933.db2.gz VXFXMAJQRIKRGT-OWCLPIDISA-N 2 1 356.432 4.079 20 0 FIADMP c1ccc(C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2cccnc2)nc1 ZINC000513364424 1094081496 /nfs/dbraw/zinc/08/14/96/1094081496.db2.gz HXJGSGOJERZISL-QHCPKHFHSA-N 2 1 364.537 4.147 20 0 FIADMP Cc1cccc2ncc(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)n21 ZINC000513493437 1094160813 /nfs/dbraw/zinc/16/08/13/1094160813.db2.gz ASEIVVIXIFAXBN-PZJWPPBQSA-N 2 1 362.521 4.033 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-n3ccnc3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488019 1094166771 /nfs/dbraw/zinc/16/67/71/1094166771.db2.gz NQCMKJQQMVBESW-REWPJTCUSA-N 2 1 374.532 4.263 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000513502229 1094173857 /nfs/dbraw/zinc/17/38/57/1094173857.db2.gz YGOQPOCPQVIIEX-FPOVZHCZSA-N 2 1 374.532 4.467 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000513502228 1094174090 /nfs/dbraw/zinc/17/40/90/1094174090.db2.gz YGOQPOCPQVIIEX-CTNGQTDRSA-N 2 1 374.532 4.467 20 0 FIADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000513643119 1094259278 /nfs/dbraw/zinc/25/92/78/1094259278.db2.gz NAPKGTRBSQLLQY-UHFFFAOYSA-N 2 1 365.565 4.021 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000513647169 1094262275 /nfs/dbraw/zinc/26/22/75/1094262275.db2.gz FJALOAFRZQYSGW-IBGZPJMESA-N 2 1 354.542 4.207 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000513671982 1094266539 /nfs/dbraw/zinc/26/65/39/1094266539.db2.gz HFINGLZIZDQIDB-UHFFFAOYSA-N 2 1 356.485 4.237 20 0 FIADMP Cc1cccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001168036912 1094326879 /nfs/dbraw/zinc/32/68/79/1094326879.db2.gz XVJJFYKFRUHHAR-VTYHHJSWSA-N 2 1 363.549 4.453 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000513701871 1094390244 /nfs/dbraw/zinc/39/02/44/1094390244.db2.gz ATSBWPIZJUGUDG-UHFFFAOYSA-N 3 1 357.586 4.140 20 0 FIADMP CC(C)CN1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000513701871 1094390254 /nfs/dbraw/zinc/39/02/54/1094390254.db2.gz ATSBWPIZJUGUDG-UHFFFAOYSA-N 2 1 357.586 4.140 20 0 FIADMP CC(C)CN1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000513701871 1094390263 /nfs/dbraw/zinc/39/02/63/1094390263.db2.gz ATSBWPIZJUGUDG-UHFFFAOYSA-N 2 1 357.586 4.140 20 0 FIADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000474623022 1094448866 /nfs/dbraw/zinc/44/88/66/1094448866.db2.gz NRZNKMLOCNIANB-UHFFFAOYSA-N 2 1 370.493 4.122 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+](CC)CC2)cc1OCC ZINC000237018028 1094481291 /nfs/dbraw/zinc/48/12/91/1094481291.db2.gz FMFZTDORYUTXLA-UHFFFAOYSA-N 2 1 354.922 4.101 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041569 1094578535 /nfs/dbraw/zinc/57/85/35/1094578535.db2.gz TVKJWCBONPEYNY-XHOKPMKBSA-N 3 1 357.586 4.138 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168041569 1094578556 /nfs/dbraw/zinc/57/85/56/1094578556.db2.gz TVKJWCBONPEYNY-XHOKPMKBSA-N 2 1 357.586 4.138 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000474814087 1094659164 /nfs/dbraw/zinc/65/91/64/1094659164.db2.gz XQZOOBRPGRLUSW-MBOZVWFJSA-N 2 1 360.542 4.050 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000474814087 1094659172 /nfs/dbraw/zinc/65/91/72/1094659172.db2.gz XQZOOBRPGRLUSW-MBOZVWFJSA-N 2 1 360.542 4.050 20 0 FIADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000474815328 1094661126 /nfs/dbraw/zinc/66/11/26/1094661126.db2.gz FHJAKBYWFABVLU-UNMCSNQZSA-N 2 1 356.510 4.206 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297689 1094855148 /nfs/dbraw/zinc/85/51/48/1094855148.db2.gz ZDJDWUXSHUPAHA-SGXKBVARSA-N 2 1 361.489 4.151 20 0 FIADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420297689 1094855157 /nfs/dbraw/zinc/85/51/57/1094855157.db2.gz ZDJDWUXSHUPAHA-SGXKBVARSA-N 2 1 361.489 4.151 20 0 FIADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000420300925 1094870775 /nfs/dbraw/zinc/87/07/75/1094870775.db2.gz ICMABOXKBOLKMY-KRWDZBQOSA-N 2 1 366.534 4.032 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccc(F)cc21 ZINC000420306027 1094873549 /nfs/dbraw/zinc/87/35/49/1094873549.db2.gz HFGNFGVTGCKNEY-KXBFYZLASA-N 2 1 359.514 4.080 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccc(F)cc21 ZINC000420306027 1094873560 /nfs/dbraw/zinc/87/35/60/1094873560.db2.gz HFGNFGVTGCKNEY-KXBFYZLASA-N 2 1 359.514 4.080 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420321415 1094880671 /nfs/dbraw/zinc/88/06/71/1094880671.db2.gz RFVRABUNELJADC-RBUKOAKNSA-N 2 1 354.542 4.186 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420390973 1094909692 /nfs/dbraw/zinc/90/96/92/1094909692.db2.gz IEAXLRAAIHNERE-FXAWDEMLSA-N 2 1 370.928 4.069 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000474923313 1094923316 /nfs/dbraw/zinc/92/33/16/1094923316.db2.gz GABBJTKOLCPADY-AJYBTWMASA-N 2 1 374.569 4.438 20 0 FIADMP CCOC(=O)CC1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168045049 1095023982 /nfs/dbraw/zinc/02/39/82/1095023982.db2.gz ILSCDGHXGMHMFW-HATOLVCRSA-N 2 1 372.553 4.093 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000501982845 1095034937 /nfs/dbraw/zinc/03/49/37/1095034937.db2.gz VYRUBZVJKBXKCM-WXFUMESZSA-N 2 1 369.597 4.061 20 0 FIADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551455 1095134022 /nfs/dbraw/zinc/13/40/22/1095134022.db2.gz JBOGHZBVTSFAQJ-CTNGQTDRSA-N 2 1 351.538 4.003 20 0 FIADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551458 1095135522 /nfs/dbraw/zinc/13/55/22/1095135522.db2.gz JBOGHZBVTSFAQJ-TZIWHRDSSA-N 2 1 351.538 4.003 20 0 FIADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551463 1095135748 /nfs/dbraw/zinc/13/57/48/1095135748.db2.gz JMFPAPRULWVHFO-SIKLNZKXSA-N 2 1 357.586 4.147 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935633 1095175061 /nfs/dbraw/zinc/17/50/61/1095175061.db2.gz MIIVLIYZVNFUSL-TYCQWZJGSA-N 2 1 358.913 4.177 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)c2ccccc12 ZINC000420935633 1095175066 /nfs/dbraw/zinc/17/50/66/1095175066.db2.gz MIIVLIYZVNFUSL-TYCQWZJGSA-N 2 1 358.913 4.177 20 0 FIADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000420959945 1095200448 /nfs/dbraw/zinc/20/04/48/1095200448.db2.gz FWHJGGXHRKHJNE-MOPGFXCFSA-N 2 1 370.459 4.072 20 0 FIADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000420959945 1095200459 /nfs/dbraw/zinc/20/04/59/1095200459.db2.gz FWHJGGXHRKHJNE-MOPGFXCFSA-N 2 1 370.459 4.072 20 0 FIADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000421033240 1095246482 /nfs/dbraw/zinc/24/64/82/1095246482.db2.gz AITFXPNJMRIBJH-FQEVSTJZSA-N 2 1 372.557 4.009 20 0 FIADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000421033240 1095246495 /nfs/dbraw/zinc/24/64/95/1095246495.db2.gz AITFXPNJMRIBJH-FQEVSTJZSA-N 2 1 372.557 4.009 20 0 FIADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000421033240 1095246505 /nfs/dbraw/zinc/24/65/05/1095246505.db2.gz AITFXPNJMRIBJH-FQEVSTJZSA-N 2 1 372.557 4.009 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000502277582 1095298117 /nfs/dbraw/zinc/29/81/17/1095298117.db2.gz BIPWEYMVFHKNQH-DENIHFKCSA-N 2 1 356.554 4.500 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)c1 ZINC000502285432 1095310435 /nfs/dbraw/zinc/31/04/35/1095310435.db2.gz TZBIXBSUEDQDPF-GOSISDBHSA-N 2 1 370.537 4.185 20 0 FIADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000502411458 1095435840 /nfs/dbraw/zinc/43/58/40/1095435840.db2.gz ARZRCCFKBGUYFD-HJNYFJLDSA-N 2 1 356.554 4.226 20 0 FIADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cnn(C4CCCC4)c3)CC2)[nH+]c1 ZINC000502425106 1095463427 /nfs/dbraw/zinc/46/34/27/1095463427.db2.gz BPXSXRWIVUVPSN-KRWDZBQOSA-N 2 1 353.514 4.021 20 0 FIADMP Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000421834497 1095946097 /nfs/dbraw/zinc/94/60/97/1095946097.db2.gz OWEQXVVINSXQKZ-OAHLLOKOSA-N 2 1 361.892 4.372 20 0 FIADMP c1cc2c(cccc2CC[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000503123199 1096075462 /nfs/dbraw/zinc/07/54/62/1096075462.db2.gz RJJXXAANOCTCBZ-SSPYTLHUSA-N 2 1 359.517 4.211 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000503162524 1096100815 /nfs/dbraw/zinc/10/08/15/1096100815.db2.gz VBAUMFGEYBXHRI-MKXGPGLRSA-N 2 1 357.542 4.261 20 0 FIADMP C[C@H](C[NH+](C)CCCC[N@H+](C)C[C@@H](C)c1nccs1)c1nccs1 ZINC000273115131 1096235348 /nfs/dbraw/zinc/23/53/48/1096235348.db2.gz QRYNBKVFABGOIR-HZPDHXFCSA-N 2 1 366.600 4.151 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766538 1096485540 /nfs/dbraw/zinc/48/55/40/1096485540.db2.gz RTRODTFAEAUVPM-AYBZRNKSSA-N 3 1 371.491 4.195 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422766538 1096485554 /nfs/dbraw/zinc/48/55/54/1096485554.db2.gz RTRODTFAEAUVPM-AYBZRNKSSA-N 3 1 371.491 4.195 20 0 FIADMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422869550 1096516347 /nfs/dbraw/zinc/51/63/47/1096516347.db2.gz ANMVREDDQPARLX-YESZJQIVSA-N 2 1 368.468 4.087 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(OCCCC(C)C)c1 ZINC000422875160 1096518603 /nfs/dbraw/zinc/51/86/03/1096518603.db2.gz OLKHQDDAOXDNME-FDFHNCONSA-N 2 1 374.569 4.057 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000422903102 1096520296 /nfs/dbraw/zinc/52/02/96/1096520296.db2.gz ODJOVYMGCNHTNT-UYHISHBKSA-N 2 1 350.384 4.423 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422925097 1096526157 /nfs/dbraw/zinc/52/61/57/1096526157.db2.gz VBVHYYSJBCSRJU-SJORKVTESA-N 2 1 352.526 4.396 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422959312 1096538904 /nfs/dbraw/zinc/53/89/04/1096538904.db2.gz RLVPKSRIEXNQEQ-HIFRSBDPSA-N 2 1 352.507 4.384 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1c[nH+]ccc1N ZINC000422970392 1096542116 /nfs/dbraw/zinc/54/21/16/1096542116.db2.gz WIMPBEWYWARDPY-QGZVFWFLSA-N 3 1 360.505 4.074 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000509972694 1096553880 /nfs/dbraw/zinc/55/38/80/1096553880.db2.gz DEKXXSCIBIKFTP-UHFFFAOYSA-N 2 1 374.532 4.150 20 0 FIADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092270 1096572081 /nfs/dbraw/zinc/57/20/81/1096572081.db2.gz BEOPSRGASPKQHZ-SJFSSXKUSA-N 2 1 362.439 4.500 20 0 FIADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423106707 1096583537 /nfs/dbraw/zinc/58/35/37/1096583537.db2.gz OUCBJASLRSCBPW-AZQUWAFASA-N 3 1 363.977 4.361 20 0 FIADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423106015 1096583603 /nfs/dbraw/zinc/58/36/03/1096583603.db2.gz OEUDJTHNNIOJMK-KNXBSLHKSA-N 2 1 372.940 4.356 20 0 FIADMP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423111247 1096584593 /nfs/dbraw/zinc/58/45/93/1096584593.db2.gz QKCAQONPRPWTKA-GNADVCDUSA-N 2 1 364.533 4.421 20 0 FIADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)c2ccccc21 ZINC000423148075 1096586975 /nfs/dbraw/zinc/58/69/75/1096586975.db2.gz FFEHFQJSECUIKJ-IKGGRYGDSA-N 2 1 361.258 4.310 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423184562 1096596031 /nfs/dbraw/zinc/59/60/31/1096596031.db2.gz IHRPJKWFRDXRKC-OAQYLSRUSA-N 2 1 353.510 4.188 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@H](C)CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000414722871 1096609627 /nfs/dbraw/zinc/60/96/27/1096609627.db2.gz GOEOUVSQBFTHFU-XLIONFOSSA-N 2 1 357.567 4.132 20 0 FIADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423187046 1096610100 /nfs/dbraw/zinc/61/01/00/1096610100.db2.gz LQFPKVLZFXYURM-SFHVURJKSA-N 2 1 364.537 4.389 20 0 FIADMP Brc1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423191839 1096613056 /nfs/dbraw/zinc/61/30/56/1096613056.db2.gz UGWCOLBDRXKXHS-LJQANCHMSA-N 2 1 374.326 4.065 20 0 FIADMP CCOc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000414724258 1096621688 /nfs/dbraw/zinc/62/16/88/1096621688.db2.gz RJNRXTCYIPWRQD-FQEVSTJZSA-N 2 1 356.535 4.291 20 0 FIADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000423322790 1096643601 /nfs/dbraw/zinc/64/36/01/1096643601.db2.gz GZVFKPZAJJYLBF-NBMNISKBSA-N 2 1 372.553 4.001 20 0 FIADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423394957 1096665117 /nfs/dbraw/zinc/66/51/17/1096665117.db2.gz NACSSAVRLPZANE-UHNFBRDESA-N 2 1 357.723 4.141 20 0 FIADMP CC1CC[NH+](CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2ccc(F)cc2)CC1 ZINC000423392995 1096665206 /nfs/dbraw/zinc/66/52/06/1096665206.db2.gz XZGCYOQZVXGOTK-QIJUGHKUSA-N 3 1 361.549 4.109 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423399111 1096667087 /nfs/dbraw/zinc/66/70/87/1096667087.db2.gz PJXFGAGBZMLTGT-PEBVRCNWSA-N 2 1 367.324 4.136 20 0 FIADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423445657 1096678191 /nfs/dbraw/zinc/67/81/91/1096678191.db2.gz MYXFZKCTPGCSKH-AXFHLTTASA-N 2 1 368.344 4.267 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000423471390 1096694143 /nfs/dbraw/zinc/69/41/43/1096694143.db2.gz LZODHAIIZDVVQT-ISTRZQFTSA-N 2 1 366.402 4.287 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000515530274 1098668860 /nfs/dbraw/zinc/66/88/60/1098668860.db2.gz TWXQYIZXMZMBLC-LUOVTCROSA-N 2 1 350.453 4.248 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000515530274 1098668866 /nfs/dbraw/zinc/66/88/66/1098668866.db2.gz TWXQYIZXMZMBLC-LUOVTCROSA-N 2 1 350.453 4.248 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000515530274 1098668871 /nfs/dbraw/zinc/66/88/71/1098668871.db2.gz TWXQYIZXMZMBLC-LUOVTCROSA-N 2 1 350.453 4.248 20 0 FIADMP CCC[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060856 1098727420 /nfs/dbraw/zinc/72/74/20/1098727420.db2.gz WDGOJDKKILXLIS-UHFFFAOYSA-N 2 1 356.489 4.114 20 0 FIADMP CCC[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533060856 1098727435 /nfs/dbraw/zinc/72/74/35/1098727435.db2.gz WDGOJDKKILXLIS-UHFFFAOYSA-N 2 1 356.489 4.114 20 0 FIADMP c1coc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cs2)c1 ZINC000533099034 1098756561 /nfs/dbraw/zinc/75/65/61/1098756561.db2.gz OKUZJYOHLBXANR-UHFFFAOYSA-N 2 1 359.539 4.491 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436402231 1098991629 /nfs/dbraw/zinc/99/16/29/1098991629.db2.gz UUDUNPQTOLPFFS-OYDLWJJNSA-N 2 1 364.533 4.069 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436402233 1098991655 /nfs/dbraw/zinc/99/16/55/1098991655.db2.gz UUDUNPQTOLPFFS-ZTCOLXNVSA-N 2 1 364.533 4.069 20 0 FIADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000533534557 1099162986 /nfs/dbraw/zinc/16/29/86/1099162986.db2.gz XKJSPPFOYHAONC-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533534557 1099162994 /nfs/dbraw/zinc/16/29/94/1099162994.db2.gz XKJSPPFOYHAONC-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP FC(F)(F)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533534557 1099162998 /nfs/dbraw/zinc/16/29/98/1099162998.db2.gz XKJSPPFOYHAONC-VQIMIIECSA-N 2 1 368.443 4.076 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)[C@H]2CCC[C@H]21 ZINC000516324645 1099369984 /nfs/dbraw/zinc/36/99/84/1099369984.db2.gz XWBHALNZIDQFTM-FUPPJEDESA-N 2 1 374.532 4.047 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)[C@@H]2CCC[C@H]21 ZINC000516324647 1099370666 /nfs/dbraw/zinc/37/06/66/1099370666.db2.gz XWBHALNZIDQFTM-QNWVGRARSA-N 2 1 374.532 4.047 20 0 FIADMP CC(C)N(C)c1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000437081705 1099585311 /nfs/dbraw/zinc/58/53/11/1099585311.db2.gz XTRLNBDBWWOUJR-UHFFFAOYSA-N 2 1 351.538 4.285 20 0 FIADMP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3C)CC1)CCC2 ZINC000162154146 1099640329 /nfs/dbraw/zinc/64/03/29/1099640329.db2.gz MGMZMWNRTQGZAR-FQEVSTJZSA-N 2 1 355.551 4.392 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H]3CCSc4ccc(F)cc43)CC2)nc(C)[nH+]1 ZINC000162222448 1099662692 /nfs/dbraw/zinc/66/26/92/1099662692.db2.gz FRQJUOVLXLLUCQ-GOSISDBHSA-N 2 1 372.513 4.028 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H](C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000162290790 1099679060 /nfs/dbraw/zinc/67/90/60/1099679060.db2.gz PJDGVBIKWCRJSI-VFNWGFHPSA-N 2 1 350.510 4.290 20 0 FIADMP CC[N@@H+](CCCCCF)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000516751929 1099769966 /nfs/dbraw/zinc/76/99/66/1099769966.db2.gz APHRXWOMBJQVLY-UHFFFAOYSA-N 2 1 350.526 4.339 20 0 FIADMP C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693515 1099823466 /nfs/dbraw/zinc/82/34/66/1099823466.db2.gz CVCMDXPYEWRFFT-GHTZIAJQSA-N 2 1 372.940 4.357 20 0 FIADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693187 1099824234 /nfs/dbraw/zinc/82/42/34/1099824234.db2.gz AFNKZPUQHSWWJZ-QWFCFKBJSA-N 2 1 356.485 4.093 20 0 FIADMP Clc1ccc([C@H](Cc2cccnc2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000516821830 1099849692 /nfs/dbraw/zinc/84/96/92/1099849692.db2.gz USSLRJLKRSRXCT-NRFANRHFSA-N 2 1 355.913 4.235 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896631 /nfs/dbraw/zinc/89/66/31/1099896631.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896647 /nfs/dbraw/zinc/89/66/47/1099896647.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896666 /nfs/dbraw/zinc/89/66/66/1099896666.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896697 /nfs/dbraw/zinc/89/66/97/1099896697.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866864 1099896714 /nfs/dbraw/zinc/89/67/14/1099896714.db2.gz UZUMPINZNKEABM-XZOQPEGZSA-N 2 1 369.597 4.141 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc4c(s3)CCC4)CC2)oc1C ZINC000162755548 1099989845 /nfs/dbraw/zinc/98/98/45/1099989845.db2.gz GALYWZRPQRCDKN-HNNXBMFYSA-N 2 1 373.566 4.404 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C)cc3C)CC2)oc1C ZINC000162766222 1099996213 /nfs/dbraw/zinc/99/62/13/1099996213.db2.gz DCZHCFMYLAPLPJ-SFHVURJKSA-N 2 1 355.526 4.471 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000467360075 1100103391 /nfs/dbraw/zinc/10/33/91/1100103391.db2.gz WFCXVVUHIAEVHO-IFPLKCGESA-N 2 1 356.554 4.082 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000467360075 1100103400 /nfs/dbraw/zinc/10/34/00/1100103400.db2.gz WFCXVVUHIAEVHO-IFPLKCGESA-N 2 1 356.554 4.082 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000536652391 1100106030 /nfs/dbraw/zinc/10/60/30/1100106030.db2.gz CKXDYMHTYZKRKQ-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459399326 1100107138 /nfs/dbraw/zinc/10/71/38/1100107138.db2.gz YXPZJDYXPHIGCK-HDICACEKSA-N 2 1 364.537 4.122 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459399326 1100107146 /nfs/dbraw/zinc/10/71/46/1100107146.db2.gz YXPZJDYXPHIGCK-HDICACEKSA-N 2 1 364.537 4.122 20 0 FIADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OCC(C)C ZINC000536653012 1100107946 /nfs/dbraw/zinc/10/79/46/1100107946.db2.gz RDMVQBRNJPWCEI-UHFFFAOYSA-N 2 1 362.558 4.282 20 0 FIADMP Cc1sc([C@H](C)[NH2+]CCc2c[nH+]cn2C)nc1-c1ccc(Cl)cc1 ZINC000459402574 1100108493 /nfs/dbraw/zinc/10/84/93/1100108493.db2.gz KFMKOEHJECSHSE-LBPRGKRZSA-N 2 1 360.914 4.399 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459394889 1100121196 /nfs/dbraw/zinc/12/11/96/1100121196.db2.gz SQTOILREUHPTDK-VAMGGRTRSA-N 2 1 362.583 4.177 20 0 FIADMP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000536659746 1100130567 /nfs/dbraw/zinc/13/05/67/1100130567.db2.gz VCEKZNWGDZBVRC-MRXNPFEDSA-N 2 1 360.448 4.359 20 0 FIADMP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000536659746 1100130578 /nfs/dbraw/zinc/13/05/78/1100130578.db2.gz VCEKZNWGDZBVRC-MRXNPFEDSA-N 2 1 360.448 4.359 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659684 1100130785 /nfs/dbraw/zinc/13/07/85/1100130785.db2.gz RLSRDSMMULFLMU-QUCCMNQESA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659684 1100130791 /nfs/dbraw/zinc/13/07/91/1100130791.db2.gz RLSRDSMMULFLMU-QUCCMNQESA-N 2 1 353.510 4.487 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659684 1100130796 /nfs/dbraw/zinc/13/07/96/1100130796.db2.gz RLSRDSMMULFLMU-QUCCMNQESA-N 2 1 353.510 4.487 20 0 FIADMP CCC[N@H+](Cc1cc(F)cc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536669654 1100153564 /nfs/dbraw/zinc/15/35/64/1100153564.db2.gz XLNPWSZEXOHTKY-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@@H+](Cc1cc(F)cc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536669654 1100153571 /nfs/dbraw/zinc/15/35/71/1100153571.db2.gz XLNPWSZEXOHTKY-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCOc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(Cl)c1O ZINC000459462307 1100207199 /nfs/dbraw/zinc/20/71/99/1100207199.db2.gz KUFXOCMCFVMZIA-ZBFHGGJFSA-N 2 1 366.933 4.187 20 0 FIADMP COc1ccc(Oc2ccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000459465140 1100209061 /nfs/dbraw/zinc/20/90/61/1100209061.db2.gz PDTAIACUWNBAEN-UHFFFAOYSA-N 2 1 366.505 4.246 20 0 FIADMP C[C@@H](CC[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000379620519 1100219850 /nfs/dbraw/zinc/21/98/50/1100219850.db2.gz DCOCTEXWLPNEOS-FQEVSTJZSA-N 2 1 351.538 4.156 20 0 FIADMP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000379625509 1100222508 /nfs/dbraw/zinc/22/25/08/1100222508.db2.gz FTKGDRYMPCTUHC-ROUUACIJSA-N 2 1 356.510 4.265 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC ZINC000379622231 1100224192 /nfs/dbraw/zinc/22/41/92/1100224192.db2.gz GJFYEUBHJMBWOK-NQIIRXRSSA-N 2 1 368.521 4.237 20 0 FIADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC ZINC000379622231 1100224205 /nfs/dbraw/zinc/22/42/05/1100224205.db2.gz GJFYEUBHJMBWOK-NQIIRXRSSA-N 2 1 368.521 4.237 20 0 FIADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@H](C)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000437982453 1100346986 /nfs/dbraw/zinc/34/69/86/1100346986.db2.gz ZGCPFGOYZLHZQO-LQBOVUBWSA-N 2 1 372.532 4.068 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@H]4CC[N@@H+](C)C[C@@H]4C)cc3)ccc2O1 ZINC000536838072 1100348994 /nfs/dbraw/zinc/34/89/94/1100348994.db2.gz GNOJDLTZNSUSCX-JKSBSHDWSA-N 2 1 350.506 4.107 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000536841806 1100355028 /nfs/dbraw/zinc/35/50/28/1100355028.db2.gz UMINIMSSUQDSKW-WMZHIEFXSA-N 2 1 374.532 4.230 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000536841806 1100355037 /nfs/dbraw/zinc/35/50/37/1100355037.db2.gz UMINIMSSUQDSKW-WMZHIEFXSA-N 2 1 374.532 4.230 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000536849383 1100361533 /nfs/dbraw/zinc/36/15/33/1100361533.db2.gz BVPNXBMKEACTDV-XXBNENTESA-N 2 1 352.522 4.128 20 0 FIADMP CCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000536849383 1100361544 /nfs/dbraw/zinc/36/15/44/1100361544.db2.gz BVPNXBMKEACTDV-XXBNENTESA-N 2 1 352.522 4.128 20 0 FIADMP CCSc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536858605 1100374342 /nfs/dbraw/zinc/37/43/42/1100374342.db2.gz QZTWFYIBZIMBPR-FGTMMUONSA-N 2 1 350.572 4.339 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000536876209 1100398520 /nfs/dbraw/zinc/39/85/20/1100398520.db2.gz JRZLERCWJOQMIT-KRWDZBQOSA-N 2 1 369.322 4.428 20 0 FIADMP CCOc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1OC(F)F ZINC000517537395 1100475387 /nfs/dbraw/zinc/47/53/87/1100475387.db2.gz RHVWGTQALAWFJH-HOTGVXAUSA-N 2 1 370.484 4.144 20 0 FIADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2)c1ccccc1 ZINC000438359844 1100617116 /nfs/dbraw/zinc/61/71/16/1100617116.db2.gz RDDXWAZETQIHDO-JOCHJYFZSA-N 2 1 365.521 4.290 20 0 FIADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2)c1ccccc1 ZINC000438359844 1100617126 /nfs/dbraw/zinc/61/71/26/1100617126.db2.gz RDDXWAZETQIHDO-JOCHJYFZSA-N 2 1 365.521 4.290 20 0 FIADMP CC[NH+](C)[C@@H](C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)c1ccccc1 ZINC000438359844 1100617131 /nfs/dbraw/zinc/61/71/31/1100617131.db2.gz RDDXWAZETQIHDO-JOCHJYFZSA-N 2 1 365.521 4.290 20 0 FIADMP CC[NH+](C)[C@@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)c1ccccc1 ZINC000438359844 1100617135 /nfs/dbraw/zinc/61/71/35/1100617135.db2.gz RDDXWAZETQIHDO-JOCHJYFZSA-N 2 1 365.521 4.290 20 0 FIADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426022354 1100676773 /nfs/dbraw/zinc/67/67/73/1100676773.db2.gz NGBUQOWFMIPSDA-QIJUGHKUSA-N 2 1 364.533 4.053 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000506353691 1100910367 /nfs/dbraw/zinc/91/03/67/1100910367.db2.gz SEOXLCAXJQWHLU-UHFFFAOYSA-N 2 1 362.521 4.330 20 0 FIADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1O ZINC000426158161 1100919988 /nfs/dbraw/zinc/91/99/88/1100919988.db2.gz AKKHJIWHPDXAFG-GOSISDBHSA-N 2 1 370.537 4.352 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2ncc(CSC)s2)CC1)CC1CC1 ZINC000509559174 1100960539 /nfs/dbraw/zinc/96/05/39/1100960539.db2.gz LCIRSHJKHXWVHX-UHFFFAOYSA-N 2 1 367.628 4.340 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2ncc(CSC)s2)CC1)CC1CC1 ZINC000509559174 1100960542 /nfs/dbraw/zinc/96/05/42/1100960542.db2.gz LCIRSHJKHXWVHX-UHFFFAOYSA-N 2 1 367.628 4.340 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414960373 1100974616 /nfs/dbraw/zinc/97/46/16/1100974616.db2.gz AQDZOCJWSUXDLN-KRWDZBQOSA-N 2 1 354.922 4.005 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H]1OCCc2sccc21 ZINC000426304175 1101237981 /nfs/dbraw/zinc/23/79/81/1101237981.db2.gz BWNFOHQAKVCXDV-KALAIVBUSA-N 2 1 362.583 4.383 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335907 1101300619 /nfs/dbraw/zinc/30/06/19/1101300619.db2.gz RFHJRMKVVDLTLU-VMGRFDJRSA-N 2 1 351.332 4.145 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335907 1101300625 /nfs/dbraw/zinc/30/06/25/1101300625.db2.gz RFHJRMKVVDLTLU-VMGRFDJRSA-N 2 1 351.332 4.145 20 0 FIADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000536998066 1101385599 /nfs/dbraw/zinc/38/55/99/1101385599.db2.gz DBGCSKMTFGTVAN-IBGZPJMESA-N 2 1 372.384 4.308 20 0 FIADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000459798845 1101390432 /nfs/dbraw/zinc/39/04/32/1101390432.db2.gz YCJMGZQJVDDEFX-MXWWQKGMSA-N 2 1 351.332 4.017 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000518763533 1101518403 /nfs/dbraw/zinc/51/84/03/1101518403.db2.gz UCCIDDZCUXABLI-CQSZACIVSA-N 2 1 357.311 4.190 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000178323829 1101530571 /nfs/dbraw/zinc/53/05/71/1101530571.db2.gz WNUFYYPFMNQJBE-IAGOWNOFSA-N 2 1 372.476 4.173 20 0 FIADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000537306040 1101631247 /nfs/dbraw/zinc/63/12/47/1101631247.db2.gz BRPKJBGZDZIRBI-NDXORKPFSA-N 2 1 370.537 4.414 20 0 FIADMP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[N@H+]1C ZINC000537310120 1101640510 /nfs/dbraw/zinc/64/05/10/1101640510.db2.gz CYCANGWTQJOFAC-FUHWJXTLSA-N 2 1 366.534 4.173 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000325418992 1101799437 /nfs/dbraw/zinc/79/94/37/1101799437.db2.gz NGPUSZUJRWYCNL-NSHDSACASA-N 2 1 354.338 4.156 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000398112654 1101966776 /nfs/dbraw/zinc/96/67/76/1101966776.db2.gz DPJCSKUMTCUBIW-HJNYFJLDSA-N 2 1 356.554 4.369 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000398112654 1101966782 /nfs/dbraw/zinc/96/67/82/1101966782.db2.gz DPJCSKUMTCUBIW-HJNYFJLDSA-N 2 1 356.554 4.369 20 0 FIADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189553 1101997384 /nfs/dbraw/zinc/99/73/84/1101997384.db2.gz DJYYZIVJQXDJFF-MZYLBHOOSA-N 2 1 370.581 4.474 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000519225003 1102021752 /nfs/dbraw/zinc/02/17/52/1102021752.db2.gz JHCVJGKXPXKJHM-GOSISDBHSA-N 2 1 359.558 4.020 20 0 FIADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183385 1102084113 /nfs/dbraw/zinc/08/41/13/1102084113.db2.gz PYWVTJBANDYGPH-WIYYLYMNSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183385 1102084122 /nfs/dbraw/zinc/08/41/22/1102084122.db2.gz PYWVTJBANDYGPH-WIYYLYMNSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183385 1102084137 /nfs/dbraw/zinc/08/41/37/1102084137.db2.gz PYWVTJBANDYGPH-WIYYLYMNSA-N 2 1 364.961 4.094 20 0 FIADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183385 1102084152 /nfs/dbraw/zinc/08/41/52/1102084152.db2.gz PYWVTJBANDYGPH-WIYYLYMNSA-N 2 1 364.961 4.094 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000440313553 1102189399 /nfs/dbraw/zinc/18/93/99/1102189399.db2.gz HEYZRWJIDZBJAG-UHFFFAOYSA-N 2 1 371.594 4.482 20 0 FIADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783438 1102295834 /nfs/dbraw/zinc/29/58/34/1102295834.db2.gz ZXDJQUTWBRFZLD-YADHBBJMSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783438 1102295841 /nfs/dbraw/zinc/29/58/41/1102295841.db2.gz ZXDJQUTWBRFZLD-YADHBBJMSA-N 2 1 360.505 4.012 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000532441731 1102330563 /nfs/dbraw/zinc/33/05/63/1102330563.db2.gz FZHKJDXWGQUDSK-QAPCUYQASA-N 2 1 363.596 4.066 20 0 FIADMP Cc1cc([C@@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000532474692 1102404085 /nfs/dbraw/zinc/40/40/85/1102404085.db2.gz ZYUXUMCISUTDQP-OALUTQOASA-N 2 1 372.513 4.424 20 0 FIADMP Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)c(C)n2n1 ZINC000091735150 1102410087 /nfs/dbraw/zinc/41/00/87/1102410087.db2.gz SZVLRUNQJNIWGW-HZPDHXFCSA-N 2 1 374.492 4.252 20 0 FIADMP CCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC000532475931 1102411571 /nfs/dbraw/zinc/41/15/71/1102411571.db2.gz RLOSJQQJWADVTN-KRWDZBQOSA-N 2 1 360.542 4.399 20 0 FIADMP CCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC000532475932 1102411834 /nfs/dbraw/zinc/41/18/34/1102411834.db2.gz RLOSJQQJWADVTN-QGZVFWFLSA-N 2 1 360.542 4.399 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000550827156 1102475379 /nfs/dbraw/zinc/47/53/79/1102475379.db2.gz LERYXOUHYVSUFB-HXUWFJFHSA-N 2 1 374.532 4.359 20 0 FIADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122009013 1102509913 /nfs/dbraw/zinc/50/99/13/1102509913.db2.gz TVDFXWYXGFTUPE-UHFFFAOYSA-N 2 1 371.569 4.084 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000122261793 1102551581 /nfs/dbraw/zinc/55/15/81/1102551581.db2.gz BKZJOCHTPBGYPD-YSSFQJQWSA-N 2 1 354.485 4.143 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000122261793 1102551590 /nfs/dbraw/zinc/55/15/90/1102551590.db2.gz BKZJOCHTPBGYPD-YSSFQJQWSA-N 2 1 354.485 4.143 20 0 FIADMP COc1ccc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812579 1102554129 /nfs/dbraw/zinc/55/41/29/1102554129.db2.gz ZGFAVBGMNHXNDG-KNQAVFIVSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812579 1102554144 /nfs/dbraw/zinc/55/41/44/1102554144.db2.gz ZGFAVBGMNHXNDG-KNQAVFIVSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812579 1102554156 /nfs/dbraw/zinc/55/41/56/1102554156.db2.gz ZGFAVBGMNHXNDG-KNQAVFIVSA-N 2 1 352.522 4.223 20 0 FIADMP COc1ccc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303812579 1102554167 /nfs/dbraw/zinc/55/41/67/1102554167.db2.gz ZGFAVBGMNHXNDG-KNQAVFIVSA-N 2 1 352.522 4.223 20 0 FIADMP COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122431545 1102577702 /nfs/dbraw/zinc/57/77/02/1102577702.db2.gz QLKPDZVCBKRDDO-HZPDHXFCSA-N 2 1 360.473 4.187 20 0 FIADMP Cc1nc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000664835015 1102655120 /nfs/dbraw/zinc/65/51/20/1102655120.db2.gz CAEUFCMRLDSXIQ-QFIPXVFZSA-N 2 1 367.537 4.414 20 0 FIADMP Cc1nc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000664835015 1102655126 /nfs/dbraw/zinc/65/51/26/1102655126.db2.gz CAEUFCMRLDSXIQ-QFIPXVFZSA-N 2 1 367.537 4.414 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1N(C)C ZINC000537648293 1102665231 /nfs/dbraw/zinc/66/52/31/1102665231.db2.gz YNLPAUWULDYMBO-IRFCIJBXSA-N 2 1 351.538 4.456 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1N(C)C ZINC000537648293 1102665235 /nfs/dbraw/zinc/66/52/35/1102665235.db2.gz YNLPAUWULDYMBO-IRFCIJBXSA-N 2 1 351.538 4.456 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000537649019 1102688176 /nfs/dbraw/zinc/68/81/76/1102688176.db2.gz BHSOWANPNQXUCR-LJQANCHMSA-N 2 1 373.566 4.051 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1Cl ZINC000550933652 1102712820 /nfs/dbraw/zinc/71/28/20/1102712820.db2.gz ULJKCPSYMXCONZ-QUCCMNQESA-N 2 1 358.913 4.316 20 0 FIADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1Cl ZINC000550933652 1102712831 /nfs/dbraw/zinc/71/28/31/1102712831.db2.gz ULJKCPSYMXCONZ-QUCCMNQESA-N 2 1 358.913 4.316 20 0 FIADMP COc1cccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167977809 1102733555 /nfs/dbraw/zinc/73/35/55/1102733555.db2.gz FPANDPRYVIGXOZ-SEJPIABJSA-N 2 1 354.538 4.013 20 0 FIADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[NH+](C)C)cc1 ZINC000551014270 1102790420 /nfs/dbraw/zinc/79/04/20/1102790420.db2.gz QVTVMSDUIKGDRF-ZRBLBEILSA-N 2 1 351.538 4.023 20 0 FIADMP C[NH+](C)CCCC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000123126389 1102797800 /nfs/dbraw/zinc/79/78/00/1102797800.db2.gz RMYZGTZKNUPOJY-UHFFFAOYSA-N 2 1 357.567 4.288 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551029727 1102810003 /nfs/dbraw/zinc/81/00/03/1102810003.db2.gz PYRFMRZCDBYEPZ-IOMROCGXSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000551029727 1102810020 /nfs/dbraw/zinc/81/00/20/1102810020.db2.gz PYRFMRZCDBYEPZ-IOMROCGXSA-N 2 1 368.521 4.060 20 0 FIADMP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)c2)cc1 ZINC000537692739 1102871690 /nfs/dbraw/zinc/87/16/90/1102871690.db2.gz MGKFADMEAGMBQX-RBZQAINGSA-N 2 1 364.533 4.346 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCC(F)(F)CC1 ZINC000459365911 1102930892 /nfs/dbraw/zinc/93/08/92/1102930892.db2.gz BWHBPGLZIAPBML-UHFFFAOYSA-N 2 1 351.485 4.445 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551175391 1102948903 /nfs/dbraw/zinc/94/89/03/1102948903.db2.gz IGXVCXLKQKSYQB-QMMLZNLJSA-N 2 1 354.469 4.247 20 0 FIADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551175391 1102948906 /nfs/dbraw/zinc/94/89/06/1102948906.db2.gz IGXVCXLKQKSYQB-QMMLZNLJSA-N 2 1 354.469 4.247 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197584 1102975154 /nfs/dbraw/zinc/97/51/54/1102975154.db2.gz GHHDWMFXPPYETF-GMAHTHKFSA-N 2 1 368.521 4.027 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197584 1102975157 /nfs/dbraw/zinc/97/51/57/1102975157.db2.gz GHHDWMFXPPYETF-GMAHTHKFSA-N 2 1 368.521 4.027 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197580 1102975409 /nfs/dbraw/zinc/97/54/09/1102975409.db2.gz GHHDWMFXPPYETF-FYYLOGMGSA-N 2 1 368.521 4.027 20 0 FIADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197580 1102975411 /nfs/dbraw/zinc/97/54/11/1102975411.db2.gz GHHDWMFXPPYETF-FYYLOGMGSA-N 2 1 368.521 4.027 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)c1OC ZINC000551201596 1102976720 /nfs/dbraw/zinc/97/67/20/1102976720.db2.gz WIOMNQHHLZGSPL-DSKINZAPSA-N 2 1 368.521 4.498 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)c1OC ZINC000551201596 1102976725 /nfs/dbraw/zinc/97/67/25/1102976725.db2.gz WIOMNQHHLZGSPL-DSKINZAPSA-N 2 1 368.521 4.498 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000476978124 1102991367 /nfs/dbraw/zinc/99/13/67/1102991367.db2.gz AHQVYVJXCPXGNM-QGZVFWFLSA-N 2 1 357.498 4.411 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000476978124 1102991372 /nfs/dbraw/zinc/99/13/72/1102991372.db2.gz AHQVYVJXCPXGNM-QGZVFWFLSA-N 2 1 357.498 4.411 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CCCC[C@H]3C)cn2c1 ZINC000551225941 1102992610 /nfs/dbraw/zinc/99/26/10/1102992610.db2.gz WRKNIMRVMDMKAC-LJQANCHMSA-N 2 1 362.521 4.307 20 0 FIADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CCCC[C@H]3C)cn2c1 ZINC000551225941 1102992614 /nfs/dbraw/zinc/99/26/14/1102992614.db2.gz WRKNIMRVMDMKAC-LJQANCHMSA-N 2 1 362.521 4.307 20 0 FIADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000476983950 1103003186 /nfs/dbraw/zinc/00/31/86/1103003186.db2.gz LQFDWAWGKNGTEE-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000476983950 1103003199 /nfs/dbraw/zinc/00/31/99/1103003199.db2.gz LQFDWAWGKNGTEE-FQEVSTJZSA-N 2 1 371.569 4.218 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCNc2ccccn2)CC1 ZINC000551267642 1103028905 /nfs/dbraw/zinc/02/89/05/1103028905.db2.gz HDAMXBRLHJHIRC-UHFFFAOYSA-N 2 1 366.553 4.307 20 0 FIADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000551279324 1103038428 /nfs/dbraw/zinc/03/84/28/1103038428.db2.gz FGJNUWNERSXYNN-MOPGFXCFSA-N 2 1 371.569 4.315 20 0 FIADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000551279324 1103038446 /nfs/dbraw/zinc/03/84/46/1103038446.db2.gz FGJNUWNERSXYNN-MOPGFXCFSA-N 2 1 371.569 4.315 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000729682779 1103049637 /nfs/dbraw/zinc/04/96/37/1103049637.db2.gz KSQZGAGSNLUAEZ-JOCHJYFZSA-N 2 1 352.522 4.476 20 0 FIADMP CN(c1ccccc1C[N@H+]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000507082068 1103103682 /nfs/dbraw/zinc/10/36/82/1103103682.db2.gz ALCNFDHYTGXSQF-OAQYLSRUSA-N 2 1 363.549 4.207 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCc4ccc5ccccc5n4)[C@H]3C2)cc1 ZINC000507519020 1103463952 /nfs/dbraw/zinc/46/39/52/1103463952.db2.gz GQZBXBDWPMVYMT-UMXIMWEHSA-N 2 1 371.528 4.278 20 0 FIADMP Cc1ccsc1[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000519780534 1103865938 /nfs/dbraw/zinc/86/59/38/1103865938.db2.gz XTGHCXZOPGZLER-MHJFOBGBSA-N 2 1 358.551 4.123 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766825 1103925858 /nfs/dbraw/zinc/92/58/58/1103925858.db2.gz JFLDTOHAKYPXJK-NZSAHSFTSA-N 2 1 370.459 4.247 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537766825 1103925861 /nfs/dbraw/zinc/92/58/61/1103925861.db2.gz JFLDTOHAKYPXJK-NZSAHSFTSA-N 2 1 370.459 4.247 20 0 FIADMP C[N@@H+](CCSc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537846096 1103967661 /nfs/dbraw/zinc/96/76/61/1103967661.db2.gz ZQBMRJGXIAPLIN-UHFFFAOYSA-N 2 1 355.551 4.412 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000461081811 1104082573 /nfs/dbraw/zinc/08/25/73/1104082573.db2.gz BOIFXYPHOITUCJ-PKOBYXMFSA-N 2 1 362.558 4.082 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000538274876 1104095105 /nfs/dbraw/zinc/09/51/05/1104095105.db2.gz LHMRDEFVAJUDST-QHCPKHFHSA-N 2 1 357.586 4.315 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000538305436 1104126570 /nfs/dbraw/zinc/12/65/70/1104126570.db2.gz SZOYQYMZUJKQME-SFHVURJKSA-N 2 1 360.590 4.194 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3OCO4)cc2)C1 ZINC000520205081 1104170944 /nfs/dbraw/zinc/17/09/44/1104170944.db2.gz SGDOYEYKKLBZGE-HDICACEKSA-N 2 1 366.505 4.183 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCSc1ccccc1Cl ZINC000441201916 1104195842 /nfs/dbraw/zinc/19/58/42/1104195842.db2.gz FRZMIDHCFUCRDJ-BPQIPLTHSA-N 2 1 368.974 4.006 20 0 FIADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520343992 1104284868 /nfs/dbraw/zinc/28/48/68/1104284868.db2.gz SRLYFAANSNFWQJ-PZJWPPBQSA-N 2 1 358.570 4.330 20 0 FIADMP Clc1ccc(SCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397526 1104329622 /nfs/dbraw/zinc/32/96/22/1104329622.db2.gz WSNYSMXVGLJFSA-DNVCBOLYSA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397526 1104329632 /nfs/dbraw/zinc/32/96/32/1104329632.db2.gz WSNYSMXVGLJFSA-DNVCBOLYSA-N 2 1 350.959 4.381 20 0 FIADMP Clc1ccc(SCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397526 1104329645 /nfs/dbraw/zinc/32/96/45/1104329645.db2.gz WSNYSMXVGLJFSA-DNVCBOLYSA-N 2 1 350.959 4.381 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C[NH+]1CCCCC1 ZINC000427561399 1104358214 /nfs/dbraw/zinc/35/82/14/1104358214.db2.gz BTUKNOGZQQCDEZ-WMLDXEAASA-N 2 1 355.448 4.189 20 0 FIADMP c1cc(S[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)ccn1 ZINC001167995520 1104516794 /nfs/dbraw/zinc/51/67/94/1104516794.db2.gz IQCXEKRJFJFUQM-KXZRCVDZSA-N 2 1 357.567 4.044 20 0 FIADMP c1cc(S[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995520 1104516804 /nfs/dbraw/zinc/51/68/04/1104516804.db2.gz IQCXEKRJFJFUQM-KXZRCVDZSA-N 2 1 357.567 4.044 20 0 FIADMP c1cc(S[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)ccn1 ZINC001167995520 1104516811 /nfs/dbraw/zinc/51/68/11/1104516811.db2.gz IQCXEKRJFJFUQM-KXZRCVDZSA-N 2 1 357.567 4.044 20 0 FIADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441451900 1104741051 /nfs/dbraw/zinc/74/10/51/1104741051.db2.gz OIZOFPFOJJSSDR-FQEVSTJZSA-N 2 1 352.522 4.417 20 0 FIADMP c1ccc2cc(OCCC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000441466343 1104800759 /nfs/dbraw/zinc/80/07/59/1104800759.db2.gz NFDJJLQMAFVJJN-HXUWFJFHSA-N 2 1 352.522 4.417 20 0 FIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000536424001 1104928040 /nfs/dbraw/zinc/92/80/40/1104928040.db2.gz KKDPNRGAYCXRTJ-QFIPXVFZSA-N 2 1 356.554 4.422 20 0 FIADMP COc1cccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168003024 1104993864 /nfs/dbraw/zinc/99/38/64/1104993864.db2.gz ILCQRFFVRASRBX-JYEDNEFCSA-N 2 1 368.565 4.355 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OCc2ccccc2)c1 ZINC000152366675 1105035302 /nfs/dbraw/zinc/03/53/02/1105035302.db2.gz ATLUSEQOOUXYDE-UYAOXDASSA-N 2 1 350.506 4.401 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ncc(Br)cc1F ZINC000427604219 1105044685 /nfs/dbraw/zinc/04/46/85/1105044685.db2.gz OEVCOYGXUQZREK-KGLIPLIRSA-N 2 1 372.326 4.288 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404250 1105087354 /nfs/dbraw/zinc/08/73/54/1105087354.db2.gz VEFFDCGSLILGOV-QUCCMNQESA-N 2 1 350.506 4.401 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404250 1105087366 /nfs/dbraw/zinc/08/73/66/1105087366.db2.gz VEFFDCGSLILGOV-QUCCMNQESA-N 2 1 350.506 4.401 20 0 FIADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000152403801 1105087514 /nfs/dbraw/zinc/08/75/14/1105087514.db2.gz ASSJRXROJLXILO-AUSIDOKSSA-N 2 1 350.506 4.053 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000093075589 1105090570 /nfs/dbraw/zinc/09/05/70/1105090570.db2.gz DSKOVTMYTIFTGS-IBGZPJMESA-N 2 1 374.532 4.402 20 0 FIADMP COC(=O)CCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006750 1105117031 /nfs/dbraw/zinc/11/70/31/1105117031.db2.gz OPJWCKPARDJUHU-CEQLMSFQSA-N 2 1 360.542 4.141 20 0 FIADMP CCc1noc(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536484414 1105164705 /nfs/dbraw/zinc/16/47/05/1105164705.db2.gz COEHKAQHPXLEOR-UHFFFAOYSA-N 2 1 353.510 4.034 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000508204652 1105358528 /nfs/dbraw/zinc/35/85/28/1105358528.db2.gz IHDBRZNQAMWRHO-XWSJACJDSA-N 2 1 357.542 4.118 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(-c5cccnc5)c4)C[C@@H]3C2)cc1 ZINC000475351391 1106741757 /nfs/dbraw/zinc/74/17/57/1106741757.db2.gz GGXYALGGIRRGRZ-PLQXJYEYSA-N 2 1 369.512 4.312 20 0 FIADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(-c5cccnc5)c4)C[C@@H]3C2)cc1 ZINC000475351391 1106741762 /nfs/dbraw/zinc/74/17/62/1106741762.db2.gz GGXYALGGIRRGRZ-PLQXJYEYSA-N 2 1 369.512 4.312 20 0 FIADMP CCc1cc(CCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000451063948 1106906512 /nfs/dbraw/zinc/90/65/12/1106906512.db2.gz HQUKYNKCLYAUMU-UHFFFAOYSA-N 2 1 367.537 4.158 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000530358435 1106983978 /nfs/dbraw/zinc/98/39/78/1106983978.db2.gz CMCGPAVKNTURFT-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCCC3)O2)CC[N@H+]1Cc1ccccc1 ZINC000530358435 1106983982 /nfs/dbraw/zinc/98/39/82/1106983982.db2.gz CMCGPAVKNTURFT-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358435 1106983985 /nfs/dbraw/zinc/98/39/85/1106983985.db2.gz CMCGPAVKNTURFT-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC[NH+]1Cc1ccccc1 ZINC000530358435 1106983995 /nfs/dbraw/zinc/98/39/95/1106983995.db2.gz CMCGPAVKNTURFT-FCEUIQTBSA-N 2 1 356.554 4.463 20 0 FIADMP Brc1ccc2[nH+]ccc(N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000301517431 1107055199 /nfs/dbraw/zinc/05/51/99/1107055199.db2.gz KBZSUJHCASWKES-UHFFFAOYSA-N 2 1 360.299 4.062 20 0 FIADMP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301717552 1107121548 /nfs/dbraw/zinc/12/15/48/1107121548.db2.gz ODMBNSLSMVARSU-KBXCAEBGSA-N 2 1 361.436 4.065 20 0 FIADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000302015045 1107257168 /nfs/dbraw/zinc/25/71/68/1107257168.db2.gz BWQRIEMAAYDNCC-UHFFFAOYSA-N 2 1 364.493 4.033 20 0 FIADMP COc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711769 1107258509 /nfs/dbraw/zinc/25/85/09/1107258509.db2.gz XZZDBEJLTJKUGS-TZIWHRDSSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000530711769 1107258527 /nfs/dbraw/zinc/25/85/27/1107258527.db2.gz XZZDBEJLTJKUGS-TZIWHRDSSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711769 1107258543 /nfs/dbraw/zinc/25/85/43/1107258543.db2.gz XZZDBEJLTJKUGS-TZIWHRDSSA-N 2 1 368.521 4.059 20 0 FIADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000530711769 1107258563 /nfs/dbraw/zinc/25/85/63/1107258563.db2.gz XZZDBEJLTJKUGS-TZIWHRDSSA-N 2 1 368.521 4.059 20 0 FIADMP Cc1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000302569723 1107390029 /nfs/dbraw/zinc/39/00/29/1107390029.db2.gz OYDNXDJPCGUUEL-UHFFFAOYSA-N 2 1 360.299 4.229 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000530914290 1107409250 /nfs/dbraw/zinc/40/92/50/1107409250.db2.gz WOTFLTQEAVKGTG-HKUYNNGSSA-N 2 1 360.933 4.105 20 0 FIADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434100 1107436789 /nfs/dbraw/zinc/43/67/89/1107436789.db2.gz KZVGBAQAQQCUGX-FDDCHVKYSA-N 2 1 368.496 4.192 20 0 FIADMP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1Oc1cccnc1 ZINC000475550552 1107710182 /nfs/dbraw/zinc/71/01/82/1107710182.db2.gz OLJSAAMDTFCVHH-UHFFFAOYSA-N 2 1 351.494 4.289 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)s2)cc1 ZINC000152455249 1107719093 /nfs/dbraw/zinc/71/90/93/1107719093.db2.gz RVWISXDVBIFTQH-GOEBONIOSA-N 2 1 371.550 4.262 20 0 FIADMP c1ccc(COc2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)cc1 ZINC000475572555 1107778087 /nfs/dbraw/zinc/77/80/87/1107778087.db2.gz PUYGJLJMOLVWSK-UHFFFAOYSA-N 2 1 350.506 4.372 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676972 1108065269 /nfs/dbraw/zinc/06/52/69/1108065269.db2.gz CQNCXISCQPYXNU-UWJYYQICSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000531676972 1108065280 /nfs/dbraw/zinc/06/52/80/1108065280.db2.gz CQNCXISCQPYXNU-UWJYYQICSA-N 2 1 374.475 4.331 20 0 FIADMP COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000531700255 1108078612 /nfs/dbraw/zinc/07/86/12/1108078612.db2.gz ABDOJZZEIZLWJB-INIZCTEOSA-N 2 1 365.477 4.091 20 0 FIADMP CCC(CC)(C[NH2+][C@@H](C)C1(OC)CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000453106046 1108174341 /nfs/dbraw/zinc/17/43/41/1108174341.db2.gz CTSIYJZKPKIUPO-OALUTQOASA-N 2 1 362.558 4.070 20 0 FIADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000531785296 1108177728 /nfs/dbraw/zinc/17/77/28/1108177728.db2.gz WWFIRHXWVQWNMP-NQIIRXRSSA-N 2 1 367.537 4.225 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453155339 1108223973 /nfs/dbraw/zinc/22/39/73/1108223973.db2.gz BASAEAOBKMMIDY-MLNNCEHLSA-N 2 1 354.538 4.121 20 0 FIADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453171627 1108245816 /nfs/dbraw/zinc/24/58/16/1108245816.db2.gz MNZCYZXXGGYSMO-IDZYALCFSA-N 2 1 367.537 4.428 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2sccc21 ZINC000453197029 1108267098 /nfs/dbraw/zinc/26/70/98/1108267098.db2.gz MSFCCULGYPBWHB-PBEJRMEISA-N 2 1 370.562 4.433 20 0 FIADMP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000453217059 1108288996 /nfs/dbraw/zinc/28/89/96/1108288996.db2.gz DZWXCIJVDNLFMO-IBGZPJMESA-N 2 1 360.933 4.019 20 0 FIADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC000523554326 1108317617 /nfs/dbraw/zinc/31/76/17/1108317617.db2.gz MEXAEEWZPNXYKI-JOCHJYFZSA-N 2 1 350.506 4.183 20 0 FIADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)cc1 ZINC000523554326 1108317633 /nfs/dbraw/zinc/31/76/33/1108317633.db2.gz MEXAEEWZPNXYKI-JOCHJYFZSA-N 2 1 350.506 4.183 20 0 FIADMP COc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000453292271 1108367615 /nfs/dbraw/zinc/36/76/15/1108367615.db2.gz NHUINDMLBVAPGT-LDLYASANSA-N 2 1 371.912 4.029 20 0 FIADMP COc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1Cl ZINC000453292271 1108367627 /nfs/dbraw/zinc/36/76/27/1108367627.db2.gz NHUINDMLBVAPGT-LDLYASANSA-N 2 1 371.912 4.029 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)cc1 ZINC000531945443 1108390071 /nfs/dbraw/zinc/39/00/71/1108390071.db2.gz YUXFNWBSNSCHCG-FOIQADDNSA-N 2 1 354.523 4.196 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939141 1108416850 /nfs/dbraw/zinc/41/68/50/1108416850.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939141 1108416861 /nfs/dbraw/zinc/41/68/61/1108416861.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939141 1108416869 /nfs/dbraw/zinc/41/68/69/1108416869.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 3 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939141 1108416876 /nfs/dbraw/zinc/41/68/76/1108416876.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000531939141 1108416881 /nfs/dbraw/zinc/41/68/81/1108416881.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939141 1108416890 /nfs/dbraw/zinc/41/68/90/1108416890.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939141 1108416897 /nfs/dbraw/zinc/41/68/97/1108416897.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000531939141 1108416905 /nfs/dbraw/zinc/41/69/05/1108416905.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 2 1 357.586 4.269 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000531939141 1108416911 /nfs/dbraw/zinc/41/69/11/1108416911.db2.gz XOKDIVRYBJYSGO-PWHSHALESA-N 2 1 357.586 4.269 20 0 FIADMP COc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(F)cc2)cc1 ZINC000453355174 1108456822 /nfs/dbraw/zinc/45/68/22/1108456822.db2.gz OUIWQCJFRADBIK-GFSYIJCISA-N 2 1 354.469 4.139 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000453360458 1108465099 /nfs/dbraw/zinc/46/50/99/1108465099.db2.gz FMCGADVQVQKBCM-CEWLAPEOSA-N 2 1 353.510 4.017 20 0 FIADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000453360458 1108465105 /nfs/dbraw/zinc/46/51/05/1108465105.db2.gz FMCGADVQVQKBCM-CEWLAPEOSA-N 2 1 353.510 4.017 20 0 FIADMP CC[NH+](CC)Cc1cc([C@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1OC ZINC000453388514 1108473768 /nfs/dbraw/zinc/47/37/68/1108473768.db2.gz WOFFGNZOKRUJKD-PGRDOPGGSA-N 2 1 360.542 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969861 1108475963 /nfs/dbraw/zinc/47/59/63/1108475963.db2.gz LUVOPMMAOJRKDJ-ZFGGDYGUSA-N 3 1 371.613 4.040 20 0 FIADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531969861 1108475976 /nfs/dbraw/zinc/47/59/76/1108475976.db2.gz LUVOPMMAOJRKDJ-ZFGGDYGUSA-N 2 1 371.613 4.040 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@@]4(CCSC4)C3)CC2)cc1 ZINC000453366274 1108482589 /nfs/dbraw/zinc/48/25/89/1108482589.db2.gz PLNGJMQBGVULHJ-OAQYLSRUSA-N 2 1 362.558 4.052 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([N@H+]3CCC[C@@]4(CCSC4)C3)CC2)cc1 ZINC000453366274 1108482599 /nfs/dbraw/zinc/48/25/99/1108482599.db2.gz PLNGJMQBGVULHJ-OAQYLSRUSA-N 2 1 362.558 4.052 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000453410829 1108509763 /nfs/dbraw/zinc/50/97/63/1108509763.db2.gz VJGOMVSZLFNRCK-INIZCTEOSA-N 2 1 369.372 4.450 20 0 FIADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000532193182 1108701998 /nfs/dbraw/zinc/70/19/98/1108701998.db2.gz POZQRNXCZVCVGI-OALUTQOASA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000532193182 1108702007 /nfs/dbraw/zinc/70/20/07/1108702007.db2.gz POZQRNXCZVCVGI-OALUTQOASA-N 3 1 354.542 4.343 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000532193182 1108702017 /nfs/dbraw/zinc/70/20/17/1108702017.db2.gz POZQRNXCZVCVGI-OALUTQOASA-N 3 1 354.542 4.343 20 0 FIADMP CN(C)c1ccccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000525183075 1109293607 /nfs/dbraw/zinc/29/36/07/1109293607.db2.gz BOIFCNAXBGFYFT-UHFFFAOYSA-N 2 1 363.505 4.267 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000525183662 1109294106 /nfs/dbraw/zinc/29/41/06/1109294106.db2.gz POMDXMLDXBYDKJ-UHFFFAOYSA-N 2 1 360.461 4.078 20 0 FIADMP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000525183662 1109294113 /nfs/dbraw/zinc/29/41/13/1109294113.db2.gz POMDXMLDXBYDKJ-UHFFFAOYSA-N 2 1 360.461 4.078 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000525183662 1109294116 /nfs/dbraw/zinc/29/41/16/1109294116.db2.gz POMDXMLDXBYDKJ-UHFFFAOYSA-N 2 1 360.461 4.078 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc4ccccc4c3)C2)CC1 ZINC000525267306 1109324947 /nfs/dbraw/zinc/32/49/47/1109324947.db2.gz NGQUMVROUFAXFK-XXBNENTESA-N 2 1 351.538 4.001 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000446921212 1109390396 /nfs/dbraw/zinc/39/03/96/1109390396.db2.gz QPAAIFGNRCIOLU-KJXAQDMKSA-N 2 1 374.532 4.389 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000446921212 1109390401 /nfs/dbraw/zinc/39/04/01/1109390401.db2.gz QPAAIFGNRCIOLU-KJXAQDMKSA-N 2 1 374.532 4.389 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446938447 1109396093 /nfs/dbraw/zinc/39/60/93/1109396093.db2.gz ISHVNTZDOPYZPA-KRWDZBQOSA-N 2 1 369.734 4.405 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000525858456 1109541251 /nfs/dbraw/zinc/54/12/51/1109541251.db2.gz PMIUEFAWHVRUAM-MAODMQOUSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000525858456 1109541255 /nfs/dbraw/zinc/54/12/55/1109541255.db2.gz PMIUEFAWHVRUAM-MAODMQOUSA-N 2 1 354.469 4.150 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000447530635 1109563704 /nfs/dbraw/zinc/56/37/04/1109563704.db2.gz NDOUSWWDFJAKNI-IAGOWNOFSA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000447530635 1109563708 /nfs/dbraw/zinc/56/37/08/1109563708.db2.gz NDOUSWWDFJAKNI-IAGOWNOFSA-N 2 1 370.493 4.149 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(F)F)cc3)cc2)CC1 ZINC000525980924 1109580532 /nfs/dbraw/zinc/58/05/32/1109580532.db2.gz QJEVDOYCOUBWIY-UHFFFAOYSA-N 2 1 373.491 4.052 20 0 FIADMP COCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000447593565 1109590476 /nfs/dbraw/zinc/59/04/76/1109590476.db2.gz SYTGBRZSBYQTOV-WOZUAGRISA-N 2 1 354.494 4.142 20 0 FIADMP COCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000447593565 1109590479 /nfs/dbraw/zinc/59/04/79/1109590479.db2.gz SYTGBRZSBYQTOV-WOZUAGRISA-N 2 1 354.494 4.142 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508605164 1109605529 /nfs/dbraw/zinc/60/55/29/1109605529.db2.gz RXVRMVURJYRYFV-OTWHNJEPSA-N 2 1 357.542 4.118 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000526108195 1109623599 /nfs/dbraw/zinc/62/35/99/1109623599.db2.gz ZSDIKLDKLJXOMM-DJPFJPOOSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000526108195 1109623600 /nfs/dbraw/zinc/62/36/00/1109623600.db2.gz ZSDIKLDKLJXOMM-DJPFJPOOSA-N 2 1 354.469 4.150 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360868 1109749458 /nfs/dbraw/zinc/74/94/58/1109749458.db2.gz MKDPHSGROKCGSR-NFBKMPQASA-N 2 1 352.522 4.346 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000527360868 1109749462 /nfs/dbraw/zinc/74/94/62/1109749462.db2.gz MKDPHSGROKCGSR-NFBKMPQASA-N 2 1 352.522 4.346 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448346356 1109778341 /nfs/dbraw/zinc/77/83/41/1109778341.db2.gz XSVPGZIGMUWENC-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)C[C@H](C)O1 ZINC000527634045 1109790923 /nfs/dbraw/zinc/79/09/23/1109790923.db2.gz JAXTWIHBFBALOM-HDICACEKSA-N 2 1 363.505 4.067 20 0 FIADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000449089884 1109978432 /nfs/dbraw/zinc/97/84/32/1109978432.db2.gz LPOMJGCQCYFQLB-UHFFFAOYSA-N 2 1 359.322 4.285 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449092103 1109978818 /nfs/dbraw/zinc/97/88/18/1109978818.db2.gz LHGMOZBZCZCZFW-VQCLRJIVSA-N 2 1 369.322 4.156 20 0 FIADMP COCc1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)ccc1F ZINC000449119771 1109980463 /nfs/dbraw/zinc/98/04/63/1109980463.db2.gz AVFRBGSEERFLSQ-GOSISDBHSA-N 2 1 370.512 4.157 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CCC(OC4CCCC4)CC3)C2)cc1 ZINC000449123548 1109980919 /nfs/dbraw/zinc/98/09/19/1109980919.db2.gz NODYKDZIUJKRSN-ZLHNRXBCSA-N 2 1 370.581 4.411 20 0 FIADMP COc1cccc2c(C[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)cccc12 ZINC000449145284 1109984732 /nfs/dbraw/zinc/98/47/32/1109984732.db2.gz WSZOVWDSMONEDN-UHFFFAOYSA-N 2 1 361.489 4.310 20 0 FIADMP COc1cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc2ccccc21 ZINC000449145407 1109985069 /nfs/dbraw/zinc/98/50/69/1109985069.db2.gz XTXKSJIJLOHHGG-UHFFFAOYSA-N 2 1 361.489 4.310 20 0 FIADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449148528 1109985519 /nfs/dbraw/zinc/98/55/19/1109985519.db2.gz KJCVAKFGOKYGBP-NHCUHLMSSA-N 2 1 362.945 4.102 20 0 FIADMP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1c(C)nn(C)c1C ZINC000449168482 1109991074 /nfs/dbraw/zinc/99/10/74/1109991074.db2.gz DOELHSWQIMNOAI-HTAPYJJXSA-N 2 1 368.569 4.173 20 0 FIADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449180885 1109993315 /nfs/dbraw/zinc/99/33/15/1109993315.db2.gz CUBKMISBFRGAPL-OALUTQOASA-N 2 1 366.553 4.244 20 0 FIADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000449326554 1110026727 /nfs/dbraw/zinc/02/67/27/1110026727.db2.gz XDMJLGJMMUOZMR-MRXNPFEDSA-N 2 1 359.514 4.113 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342833 1110034683 /nfs/dbraw/zinc/03/46/83/1110034683.db2.gz FPURWCPKRWRPQF-YADHBBJMSA-N 2 1 356.554 4.084 20 0 FIADMP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414241 1110055987 /nfs/dbraw/zinc/05/59/87/1110055987.db2.gz LRRNHBRZZNUNIZ-IRLDBZIGSA-N 2 1 356.554 4.036 20 0 FIADMP CC1(C)C[N@H+](Cc2cscn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416689 1110056633 /nfs/dbraw/zinc/05/66/33/1110056633.db2.gz VCAULMMSVXLXHB-FQEVSTJZSA-N 2 1 355.551 4.266 20 0 FIADMP CC1(C)C[N@@H+](Cc2cscn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416689 1110056642 /nfs/dbraw/zinc/05/66/42/1110056642.db2.gz VCAULMMSVXLXHB-FQEVSTJZSA-N 2 1 355.551 4.266 20 0 FIADMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416287 1110056889 /nfs/dbraw/zinc/05/68/89/1110056889.db2.gz SQPOOKRHOLIBJF-RBBKRZOGSA-N 2 1 356.554 4.036 20 0 FIADMP CC(C)n1cc(C2=CCC[N@H+](C3CC[NH+](C4CCCCC4)CC3)CC2)nn1 ZINC000449476523 1110084407 /nfs/dbraw/zinc/08/44/07/1110084407.db2.gz ZQMIPFUIHVZNMO-UHFFFAOYSA-N 2 1 371.573 4.135 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000449478403 1110085206 /nfs/dbraw/zinc/08/52/06/1110085206.db2.gz KCKOWOICXAGURL-LDVJMBRRSA-N 2 1 368.565 4.226 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449542305 1110100642 /nfs/dbraw/zinc/10/06/42/1110100642.db2.gz QEPOCGOZVGMBBX-FGZHOGPDSA-N 2 1 367.537 4.050 20 0 FIADMP Cc1cc(Br)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000449560295 1110111163 /nfs/dbraw/zinc/11/11/63/1110111163.db2.gz IZXHBKPUXAJLHQ-AGUYFDCRSA-N 2 1 357.723 4.126 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000538407274 1111118490 /nfs/dbraw/zinc/11/84/90/1111118490.db2.gz RXIUVMBSKVPOFR-JTSKRJEESA-N 2 1 356.485 4.156 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@@H+]1C ZINC000538717851 1111260596 /nfs/dbraw/zinc/26/05/96/1111260596.db2.gz DQFBPLBMSVJXRB-YLJYHZDGSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCc3ccccc3F)c2)CC[N@H+]1C ZINC000538717851 1111260598 /nfs/dbraw/zinc/26/05/98/1111260598.db2.gz DQFBPLBMSVJXRB-YLJYHZDGSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717851 1111260599 /nfs/dbraw/zinc/26/05/99/1111260599.db2.gz DQFBPLBMSVJXRB-YLJYHZDGSA-N 2 1 356.485 4.319 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC[NH+]1C ZINC000538717851 1111260601 /nfs/dbraw/zinc/26/06/01/1111260601.db2.gz DQFBPLBMSVJXRB-YLJYHZDGSA-N 2 1 356.485 4.319 20 0 FIADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000538719799 1111260910 /nfs/dbraw/zinc/26/09/10/1111260910.db2.gz JCGUBJNWXQNNHF-JOCHJYFZSA-N 2 1 350.506 4.183 20 0 FIADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000538719799 1111260913 /nfs/dbraw/zinc/26/09/13/1111260913.db2.gz JCGUBJNWXQNNHF-JOCHJYFZSA-N 2 1 350.506 4.183 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746665 1111278961 /nfs/dbraw/zinc/27/89/61/1111278961.db2.gz RCVVIQFBZDPNJC-DXIQSLLYSA-N 2 1 351.538 4.314 20 0 FIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746665 1111278967 /nfs/dbraw/zinc/27/89/67/1111278967.db2.gz RCVVIQFBZDPNJC-DXIQSLLYSA-N 2 1 351.538 4.314 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Oc1cccnc1 ZINC000538751400 1111281501 /nfs/dbraw/zinc/28/15/01/1111281501.db2.gz KBLRMXVQEREGQV-OAQYLSRUSA-N 2 1 365.521 4.490 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Oc1cccnc1 ZINC000538751400 1111281504 /nfs/dbraw/zinc/28/15/04/1111281504.db2.gz KBLRMXVQEREGQV-OAQYLSRUSA-N 2 1 365.521 4.490 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760860 1111289911 /nfs/dbraw/zinc/28/99/11/1111289911.db2.gz PYLPLXBOFURGAH-ZWKOTPCHSA-N 2 1 357.567 4.377 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760860 1111289913 /nfs/dbraw/zinc/28/99/13/1111289913.db2.gz PYLPLXBOFURGAH-ZWKOTPCHSA-N 2 1 357.567 4.377 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)oc2cc1C ZINC000539059914 1111405284 /nfs/dbraw/zinc/40/52/84/1111405284.db2.gz PDVUQJFVHQWUTO-PWIZWCRZSA-N 2 1 356.510 4.078 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)oc2cc1C ZINC000539059914 1111405288 /nfs/dbraw/zinc/40/52/88/1111405288.db2.gz PDVUQJFVHQWUTO-PWIZWCRZSA-N 2 1 356.510 4.078 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000539062131 1111408113 /nfs/dbraw/zinc/40/81/13/1111408113.db2.gz SXRXXFPVHANDKL-QAPCUYQASA-N 2 1 365.359 4.191 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1Cl ZINC000539047846 1111411701 /nfs/dbraw/zinc/41/17/01/1111411701.db2.gz XRMXTBQWHKNRRP-HZPDHXFCSA-N 2 1 368.949 4.376 20 0 FIADMP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000539047846 1111411703 /nfs/dbraw/zinc/41/17/03/1111411703.db2.gz XRMXTBQWHKNRRP-HZPDHXFCSA-N 2 1 368.949 4.376 20 0 FIADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC1CCCC1 ZINC000539089804 1111427406 /nfs/dbraw/zinc/42/74/06/1111427406.db2.gz INVYQVLVOQEQTG-UHFFFAOYSA-N 2 1 360.542 4.369 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462036584 1111468910 /nfs/dbraw/zinc/46/89/10/1111468910.db2.gz FIWQYZZGMUFCSH-NRFANRHFSA-N 2 1 368.521 4.062 20 0 FIADMP Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000552056189 1111559956 /nfs/dbraw/zinc/55/99/56/1111559956.db2.gz VWGDNNFWMGWYJE-YFNKSVMNSA-N 2 1 363.549 4.213 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000552067385 1111565474 /nfs/dbraw/zinc/56/54/74/1111565474.db2.gz IGUTUHUGTUSKFG-BWWMBTDCSA-N 2 1 356.554 4.224 20 0 FIADMP Clc1cc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c(Cl)c1 ZINC000477867462 1111583552 /nfs/dbraw/zinc/58/35/52/1111583552.db2.gz UCWSHUSEOJQNHC-CABCVRRESA-N 2 1 352.309 4.234 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000552246222 1111636771 /nfs/dbraw/zinc/63/67/71/1111636771.db2.gz NDWZYJMZYUOLSB-VQTJNVASSA-N 2 1 364.961 4.457 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552527116 1111738353 /nfs/dbraw/zinc/73/83/53/1111738353.db2.gz YZMNLSBCSYFWOF-FQEVSTJZSA-N 2 1 371.569 4.057 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000479422339 1112015491 /nfs/dbraw/zinc/01/54/91/1112015491.db2.gz LITRPWZHVNTOPO-SFHVURJKSA-N 2 1 353.510 4.111 20 0 FIADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)ccc1F ZINC000479438047 1112023131 /nfs/dbraw/zinc/02/31/31/1112023131.db2.gz NRSRHHFKXQTKGD-DENIHFKCSA-N 2 1 374.475 4.018 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449112 1112027152 /nfs/dbraw/zinc/02/71/52/1112027152.db2.gz UGCLSARJYOXCSM-WIYYLYMNSA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449112 1112027157 /nfs/dbraw/zinc/02/71/57/1112027157.db2.gz UGCLSARJYOXCSM-WIYYLYMNSA-N 2 1 358.913 4.139 20 0 FIADMP COC1CCC(C)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000479450349 1112027740 /nfs/dbraw/zinc/02/77/40/1112027740.db2.gz FKIWAIXBOXIQBG-MATYFGLISA-N 2 1 356.554 4.367 20 0 FIADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479460998 1112032396 /nfs/dbraw/zinc/03/23/96/1112032396.db2.gz AGNNTGHITLJLQP-WIYYLYMNSA-N 2 1 354.469 4.151 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)C2)cc1 ZINC000479462536 1112032892 /nfs/dbraw/zinc/03/28/92/1112032892.db2.gz GHJDIKSZNREOAQ-AKFKNWHVSA-N 2 1 364.533 4.266 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464291 1112034839 /nfs/dbraw/zinc/03/48/39/1112034839.db2.gz LPCSBUDWUKUGQD-CTNGQTDRSA-N 2 1 360.505 4.045 20 0 FIADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466323 1112041668 /nfs/dbraw/zinc/04/16/68/1112041668.db2.gz RNJXXHOVNAUDEW-IFMALSPDSA-N 2 1 350.506 4.320 20 0 FIADMP COc1c(Br)cccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479547086 1112065323 /nfs/dbraw/zinc/06/53/23/1112065323.db2.gz APHWUFLCDWDFQA-OAHLLOKOSA-N 2 1 369.347 4.059 20 0 FIADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCc2cccnc2)cc1 ZINC000479778507 1112132968 /nfs/dbraw/zinc/13/29/68/1112132968.db2.gz KHAQMMYBIKNZEV-UHFFFAOYSA-N 2 1 361.489 4.012 20 0 FIADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000479853709 1112162581 /nfs/dbraw/zinc/16/25/81/1112162581.db2.gz RFBBCNBAMLJAFB-AWEZNQCLSA-N 2 1 357.361 4.163 20 0 FIADMP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000479904382 1112191908 /nfs/dbraw/zinc/19/19/08/1112191908.db2.gz PWBHXRZZJAPKJA-IBGZPJMESA-N 2 1 368.521 4.158 20 0 FIADMP Cc1c([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907147 1112192483 /nfs/dbraw/zinc/19/24/83/1112192483.db2.gz AYGYFLSRBSIGDE-DLBZAZTESA-N 2 1 358.505 4.235 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907147 1112192486 /nfs/dbraw/zinc/19/24/86/1112192486.db2.gz AYGYFLSRBSIGDE-DLBZAZTESA-N 2 1 358.505 4.235 20 0 FIADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000479907147 1112192489 /nfs/dbraw/zinc/19/24/89/1112192489.db2.gz AYGYFLSRBSIGDE-DLBZAZTESA-N 2 1 358.505 4.235 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000480145444 1112300591 /nfs/dbraw/zinc/30/05/91/1112300591.db2.gz SOPXZKFONCVBBD-QGZVFWFLSA-N 2 1 367.331 4.127 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554373011 1112324390 /nfs/dbraw/zinc/32/43/90/1112324390.db2.gz BNJKMQALRWFQCG-UTAOTPEMSA-N 2 1 354.469 4.148 20 0 FIADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554373011 1112324392 /nfs/dbraw/zinc/32/43/92/1112324392.db2.gz BNJKMQALRWFQCG-UTAOTPEMSA-N 2 1 354.469 4.148 20 0 FIADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000480222596 1112337590 /nfs/dbraw/zinc/33/75/90/1112337590.db2.gz BIZRUUVFNBCPEQ-SFHVURJKSA-N 2 1 355.551 4.121 20 0 FIADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000480222596 1112337595 /nfs/dbraw/zinc/33/75/95/1112337595.db2.gz BIZRUUVFNBCPEQ-SFHVURJKSA-N 2 1 355.551 4.121 20 0 FIADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCCC(C)C ZINC000480228902 1112340254 /nfs/dbraw/zinc/34/02/54/1112340254.db2.gz KLRQQJXJQOVZJN-QGZVFWFLSA-N 2 1 360.542 4.398 20 0 FIADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000480231850 1112343340 /nfs/dbraw/zinc/34/33/40/1112343340.db2.gz OACUSKYLWZYGKN-OAQYLSRUSA-N 2 1 368.521 4.193 20 0 FIADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000480231850 1112343344 /nfs/dbraw/zinc/34/33/44/1112343344.db2.gz OACUSKYLWZYGKN-OAQYLSRUSA-N 2 1 368.521 4.193 20 0 FIADMP Cc1ncsc1-c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000667681603 1112446220 /nfs/dbraw/zinc/44/62/20/1112446220.db2.gz MRKCQAZIJFTFAY-IBGZPJMESA-N 2 1 355.551 4.282 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681603 1112446222 /nfs/dbraw/zinc/44/62/22/1112446222.db2.gz MRKCQAZIJFTFAY-IBGZPJMESA-N 2 1 355.551 4.282 20 0 FIADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000667681603 1112446225 /nfs/dbraw/zinc/44/62/25/1112446225.db2.gz MRKCQAZIJFTFAY-IBGZPJMESA-N 2 1 355.551 4.282 20 0 FIADMP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)CC(C)C ZINC000480525609 1112458358 /nfs/dbraw/zinc/45/83/58/1112458358.db2.gz LZKPQLFWEONRNO-KPRXVCGWSA-N 2 1 371.569 4.165 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000480610035 1112500517 /nfs/dbraw/zinc/50/05/17/1112500517.db2.gz NFSXGSVCKLNXTF-HSALFYBXSA-N 2 1 354.542 4.281 20 0 FIADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccc1OC(F)F ZINC000480606303 1112506767 /nfs/dbraw/zinc/50/67/67/1112506767.db2.gz CSQZKNKBVODTMD-HZPDHXFCSA-N 2 1 370.484 4.459 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000480645940 1112520071 /nfs/dbraw/zinc/52/00/71/1112520071.db2.gz YFCKGCXDUKPTJN-GBAAUQCPSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645940 1112520072 /nfs/dbraw/zinc/52/00/72/1112520072.db2.gz YFCKGCXDUKPTJN-GBAAUQCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645940 1112520074 /nfs/dbraw/zinc/52/00/74/1112520074.db2.gz YFCKGCXDUKPTJN-GBAAUQCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645940 1112520075 /nfs/dbraw/zinc/52/00/75/1112520075.db2.gz YFCKGCXDUKPTJN-GBAAUQCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480645940 1112520082 /nfs/dbraw/zinc/52/00/82/1112520082.db2.gz YFCKGCXDUKPTJN-GBAAUQCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480636187 1112524528 /nfs/dbraw/zinc/52/45/28/1112524528.db2.gz CZKZLUPZGJAURZ-FGTMMUONSA-N 2 1 371.569 4.325 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000480695919 1112558769 /nfs/dbraw/zinc/55/87/69/1112558769.db2.gz UXKISIBONJZOAO-GOSISDBHSA-N 2 1 371.956 4.328 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745815 1112583073 /nfs/dbraw/zinc/58/30/73/1112583073.db2.gz OWNJKWRUYOTLID-IHPCNDPISA-N 2 1 352.526 4.075 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000480745815 1112583077 /nfs/dbraw/zinc/58/30/77/1112583077.db2.gz OWNJKWRUYOTLID-IHPCNDPISA-N 2 1 352.526 4.075 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994466 1112605519 /nfs/dbraw/zinc/60/55/19/1112605519.db2.gz QAOJRMNJWQZHRA-DYESRHJHSA-N 2 1 352.526 4.046 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994466 1112605526 /nfs/dbraw/zinc/60/55/26/1112605526.db2.gz QAOJRMNJWQZHRA-DYESRHJHSA-N 2 1 352.526 4.046 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480810379 1112615784 /nfs/dbraw/zinc/61/57/84/1112615784.db2.gz DYVQUYMOWXFHPL-XXBNENTESA-N 2 1 352.522 4.223 20 0 FIADMP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000480888920 1112648781 /nfs/dbraw/zinc/64/87/81/1112648781.db2.gz JAEIKYPQOQTZSA-QHCPKHFHSA-N 2 1 351.538 4.065 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000480879154 1112652364 /nfs/dbraw/zinc/65/23/64/1112652364.db2.gz GTSJJGZYQLYZKE-PXNSSMCTSA-N 2 1 366.977 4.344 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC001649004382 1112661751 /nfs/dbraw/zinc/66/17/51/1112661751.db2.gz FNDSLJKJLJLFPY-HYBUGGRVSA-N 2 1 369.597 4.141 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001649004382 1112661753 /nfs/dbraw/zinc/66/17/53/1112661753.db2.gz FNDSLJKJLJLFPY-HYBUGGRVSA-N 2 1 369.597 4.141 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)C1 ZINC000481302050 1112887948 /nfs/dbraw/zinc/88/79/48/1112887948.db2.gz BYJKTPLNOAJDCV-AEFFLSMTSA-N 2 1 355.551 4.427 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333328 1112903915 /nfs/dbraw/zinc/90/39/15/1112903915.db2.gz SKHUQKFBBCQUAQ-HKUYNNGSSA-N 2 1 356.485 4.397 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]CC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000555611995 1112946689 /nfs/dbraw/zinc/94/66/89/1112946689.db2.gz FZSOBJSVZBLWFW-QFIPXVFZSA-N 2 1 356.554 4.085 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554046 1112976339 /nfs/dbraw/zinc/97/63/39/1112976339.db2.gz WVOUNFVULUGPNK-WZONZLPQSA-N 2 1 364.533 4.420 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)c2)CCO1 ZINC000481554046 1112976340 /nfs/dbraw/zinc/97/63/40/1112976340.db2.gz WVOUNFVULUGPNK-WZONZLPQSA-N 2 1 364.533 4.420 20 0 FIADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000481556792 1112980341 /nfs/dbraw/zinc/98/03/41/1112980341.db2.gz KJMHXPAYXRAOOF-CRAIPNDOSA-N 2 1 354.460 4.447 20 0 FIADMP FC(F)(F)Oc1ccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c2c1 ZINC000899874703 1113037992 /nfs/dbraw/zinc/03/79/92/1113037992.db2.gz JFZQEDPRACKMBC-CHWSQXEVSA-N 2 1 351.372 4.172 20 0 FIADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000481996049 1113151637 /nfs/dbraw/zinc/15/16/37/1113151637.db2.gz ZOLANJMSVSNUCR-OFNKIYASSA-N 2 1 364.533 4.156 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000482074767 1113172097 /nfs/dbraw/zinc/17/20/97/1113172097.db2.gz KYNHVFUTXQYOBK-VWNVYAMZSA-N 2 1 362.533 4.188 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000482076165 1113172175 /nfs/dbraw/zinc/17/21/75/1113172175.db2.gz CTWAVPBLZWTTGH-JXFKEZNVSA-N 2 1 357.567 4.057 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCc1c(Cl)cccc1Cl ZINC000482172182 1113192336 /nfs/dbraw/zinc/19/23/36/1113192336.db2.gz RSCZTRSEVPAJRF-NIKGAXFTSA-N 2 1 371.352 4.110 20 0 FIADMP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000482220807 1113202490 /nfs/dbraw/zinc/20/24/90/1113202490.db2.gz NPJLHWSDVKZDCZ-XXBNENTESA-N 2 1 364.533 4.054 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1Cc1ccccc1 ZINC000482212496 1113203004 /nfs/dbraw/zinc/20/30/04/1113203004.db2.gz QBTUTPFDEZZLMT-XXBNENTESA-N 2 1 364.533 4.197 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@H+]1Cc1ccccc1 ZINC000482212496 1113203006 /nfs/dbraw/zinc/20/30/06/1113203006.db2.gz QBTUTPFDEZZLMT-XXBNENTESA-N 2 1 364.533 4.197 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000482231227 1113204735 /nfs/dbraw/zinc/20/47/35/1113204735.db2.gz VKJNMCBAUSHMGL-IBGZPJMESA-N 2 1 364.533 4.369 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000482257993 1113208957 /nfs/dbraw/zinc/20/89/57/1113208957.db2.gz KMAWIKOVIQAVKY-XLIONFOSSA-N 2 1 357.567 4.274 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000482257993 1113208960 /nfs/dbraw/zinc/20/89/60/1113208960.db2.gz KMAWIKOVIQAVKY-XLIONFOSSA-N 2 1 357.567 4.274 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326632 1113226423 /nfs/dbraw/zinc/22/64/23/1113226423.db2.gz ZDZURPNMNTWDMG-KDOFPFPSSA-N 2 1 356.432 4.283 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000482345928 1113230993 /nfs/dbraw/zinc/23/09/93/1113230993.db2.gz SURIJBXDBAMLFI-FZKQIMNGSA-N 2 1 369.322 4.286 20 0 FIADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCCO2 ZINC000482438996 1113260352 /nfs/dbraw/zinc/26/03/52/1113260352.db2.gz NWLQIUWJEUXNBY-GGAORHGYSA-N 2 1 364.533 4.363 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451276 1113263638 /nfs/dbraw/zinc/26/36/38/1113263638.db2.gz RXCFWQDHBBSMNC-NZQKXSOJSA-N 2 1 352.522 4.301 20 0 FIADMP CC(C)C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000482550508 1113291855 /nfs/dbraw/zinc/29/18/55/1113291855.db2.gz FVYNKLFCKYMLKN-FQEVSTJZSA-N 2 1 351.966 4.044 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c1 ZINC000482561998 1113296959 /nfs/dbraw/zinc/29/69/59/1113296959.db2.gz LUSQRHGZUWPKBS-UHFFFAOYSA-N 2 1 370.928 4.357 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)c1 ZINC000482561998 1113296962 /nfs/dbraw/zinc/29/69/62/1113296962.db2.gz LUSQRHGZUWPKBS-UHFFFAOYSA-N 2 1 370.928 4.357 20 0 FIADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482866612 1113381639 /nfs/dbraw/zinc/38/16/39/1113381639.db2.gz MDSXKEQSFHUWHL-QFBILLFUSA-N 2 1 358.551 4.105 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2ccccc2)c1 ZINC000482883669 1113391896 /nfs/dbraw/zinc/39/18/96/1113391896.db2.gz AJDHXUOMHUKMDX-CVDCTZTESA-N 2 1 352.522 4.241 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(OCCCc3ccccc3)c2)CC[N@H+]1C ZINC000482907816 1113396599 /nfs/dbraw/zinc/39/65/99/1113396599.db2.gz ZDWINZXQEXRWAC-NZQKXSOJSA-N 2 1 366.549 4.313 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000568123961 1113399778 /nfs/dbraw/zinc/39/97/78/1113399778.db2.gz IDAHGVDQMMZGNR-SFHVURJKSA-N 2 1 362.315 4.401 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000668166849 1113401667 /nfs/dbraw/zinc/40/16/67/1113401667.db2.gz JUUMIPMMWFRCRL-UHFFFAOYSA-N 2 1 354.429 4.040 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000668166849 1113401668 /nfs/dbraw/zinc/40/16/68/1113401668.db2.gz JUUMIPMMWFRCRL-UHFFFAOYSA-N 2 1 354.429 4.040 20 0 FIADMP CCc1cccc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4CCOC)oc21 ZINC000668196298 1113431882 /nfs/dbraw/zinc/43/18/82/1113431882.db2.gz IIYQERZTUNOFBJ-YOFSQIOKSA-N 2 1 356.510 4.069 20 0 FIADMP CCc1cccc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4CCOC)oc21 ZINC000668196298 1113431884 /nfs/dbraw/zinc/43/18/84/1113431884.db2.gz IIYQERZTUNOFBJ-YOFSQIOKSA-N 2 1 356.510 4.069 20 0 FIADMP CCc1cccc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4CCOC)oc21 ZINC000668196298 1113431888 /nfs/dbraw/zinc/43/18/88/1113431888.db2.gz IIYQERZTUNOFBJ-YOFSQIOKSA-N 2 1 356.510 4.069 20 0 FIADMP CCc1cccc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4CCOC)oc21 ZINC000668196298 1113431889 /nfs/dbraw/zinc/43/18/89/1113431889.db2.gz IIYQERZTUNOFBJ-YOFSQIOKSA-N 2 1 356.510 4.069 20 0 FIADMP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000483159846 1113451104 /nfs/dbraw/zinc/45/11/04/1113451104.db2.gz SNJJFVFKFIFQJB-VGSWGCGISA-N 2 1 350.506 4.498 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176221 1113457696 /nfs/dbraw/zinc/45/76/96/1113457696.db2.gz NCKTUSXZLUZQHI-NEWSRXKRSA-N 2 1 372.475 4.349 20 0 FIADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000483176221 1113457700 /nfs/dbraw/zinc/45/77/00/1113457700.db2.gz NCKTUSXZLUZQHI-NEWSRXKRSA-N 2 1 372.475 4.349 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182244 1113458883 /nfs/dbraw/zinc/45/88/83/1113458883.db2.gz YIPZSUVOLSBJIB-GARXJVFOSA-N 2 1 358.448 4.101 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483182244 1113458887 /nfs/dbraw/zinc/45/88/87/1113458887.db2.gz YIPZSUVOLSBJIB-GARXJVFOSA-N 2 1 358.448 4.101 20 0 FIADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1cccc(Br)c1 ZINC000483220415 1113467839 /nfs/dbraw/zinc/46/78/39/1113467839.db2.gz WUEXXPPPWAGLJF-RVKKMQEKSA-N 2 1 353.348 4.090 20 0 FIADMP COc1ccc2oc(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374956 1113556185 /nfs/dbraw/zinc/55/61/85/1113556185.db2.gz MTIGZBKBAUKKQX-IEBWSBKVSA-N 2 1 364.489 4.442 20 0 FIADMP COc1ccc2oc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000486374956 1113556189 /nfs/dbraw/zinc/55/61/89/1113556189.db2.gz MTIGZBKBAUKKQX-IEBWSBKVSA-N 2 1 364.489 4.442 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486381622 1113557250 /nfs/dbraw/zinc/55/72/50/1113557250.db2.gz YFHZXQZYVIZTLJ-QFBILLFUSA-N 2 1 355.551 4.411 20 0 FIADMP C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486381622 1113557253 /nfs/dbraw/zinc/55/72/53/1113557253.db2.gz YFHZXQZYVIZTLJ-QFBILLFUSA-N 2 1 355.551 4.411 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486535282 1113591488 /nfs/dbraw/zinc/59/14/88/1113591488.db2.gz JBOBSMPTCQVGHJ-PXNSSMCTSA-N 2 1 374.475 4.331 20 0 FIADMP C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708702 1113626825 /nfs/dbraw/zinc/62/68/25/1113626825.db2.gz KDCLBLUVLKJJPN-APWZRJJASA-N 2 1 351.469 4.307 20 0 FIADMP CC(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000486935424 1113684008 /nfs/dbraw/zinc/68/40/08/1113684008.db2.gz IZCVSFQNZPNFGA-UHFFFAOYSA-N 2 1 366.431 4.058 20 0 FIADMP C[C@H]([NH2+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCCC1)c1ccccc1 ZINC000488105747 1113855794 /nfs/dbraw/zinc/85/57/94/1113855794.db2.gz CXWCNSXYVJRYRQ-MJUUVYJYSA-N 2 1 354.538 4.197 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@H](C(C)C)C3)CC2)cs1 ZINC000488414858 1113927309 /nfs/dbraw/zinc/92/73/09/1113927309.db2.gz RMXSKGZCHWKOBJ-AEFFLSMTSA-N 2 1 367.628 4.037 20 0 FIADMP Cc1ccc(C)c([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccccc2)c1 ZINC000491010661 1114359764 /nfs/dbraw/zinc/35/97/64/1114359764.db2.gz UEHHGVTZTOMRLM-DEOSSOPVSA-N 2 1 365.565 4.010 20 0 FIADMP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058347 1114367876 /nfs/dbraw/zinc/36/78/76/1114367876.db2.gz GNNHYZKGYBQOQN-GOSISDBHSA-N 2 1 355.501 4.462 20 0 FIADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058347 1114367881 /nfs/dbraw/zinc/36/78/81/1114367881.db2.gz GNNHYZKGYBQOQN-GOSISDBHSA-N 2 1 355.501 4.462 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1scnc1C1CC1 ZINC000509453533 1114526307 /nfs/dbraw/zinc/52/63/07/1114526307.db2.gz YYTHAOKKYSXMFW-IBGZPJMESA-N 2 1 355.551 4.411 20 0 FIADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cncc(Br)c1 ZINC000571897898 1114544640 /nfs/dbraw/zinc/54/46/40/1114544640.db2.gz YVYLGHCSUPYYOX-CQSZACIVSA-N 2 1 354.336 4.149 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cncc(Br)c1 ZINC000571897898 1114544641 /nfs/dbraw/zinc/54/46/41/1114544641.db2.gz YVYLGHCSUPYYOX-CQSZACIVSA-N 2 1 354.336 4.149 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cncc(Br)c1 ZINC000571897898 1114544643 /nfs/dbraw/zinc/54/46/43/1114544643.db2.gz YVYLGHCSUPYYOX-CQSZACIVSA-N 2 1 354.336 4.149 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686302 1114598980 /nfs/dbraw/zinc/59/89/80/1114598980.db2.gz COIXBOWPOLILHN-RTWAWAEBSA-N 2 1 360.929 4.120 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686302 1114598983 /nfs/dbraw/zinc/59/89/83/1114598983.db2.gz COIXBOWPOLILHN-RTWAWAEBSA-N 2 1 360.929 4.120 20 0 FIADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000588710056 1114601749 /nfs/dbraw/zinc/60/17/49/1114601749.db2.gz PEESBIJSROAVGP-IYBDPMFKSA-N 2 1 370.459 4.027 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)C/C(C)=C\c2ccccc2OC(F)F)C[C@H]1C ZINC000572211986 1114622434 /nfs/dbraw/zinc/62/24/34/1114622434.db2.gz NXBDIZQVHVJWNY-ZDSWQNORSA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2OC(F)F)C[C@H]1C ZINC000572211986 1114622436 /nfs/dbraw/zinc/62/24/36/1114622436.db2.gz NXBDIZQVHVJWNY-ZDSWQNORSA-N 2 1 352.469 4.496 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)C/C(C)=C\c2ccccc2OC(F)F)C[C@H]1C ZINC000572211986 1114622437 /nfs/dbraw/zinc/62/24/37/1114622437.db2.gz NXBDIZQVHVJWNY-ZDSWQNORSA-N 2 1 352.469 4.496 20 0 FIADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000590786261 1114974033 /nfs/dbraw/zinc/97/40/33/1114974033.db2.gz LIVNSLCHDOKZFM-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000590786261 1114974036 /nfs/dbraw/zinc/97/40/36/1114974036.db2.gz LIVNSLCHDOKZFM-UHFFFAOYSA-N 2 1 357.311 4.140 20 0 FIADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786159 1114974279 /nfs/dbraw/zinc/97/42/79/1114974279.db2.gz DMKCSAPNKDCLNN-GOSISDBHSA-N 2 1 373.585 4.191 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609578 1115146521 /nfs/dbraw/zinc/14/65/21/1115146521.db2.gz BRYBNLGBFNXSNI-DZGCQCFKSA-N 2 1 374.941 4.275 20 0 FIADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000573609578 1115146527 /nfs/dbraw/zinc/14/65/27/1115146527.db2.gz BRYBNLGBFNXSNI-DZGCQCFKSA-N 2 1 374.941 4.275 20 0 FIADMP CSc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573651933 1115161476 /nfs/dbraw/zinc/16/14/76/1115161476.db2.gz QUWVXTYCICXBIE-QZTJIDSGSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573651933 1115161478 /nfs/dbraw/zinc/16/14/78/1115161478.db2.gz QUWVXTYCICXBIE-QZTJIDSGSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573651933 1115161479 /nfs/dbraw/zinc/16/14/79/1115161479.db2.gz QUWVXTYCICXBIE-QZTJIDSGSA-N 2 1 358.576 4.424 20 0 FIADMP CSc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573651933 1115161481 /nfs/dbraw/zinc/16/14/81/1115161481.db2.gz QUWVXTYCICXBIE-QZTJIDSGSA-N 2 1 358.576 4.424 20 0 FIADMP Cc1ccncc1CCC[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573725762 1115177999 /nfs/dbraw/zinc/17/79/99/1115177999.db2.gz NTLFNMQDYLDYCM-IRLDBZIGSA-N 2 1 351.538 4.213 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCCC2=O)cc1 ZINC000157891528 1115381757 /nfs/dbraw/zinc/38/17/57/1115381757.db2.gz PGCGMSHMCFGMIM-MOPGFXCFSA-N 2 1 357.542 4.119 20 0 FIADMP C[C@@H]1CC(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000574534570 1115414242 /nfs/dbraw/zinc/41/42/42/1115414242.db2.gz FGKRBJKSOLPSJC-QZTJIDSGSA-N 2 1 362.533 4.016 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000594784335 1115481578 /nfs/dbraw/zinc/48/15/78/1115481578.db2.gz DIOKFAUJDVPLDB-GOSISDBHSA-N 2 1 358.913 4.350 20 0 FIADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000595008625 1115508209 /nfs/dbraw/zinc/50/82/09/1115508209.db2.gz PBCPSDNLRVZELH-MSOLQXFVSA-N 2 1 360.542 4.170 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)cc1 ZINC000575045172 1115531078 /nfs/dbraw/zinc/53/10/78/1115531078.db2.gz SZWKAZMVJQMTKD-NRFANRHFSA-N 2 1 362.517 4.471 20 0 FIADMP COc1ccc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)cc1 ZINC000575045172 1115531080 /nfs/dbraw/zinc/53/10/80/1115531080.db2.gz SZWKAZMVJQMTKD-NRFANRHFSA-N 2 1 362.517 4.471 20 0 FIADMP O[C@]1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366268 1116023691 /nfs/dbraw/zinc/02/36/91/1116023691.db2.gz FJSUEMPBRDLLJJ-VWLOTQADSA-N 2 1 372.512 4.080 20 0 FIADMP O[C@]1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366268 1116023693 /nfs/dbraw/zinc/02/36/93/1116023693.db2.gz FJSUEMPBRDLLJJ-VWLOTQADSA-N 2 1 372.512 4.080 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000608061631 1116079693 /nfs/dbraw/zinc/07/96/93/1116079693.db2.gz UQPMIINDMOBWFG-ZBFHGGJFSA-N 2 1 354.922 4.100 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000608061631 1116079695 /nfs/dbraw/zinc/07/96/95/1116079695.db2.gz UQPMIINDMOBWFG-ZBFHGGJFSA-N 2 1 354.922 4.100 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061630 1116079935 /nfs/dbraw/zinc/07/99/35/1116079935.db2.gz UQPMIINDMOBWFG-HOCLYGCPSA-N 2 1 354.922 4.100 20 0 FIADMP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061630 1116079937 /nfs/dbraw/zinc/07/99/37/1116079937.db2.gz UQPMIINDMOBWFG-HOCLYGCPSA-N 2 1 354.922 4.100 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534059903 1116153569 /nfs/dbraw/zinc/15/35/69/1116153569.db2.gz ZFYMRLDPQQUUCC-BDJLRTHQSA-N 2 1 357.723 4.021 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC[N@@H+]1C ZINC000534792643 1116236992 /nfs/dbraw/zinc/23/69/92/1116236992.db2.gz AHFIAPHDIXHPIH-RSAASHCRSA-N 2 1 357.723 4.162 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC[N@H+]1C ZINC000534792643 1116236994 /nfs/dbraw/zinc/23/69/94/1116236994.db2.gz AHFIAPHDIXHPIH-RSAASHCRSA-N 2 1 357.723 4.162 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534955624 1116255891 /nfs/dbraw/zinc/25/58/91/1116255891.db2.gz XKCVFPBGUHFKLU-OAHLLOKOSA-N 2 1 354.281 4.042 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534955624 1116255893 /nfs/dbraw/zinc/25/58/93/1116255893.db2.gz XKCVFPBGUHFKLU-OAHLLOKOSA-N 2 1 354.281 4.042 20 0 FIADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000539546491 1116341748 /nfs/dbraw/zinc/34/17/48/1116341748.db2.gz FDQQDPAAWIFRRV-UHFFFAOYSA-N 2 1 367.440 4.180 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000539546491 1116341750 /nfs/dbraw/zinc/34/17/50/1116341750.db2.gz FDQQDPAAWIFRRV-UHFFFAOYSA-N 2 1 367.440 4.180 20 0 FIADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000539817904 1116384766 /nfs/dbraw/zinc/38/47/66/1116384766.db2.gz VMQAAAUEZCVHJG-OAQYLSRUSA-N 2 1 350.506 4.183 20 0 FIADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000539817904 1116384767 /nfs/dbraw/zinc/38/47/67/1116384767.db2.gz VMQAAAUEZCVHJG-OAQYLSRUSA-N 2 1 350.506 4.183 20 0 FIADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000539817903 1116384804 /nfs/dbraw/zinc/38/48/04/1116384804.db2.gz VMQAAAUEZCVHJG-NRFANRHFSA-N 2 1 350.506 4.183 20 0 FIADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000539817903 1116384806 /nfs/dbraw/zinc/38/48/06/1116384806.db2.gz VMQAAAUEZCVHJG-NRFANRHFSA-N 2 1 350.506 4.183 20 0 FIADMP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000539895218 1117739163 /nfs/dbraw/zinc/73/91/63/1117739163.db2.gz AJLGOOCYDNTMRS-GMKZXUHWSA-N 2 1 364.533 4.346 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539898429 1117740330 /nfs/dbraw/zinc/74/03/30/1117740330.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000539898429 1117740333 /nfs/dbraw/zinc/74/03/33/1117740333.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 2 1 369.597 4.093 20 0 FIADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000539898429 1117740336 /nfs/dbraw/zinc/74/03/36/1117740336.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 2 1 369.597 4.093 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000462786877 1117770991 /nfs/dbraw/zinc/77/09/91/1117770991.db2.gz DKSLESZRRDVMMB-SFHVURJKSA-N 2 1 354.542 4.437 20 0 FIADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000462804600 1117786852 /nfs/dbraw/zinc/78/68/52/1117786852.db2.gz DTQWPDGFNANMAF-RBUKOAKNSA-N 2 1 371.569 4.051 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000462845976 1117816179 /nfs/dbraw/zinc/81/61/79/1117816179.db2.gz SEVLFLZJSUQRQR-JFTIXFDTSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000462845976 1117816189 /nfs/dbraw/zinc/81/61/89/1117816189.db2.gz SEVLFLZJSUQRQR-JFTIXFDTSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000462848253 1117818523 /nfs/dbraw/zinc/81/85/23/1117818523.db2.gz OMYZPCTXEUQOQE-CEXWTWQISA-N 2 1 362.558 4.404 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152733 1117906815 /nfs/dbraw/zinc/90/68/15/1117906815.db2.gz NQLAIYROWSTSPV-MJGOQNOKSA-N 2 1 372.532 4.338 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152733 1117906816 /nfs/dbraw/zinc/90/68/16/1117906816.db2.gz NQLAIYROWSTSPV-MJGOQNOKSA-N 2 1 372.532 4.338 20 0 FIADMP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccccc2)c1 ZINC000540166511 1117910378 /nfs/dbraw/zinc/91/03/78/1117910378.db2.gz FKCQYVRWKOQPMD-WZONZLPQSA-N 2 1 363.505 4.410 20 0 FIADMP CC(C)[C@H](CNC1CC[NH+](C2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000540188421 1117920154 /nfs/dbraw/zinc/92/01/54/1117920154.db2.gz OLULPDIDSDGHET-DEOSSOPVSA-N 2 1 369.597 4.066 20 0 FIADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000540188421 1117920155 /nfs/dbraw/zinc/92/01/55/1117920155.db2.gz OLULPDIDSDGHET-DEOSSOPVSA-N 2 1 369.597 4.066 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262171 1117962336 /nfs/dbraw/zinc/96/23/36/1117962336.db2.gz GMXYUXYROXNBLD-KBXCAEBGSA-N 2 1 351.332 4.222 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000463108979 1117968371 /nfs/dbraw/zinc/96/83/71/1117968371.db2.gz IIXRUQSWZLMBDT-WIYYLYMNSA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000463108979 1117968375 /nfs/dbraw/zinc/96/83/75/1117968375.db2.gz IIXRUQSWZLMBDT-WIYYLYMNSA-N 2 1 356.558 4.177 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000463108979 1117968377 /nfs/dbraw/zinc/96/83/77/1117968377.db2.gz IIXRUQSWZLMBDT-WIYYLYMNSA-N 2 1 356.558 4.177 20 0 FIADMP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463114634 1117970890 /nfs/dbraw/zinc/97/08/90/1117970890.db2.gz GQYXRCCUVGHJCK-IBGZPJMESA-N 2 1 352.522 4.443 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463114586 1117970960 /nfs/dbraw/zinc/97/09/60/1117970960.db2.gz GELSWFKWTCKXFB-CTNGQTDRSA-N 2 1 364.533 4.370 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463114586 1117970963 /nfs/dbraw/zinc/97/09/63/1117970963.db2.gz GELSWFKWTCKXFB-CTNGQTDRSA-N 2 1 364.533 4.370 20 0 FIADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC000463120468 1117979078 /nfs/dbraw/zinc/97/90/78/1117979078.db2.gz VYRKYIMYTZSIKZ-HUVFLSCGSA-N 2 1 365.565 4.240 20 0 FIADMP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463145010 1117982293 /nfs/dbraw/zinc/98/22/93/1117982293.db2.gz LUZAQYZBBZAVJU-LJQANCHMSA-N 2 1 354.513 4.444 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463188634 1118006494 /nfs/dbraw/zinc/00/64/94/1118006494.db2.gz DUEKASXZCKIKEF-SFHLNBCPSA-N 2 1 368.521 4.105 20 0 FIADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463188634 1118006499 /nfs/dbraw/zinc/00/64/99/1118006499.db2.gz DUEKASXZCKIKEF-SFHLNBCPSA-N 2 1 368.521 4.105 20 0 FIADMP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463204464 1118018905 /nfs/dbraw/zinc/01/89/05/1118018905.db2.gz JXFASQOIMOFXOL-UHFFFAOYSA-N 2 1 358.476 4.112 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000463206144 1118020192 /nfs/dbraw/zinc/02/01/92/1118020192.db2.gz OVSBQVWXMOYCRW-REWPJTCUSA-N 2 1 352.497 4.053 20 0 FIADMP Cc1cccc(O[C@H](C)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463207321 1118020538 /nfs/dbraw/zinc/02/05/38/1118020538.db2.gz RYAMPVXECZCXFX-HXUWFJFHSA-N 2 1 352.522 4.059 20 0 FIADMP CCS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463207986 1118021085 /nfs/dbraw/zinc/02/10/85/1118021085.db2.gz VAQSRFDPHDPOJB-RTWAWAEBSA-N 2 1 364.574 4.487 20 0 FIADMP CSc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463248413 1118052893 /nfs/dbraw/zinc/05/28/93/1118052893.db2.gz PMCBGLXEUVDTBM-UHFFFAOYSA-N 2 1 372.553 4.387 20 0 FIADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000463283484 1118069777 /nfs/dbraw/zinc/06/97/77/1118069777.db2.gz TXSCQLNRNKBUIG-LEWJYISDSA-N 2 1 362.533 4.014 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000463284510 1118070648 /nfs/dbraw/zinc/07/06/48/1118070648.db2.gz DQQIZGOVLZBOJA-YLJYHZDGSA-N 2 1 355.551 4.336 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000463284510 1118070653 /nfs/dbraw/zinc/07/06/53/1118070653.db2.gz DQQIZGOVLZBOJA-YLJYHZDGSA-N 2 1 355.551 4.336 20 0 FIADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCCC4CCOCC4)CC[C@H]32)cc1 ZINC000463293163 1118076861 /nfs/dbraw/zinc/07/68/61/1118076861.db2.gz DVKSUPSKBMTOBP-DHIUTWEWSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCCC4CCOCC4)CC[C@H]32)cc1 ZINC000463293163 1118076867 /nfs/dbraw/zinc/07/68/67/1118076867.db2.gz DVKSUPSKBMTOBP-DHIUTWEWSA-N 2 1 356.554 4.180 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCCC4CCOCC4)CC[C@H]32)cc1 ZINC000463293163 1118076873 /nfs/dbraw/zinc/07/68/73/1118076873.db2.gz DVKSUPSKBMTOBP-DHIUTWEWSA-N 2 1 356.554 4.180 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463288282 1118084864 /nfs/dbraw/zinc/08/48/64/1118084864.db2.gz ZZCLWWUFOSUNBD-XMSQKQJNSA-N 2 1 355.501 4.270 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463288282 1118084867 /nfs/dbraw/zinc/08/48/67/1118084867.db2.gz ZZCLWWUFOSUNBD-XMSQKQJNSA-N 2 1 355.501 4.270 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)[C@H](C)C1 ZINC000540551850 1118123287 /nfs/dbraw/zinc/12/32/87/1118123287.db2.gz VORAGIPJXIHYBE-KNQAVFIVSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@H](C)C1 ZINC000540551850 1118123288 /nfs/dbraw/zinc/12/32/88/1118123288.db2.gz VORAGIPJXIHYBE-KNQAVFIVSA-N 2 1 374.569 4.044 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)[C@H](C)C1 ZINC000540551850 1118123291 /nfs/dbraw/zinc/12/32/91/1118123291.db2.gz VORAGIPJXIHYBE-KNQAVFIVSA-N 2 1 374.569 4.044 20 0 FIADMP c1cn(CCCC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cn1 ZINC000541204335 1118422811 /nfs/dbraw/zinc/42/28/11/1118422811.db2.gz VZMYYYONDJWUGY-UHFFFAOYSA-N 2 1 350.466 4.231 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000464065592 1118424910 /nfs/dbraw/zinc/42/49/10/1118424910.db2.gz GDFYCGSSDYJODY-GBESFXJTSA-N 2 1 357.473 4.005 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)c1 ZINC000541565561 1118557733 /nfs/dbraw/zinc/55/77/33/1118557733.db2.gz GIEAWWUMLSZFEN-FQEVSTJZSA-N 2 1 351.494 4.090 20 0 FIADMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366493 1118590952 /nfs/dbraw/zinc/59/09/52/1118590952.db2.gz AJEKEVHFDFVFEF-PZJWPPBQSA-N 2 1 360.505 4.045 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366493 1118590953 /nfs/dbraw/zinc/59/09/53/1118590953.db2.gz AJEKEVHFDFVFEF-PZJWPPBQSA-N 2 1 360.505 4.045 20 0 FIADMP Clc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000541744371 1118629874 /nfs/dbraw/zinc/62/98/74/1118629874.db2.gz GQVRLKQYQDWVTH-JOCHJYFZSA-N 2 1 370.924 4.339 20 0 FIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000541772753 1118644974 /nfs/dbraw/zinc/64/49/74/1118644974.db2.gz KUSBQNXZDFCSOX-UHFFFAOYSA-N 2 1 362.411 4.071 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000541772753 1118644975 /nfs/dbraw/zinc/64/49/75/1118644975.db2.gz KUSBQNXZDFCSOX-UHFFFAOYSA-N 2 1 362.411 4.071 20 0 FIADMP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312454389 1118711473 /nfs/dbraw/zinc/71/14/73/1118711473.db2.gz KITPJQCOVFYMNR-HSZRJFAPSA-N 2 1 360.505 4.079 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2Br)C[C@H]1C ZINC000542279470 1118879600 /nfs/dbraw/zinc/87/96/00/1118879600.db2.gz XWBWSVOORDZIFE-WBVHZDCISA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2Br)C[C@H]1C ZINC000542279470 1118879603 /nfs/dbraw/zinc/87/96/03/1118879603.db2.gz XWBWSVOORDZIFE-WBVHZDCISA-N 2 1 353.348 4.186 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2Br)C[C@H]1C ZINC000542279470 1118879606 /nfs/dbraw/zinc/87/96/06/1118879606.db2.gz XWBWSVOORDZIFE-WBVHZDCISA-N 2 1 353.348 4.186 20 0 FIADMP C[NH+]1CCC([NH2+]C[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000492131055 1119030632 /nfs/dbraw/zinc/03/06/32/1119030632.db2.gz NFPFKHSCRLICCF-OAQYLSRUSA-N 2 1 358.913 4.282 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000173299808 1119030925 /nfs/dbraw/zinc/03/09/25/1119030925.db2.gz BLRYOMQKENAEKZ-NRFANRHFSA-N 2 1 358.913 4.413 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000492259568 1119056347 /nfs/dbraw/zinc/05/63/47/1119056347.db2.gz QEXBXOFEECWZSW-SJCJKPOMSA-N 2 1 362.315 4.176 20 0 FIADMP COCC[C@H]1CCCC[NH+]([C@@H](C)CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274293 1119289035 /nfs/dbraw/zinc/28/90/35/1119289035.db2.gz FZFZRSSFVHHXBJ-FDFHNCONSA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@H]1CCCC[N@@H+]([C@@H](C)CC[NH+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274293 1119289038 /nfs/dbraw/zinc/28/90/38/1119289038.db2.gz FZFZRSSFVHHXBJ-FDFHNCONSA-N 2 1 368.606 4.042 20 0 FIADMP COCC[C@H]1CCCC[N@H+]([C@@H](C)CC[NH+]2CCCC[C@@H](CCOC)C2)C1 ZINC000467274293 1119289042 /nfs/dbraw/zinc/28/90/42/1119289042.db2.gz FZFZRSSFVHHXBJ-FDFHNCONSA-N 2 1 368.606 4.042 20 0 FIADMP C[C@H](Nc1cc[nH+]cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309859857 1119303154 /nfs/dbraw/zinc/30/31/54/1119303154.db2.gz MVFDYFHZQRQSNS-GOEBONIOSA-N 2 1 360.299 4.167 20 0 FIADMP C[C@H](Nc1cc[nH+]cc1Br)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309859857 1119303158 /nfs/dbraw/zinc/30/31/58/1119303158.db2.gz MVFDYFHZQRQSNS-GOEBONIOSA-N 2 1 360.299 4.167 20 0 FIADMP C[C@H](Nc1cc[nH+]cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309859858 1119303320 /nfs/dbraw/zinc/30/33/20/1119303320.db2.gz MVFDYFHZQRQSNS-HOCLYGCPSA-N 2 1 360.299 4.167 20 0 FIADMP C[C@H](Nc1cc[nH+]cc1Br)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309859858 1119303323 /nfs/dbraw/zinc/30/33/23/1119303323.db2.gz MVFDYFHZQRQSNS-HOCLYGCPSA-N 2 1 360.299 4.167 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000542464993 1119303908 /nfs/dbraw/zinc/30/39/08/1119303908.db2.gz YTDIADPLMOFMAJ-NRFANRHFSA-N 2 1 364.518 4.174 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000542464993 1119303913 /nfs/dbraw/zinc/30/39/13/1119303913.db2.gz YTDIADPLMOFMAJ-NRFANRHFSA-N 2 1 364.518 4.174 20 0 FIADMP COc1ccc2cc([C@H](C)[NH2+]C3CC[NH+](CCOC(C)C)CC3)ccc2c1 ZINC000177486032 1119333045 /nfs/dbraw/zinc/33/30/45/1119333045.db2.gz WVZDOKJHFLURJJ-SFHVURJKSA-N 2 1 370.537 4.388 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493685 1119376814 /nfs/dbraw/zinc/37/68/14/1119376814.db2.gz KDEPGAVFBZOWDW-XXBNENTESA-N 2 1 350.506 4.184 20 0 FIADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311537666 1119378711 /nfs/dbraw/zinc/37/87/11/1119378711.db2.gz SOIHRWCCCXIJCO-SFHVURJKSA-N 2 1 364.411 4.197 20 0 FIADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000178258192 1119380286 /nfs/dbraw/zinc/38/02/86/1119380286.db2.gz HEGWLGQUBLKLAG-SFHVURJKSA-N 2 1 354.416 4.037 20 0 FIADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cnn1-c1cc(C)ccc1C ZINC000178253770 1119380788 /nfs/dbraw/zinc/38/07/88/1119380788.db2.gz IHKQNHYEVKOTDV-SFHVURJKSA-N 2 1 366.553 4.323 20 0 FIADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892244 1119393733 /nfs/dbraw/zinc/39/37/33/1119393733.db2.gz YPKVVOBZLJVWSK-VXKWHMMOSA-N 2 1 356.554 4.228 20 0 FIADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000312112555 1119402458 /nfs/dbraw/zinc/40/24/58/1119402458.db2.gz NBTSMUCCBCCROV-FNAHDJPLSA-N 2 1 356.554 4.082 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000542464572 1119411130 /nfs/dbraw/zinc/41/11/30/1119411130.db2.gz JVSVZMCJYBAKFC-UHFFFAOYSA-N 2 1 352.869 4.394 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000493937430 1119512393 /nfs/dbraw/zinc/51/23/93/1119512393.db2.gz QEEIWLXYVOVBMU-AVRDEDQJSA-N 2 1 350.506 4.195 20 0 FIADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000183911784 1119588384 /nfs/dbraw/zinc/58/83/84/1119588384.db2.gz IWSQHQJBUGPJDY-XZOQPEGZSA-N 2 1 362.517 4.114 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542477007 1119636566 /nfs/dbraw/zinc/63/65/66/1119636566.db2.gz AVUMZDCPNXEHDQ-GCJKJVERSA-N 2 1 355.501 4.412 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494434158 1119859693 /nfs/dbraw/zinc/85/96/93/1119859693.db2.gz FUWQMZODXWUVHJ-UHFFFAOYSA-N 2 1 362.315 4.101 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494434158 1119859697 /nfs/dbraw/zinc/85/96/97/1119859697.db2.gz FUWQMZODXWUVHJ-UHFFFAOYSA-N 2 1 362.315 4.101 20 0 FIADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189739991 1119915135 /nfs/dbraw/zinc/91/51/35/1119915135.db2.gz LZTPBUJSIRNZLM-LJQANCHMSA-N 2 1 370.459 4.171 20 0 FIADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189739991 1119915137 /nfs/dbraw/zinc/91/51/37/1119915137.db2.gz LZTPBUJSIRNZLM-LJQANCHMSA-N 2 1 370.459 4.171 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cn1 ZINC000190771186 1119948186 /nfs/dbraw/zinc/94/81/86/1119948186.db2.gz FCAGPLURENDKIL-IBGZPJMESA-N 2 1 366.553 4.202 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CCS2 ZINC000191547249 1119983677 /nfs/dbraw/zinc/98/36/77/1119983677.db2.gz JPOVLYGLMQDKSX-JXXFODFXSA-N 2 1 360.567 4.475 20 0 FIADMP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000193957232 1120219621 /nfs/dbraw/zinc/21/96/21/1120219621.db2.gz XPJZTXRZJXUSPX-NRFANRHFSA-N 2 1 358.913 4.413 20 0 FIADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737413 1120298875 /nfs/dbraw/zinc/29/88/75/1120298875.db2.gz CEEZVXXPENXCHS-MOPGFXCFSA-N 2 1 371.569 4.335 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000495089049 1120469010 /nfs/dbraw/zinc/46/90/10/1120469010.db2.gz XBZOKMYZHXXRHF-NNMXDRDESA-N 2 1 362.533 4.251 20 0 FIADMP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000495261189 1120595235 /nfs/dbraw/zinc/59/52/35/1120595235.db2.gz VKBDMZRFRAFFFD-OAQYLSRUSA-N 2 1 355.913 4.235 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1F ZINC000495543884 1120876078 /nfs/dbraw/zinc/87/60/78/1120876078.db2.gz BKEWPDIDDQOFEH-IXDOHACOSA-N 2 1 374.475 4.425 20 0 FIADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc(C)c1OCc1ccccn1 ZINC000915226381 1120883152 /nfs/dbraw/zinc/88/31/52/1120883152.db2.gz JHOADWZVDQAVNL-UHFFFAOYSA-N 2 1 355.526 4.097 20 0 FIADMP Cc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc(C)c1OCc1ccccn1 ZINC000915226381 1120883161 /nfs/dbraw/zinc/88/31/61/1120883161.db2.gz JHOADWZVDQAVNL-UHFFFAOYSA-N 2 1 355.526 4.097 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650771 1120945362 /nfs/dbraw/zinc/94/53/62/1120945362.db2.gz RPZMGOZUPOVLEI-LSDHHAIUSA-N 2 1 358.498 4.153 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650771 1120945363 /nfs/dbraw/zinc/94/53/63/1120945363.db2.gz RPZMGOZUPOVLEI-LSDHHAIUSA-N 2 1 358.498 4.153 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(Br)ncc1F ZINC000762736732 1120956932 /nfs/dbraw/zinc/95/69/32/1120956932.db2.gz RRFLNDBMTBEWCX-KGLIPLIRSA-N 2 1 372.326 4.288 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000236830038 1120970355 /nfs/dbraw/zinc/97/03/55/1120970355.db2.gz QMSRLUGLEJWXBM-PMACEKPBSA-N 2 1 368.525 4.291 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000236930736 1120971745 /nfs/dbraw/zinc/97/17/45/1120971745.db2.gz KJZUCRSCQBQQHS-NRFANRHFSA-N 2 1 368.521 4.096 20 0 FIADMP ClC1(Cl)C[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925926 1120998221 /nfs/dbraw/zinc/99/82/21/1120998221.db2.gz JHZVCSOOVPSAKI-KRWDZBQOSA-N 2 1 353.337 4.168 20 0 FIADMP CC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000026307681 1121086441 /nfs/dbraw/zinc/08/64/41/1121086441.db2.gz DCCYVNZTYDSOBS-UHFFFAOYSA-N 2 1 371.912 4.166 20 0 FIADMP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000043391011 1121195575 /nfs/dbraw/zinc/19/55/75/1121195575.db2.gz RQDUIPRBHJDOGV-GOSISDBHSA-N 2 1 374.573 4.303 20 0 FIADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Br)c3cccnc23)CC1 ZINC000472598748 1121277969 /nfs/dbraw/zinc/27/79/69/1121277969.db2.gz GEVSMYHYYYEHBQ-UHFFFAOYSA-N 2 1 374.326 4.058 20 0 FIADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Br)c3cccnc23)CC1 ZINC000472598748 1121277974 /nfs/dbraw/zinc/27/79/74/1121277974.db2.gz GEVSMYHYYYEHBQ-UHFFFAOYSA-N 2 1 374.326 4.058 20 0 FIADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC001649048811 1121317369 /nfs/dbraw/zinc/31/73/69/1121317369.db2.gz ZZQYNTSRPSDYTG-CTNGQTDRSA-N 2 1 374.569 4.235 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000123819112 1121635936 /nfs/dbraw/zinc/63/59/36/1121635936.db2.gz DAAKDNFHFPEIBS-UHFFFAOYSA-N 2 1 373.566 4.337 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000123819112 1121635940 /nfs/dbraw/zinc/63/59/40/1121635940.db2.gz DAAKDNFHFPEIBS-UHFFFAOYSA-N 2 1 373.566 4.337 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000123907823 1121644796 /nfs/dbraw/zinc/64/47/96/1121644796.db2.gz UFXAFWUESLENKC-KRWDZBQOSA-N 2 1 356.510 4.315 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000123948933 1121648614 /nfs/dbraw/zinc/64/86/14/1121648614.db2.gz PVQNJSLXMBTFFJ-GOSISDBHSA-N 2 1 365.521 4.116 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2Cc3ccccc3C2)CC1 ZINC000671744292 1121652104 /nfs/dbraw/zinc/65/21/04/1121652104.db2.gz LBHLTRUYYJFEJL-UHFFFAOYSA-N 2 1 363.549 4.035 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000124951195 1121734070 /nfs/dbraw/zinc/73/40/70/1121734070.db2.gz LIWHSVSKAZAQMJ-UHFFFAOYSA-N 2 1 358.873 4.256 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000125130203 1121749136 /nfs/dbraw/zinc/74/91/36/1121749136.db2.gz DXJRMASIRKQMTE-QZTJIDSGSA-N 2 1 366.505 4.334 20 0 FIADMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125160847 1121751815 /nfs/dbraw/zinc/75/18/15/1121751815.db2.gz NFYROIDPIXQZMP-HXUWFJFHSA-N 2 1 351.498 4.178 20 0 FIADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125160847 1121751819 /nfs/dbraw/zinc/75/18/19/1121751819.db2.gz NFYROIDPIXQZMP-HXUWFJFHSA-N 2 1 351.498 4.178 20 0 FIADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125730949 1121818264 /nfs/dbraw/zinc/81/82/64/1121818264.db2.gz YLZNBVBGADXAEW-RBUKOAKNSA-N 2 1 374.573 4.331 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OC(F)F ZINC000125793095 1121839716 /nfs/dbraw/zinc/83/97/16/1121839716.db2.gz JXXDUMYNKKYPDB-LSDHHAIUSA-N 2 1 356.457 4.068 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873754 1122020960 /nfs/dbraw/zinc/02/09/60/1122020960.db2.gz DILMVTSHVUVEMR-IAGOWNOFSA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000126873754 1122020964 /nfs/dbraw/zinc/02/09/64/1122020964.db2.gz DILMVTSHVUVEMR-IAGOWNOFSA-N 2 1 374.550 4.328 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000765805929 1122067276 /nfs/dbraw/zinc/06/72/76/1122067276.db2.gz AULBGMLDMMRKCV-VOQZNFBZSA-N 2 1 372.940 4.048 20 0 FIADMP Fc1ccc2c(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c[nH]c2c1 ZINC000127764039 1122144523 /nfs/dbraw/zinc/14/45/23/1122144523.db2.gz CPCGIKNIGPFVHQ-UHFFFAOYSA-N 2 1 365.496 4.146 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C2CCC2)o1 ZINC000542680635 1122272335 /nfs/dbraw/zinc/27/23/35/1122272335.db2.gz CZSNNGDBWXJHHX-FYYLOGMGSA-N 2 1 368.521 4.176 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812462 1122415761 /nfs/dbraw/zinc/41/57/61/1122415761.db2.gz KWVFPLSUOFBSAW-DENIHFKCSA-N 2 1 355.501 4.072 20 0 FIADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000497812462 1122415763 /nfs/dbraw/zinc/41/57/63/1122415763.db2.gz KWVFPLSUOFBSAW-DENIHFKCSA-N 2 1 355.501 4.072 20 0 FIADMP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000129307614 1122567719 /nfs/dbraw/zinc/56/77/19/1122567719.db2.gz BOYMVNILFJBRNV-VQTJNVASSA-N 2 1 350.547 4.096 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC000556104971 1122656156 /nfs/dbraw/zinc/65/61/56/1122656156.db2.gz OANNHPYKNHDELQ-OUJCMCIWSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC000556104971 1122656163 /nfs/dbraw/zinc/65/61/63/1122656163.db2.gz OANNHPYKNHDELQ-OUJCMCIWSA-N 2 1 363.549 4.075 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556104638 1122657519 /nfs/dbraw/zinc/65/75/19/1122657519.db2.gz FQUPPNIMBZZSNO-DHIUTWEWSA-N 3 1 357.586 4.170 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556104638 1122657522 /nfs/dbraw/zinc/65/75/22/1122657522.db2.gz FQUPPNIMBZZSNO-DHIUTWEWSA-N 3 1 357.586 4.170 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556104643 1122657731 /nfs/dbraw/zinc/65/77/31/1122657731.db2.gz FWRGBDWZMILBLM-ONTIZHBOSA-N 2 1 369.940 4.344 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)C[C@H]1c1ccccc1 ZINC000556104643 1122657734 /nfs/dbraw/zinc/65/77/34/1122657734.db2.gz FWRGBDWZMILBLM-ONTIZHBOSA-N 2 1 369.940 4.344 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000556119071 1122669956 /nfs/dbraw/zinc/66/99/56/1122669956.db2.gz OEPXDYHGEJNADG-FYYLOGMGSA-N 2 1 360.505 4.012 20 0 FIADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000556119071 1122669959 /nfs/dbraw/zinc/66/99/59/1122669959.db2.gz OEPXDYHGEJNADG-FYYLOGMGSA-N 2 1 360.505 4.012 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236156 1122752133 /nfs/dbraw/zinc/75/21/33/1122752133.db2.gz ONWQEHOPELPTHD-DHSIGJKJSA-N 2 1 366.431 4.162 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cn[nH]c1 ZINC000556236156 1122752138 /nfs/dbraw/zinc/75/21/38/1122752138.db2.gz ONWQEHOPELPTHD-DHSIGJKJSA-N 2 1 366.431 4.162 20 0 FIADMP Cn1ncc(Cl)c1CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000130695386 1122907788 /nfs/dbraw/zinc/90/77/88/1122907788.db2.gz XWZNVFJCCZVICR-UHFFFAOYSA-N 2 1 360.933 4.128 20 0 FIADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000130695386 1122907792 /nfs/dbraw/zinc/90/77/92/1122907792.db2.gz XWZNVFJCCZVICR-UHFFFAOYSA-N 2 1 360.933 4.128 20 0 FIADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000130695386 1122907794 /nfs/dbraw/zinc/90/77/94/1122907794.db2.gz XWZNVFJCCZVICR-UHFFFAOYSA-N 2 1 360.933 4.128 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000499053268 1123174152 /nfs/dbraw/zinc/17/41/52/1123174152.db2.gz MBUFEECYJLOKNO-UHFFFAOYSA-N 2 1 370.472 4.330 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000499053268 1123174155 /nfs/dbraw/zinc/17/41/55/1123174155.db2.gz MBUFEECYJLOKNO-UHFFFAOYSA-N 2 1 370.472 4.330 20 0 FIADMP COc1ccc(C[N@H+](CCn2cc[nH+]c2C)C2CCCCC2)cc1OC ZINC000499064988 1123181552 /nfs/dbraw/zinc/18/15/52/1123181552.db2.gz OVSHNEJUYAAZDN-UHFFFAOYSA-N 2 1 357.498 4.044 20 0 FIADMP COc1ccc(C[N@@H+](CCn2cc[nH+]c2C)C2CCCCC2)cc1OC ZINC000499064988 1123181557 /nfs/dbraw/zinc/18/15/57/1123181557.db2.gz OVSHNEJUYAAZDN-UHFFFAOYSA-N 2 1 357.498 4.044 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000132248126 1123234942 /nfs/dbraw/zinc/23/49/42/1123234942.db2.gz ZOJCHMHEGGPVMN-SFHVURJKSA-N 2 1 361.917 4.416 20 0 FIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000132248126 1123234944 /nfs/dbraw/zinc/23/49/44/1123234944.db2.gz ZOJCHMHEGGPVMN-SFHVURJKSA-N 2 1 361.917 4.416 20 0 FIADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000152637931 1123430814 /nfs/dbraw/zinc/43/08/14/1123430814.db2.gz ZHRDEQUKVZZHKU-AVRDEDQJSA-N 2 1 350.506 4.165 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000133392112 1123483542 /nfs/dbraw/zinc/48/35/42/1123483542.db2.gz AUYILFNJBMXQFW-QGZVFWFLSA-N 2 1 355.448 4.330 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133402738 1123484149 /nfs/dbraw/zinc/48/41/49/1123484149.db2.gz DESMLMRUPYGOMJ-IECBHUPTSA-N 3 1 365.565 4.234 20 0 FIADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133402738 1123484153 /nfs/dbraw/zinc/48/41/53/1123484153.db2.gz DESMLMRUPYGOMJ-IECBHUPTSA-N 2 1 365.565 4.234 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCCSc2ccccc2Br)CC[N@H+]1C ZINC000133420142 1123486264 /nfs/dbraw/zinc/48/62/64/1123486264.db2.gz VQMSTUMUBOUYCH-GJZGRUSLSA-N 2 1 371.388 4.394 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C)C1 ZINC000245445708 1124035021 /nfs/dbraw/zinc/03/50/21/1124035021.db2.gz ZDSXSJDVIZYNHR-AVRDEDQJSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C)C1 ZINC000245445708 1124035025 /nfs/dbraw/zinc/03/50/25/1124035025.db2.gz ZDSXSJDVIZYNHR-AVRDEDQJSA-N 2 1 365.521 4.101 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C)C1 ZINC000245445708 1124035029 /nfs/dbraw/zinc/03/50/29/1124035029.db2.gz ZDSXSJDVIZYNHR-AVRDEDQJSA-N 2 1 365.521 4.101 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453135 1124037363 /nfs/dbraw/zinc/03/73/63/1124037363.db2.gz FGIXZWGISZVWON-LUQKVYGDSA-N 2 1 374.550 4.499 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453135 1124037367 /nfs/dbraw/zinc/03/73/67/1124037367.db2.gz FGIXZWGISZVWON-LUQKVYGDSA-N 2 1 374.550 4.499 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245619561 1124146430 /nfs/dbraw/zinc/14/64/30/1124146430.db2.gz ZPCADMNLYRVTPB-BXIUTXANSA-N 2 1 367.940 4.075 20 0 FIADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245619561 1124146438 /nfs/dbraw/zinc/14/64/38/1124146438.db2.gz ZPCADMNLYRVTPB-BXIUTXANSA-N 2 1 367.940 4.075 20 0 FIADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650703 1124166190 /nfs/dbraw/zinc/16/61/90/1124166190.db2.gz CNHDYIIOFQGEGT-FDTGPBLFSA-N 2 1 364.533 4.499 20 0 FIADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245651390 1124167751 /nfs/dbraw/zinc/16/77/51/1124167751.db2.gz CNHDYIIOFQGEGT-TWHAJKEOSA-N 2 1 364.533 4.499 20 0 FIADMP CC1(C)CC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000245672087 1124184449 /nfs/dbraw/zinc/18/44/49/1124184449.db2.gz HNTJXIHOOPRJLA-NUZGMZIFSA-N 3 1 355.570 4.081 20 0 FIADMP CC1(C)CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000245672087 1124184451 /nfs/dbraw/zinc/18/44/51/1124184451.db2.gz HNTJXIHOOPRJLA-NUZGMZIFSA-N 3 1 355.570 4.081 20 0 FIADMP CC1(C)CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000245672087 1124184454 /nfs/dbraw/zinc/18/44/54/1124184454.db2.gz HNTJXIHOOPRJLA-NUZGMZIFSA-N 3 1 355.570 4.081 20 0 FIADMP OCCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245737490 1124229008 /nfs/dbraw/zinc/22/90/08/1124229008.db2.gz RAFRUBAGZDADFU-JLLPCOHGSA-N 2 1 364.533 4.285 20 0 FIADMP C[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765571 1124244548 /nfs/dbraw/zinc/24/45/48/1124244548.db2.gz WHPKHKIYVVWLNO-XQUALCHDSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765571 1124244556 /nfs/dbraw/zinc/24/45/56/1124244556.db2.gz WHPKHKIYVVWLNO-XQUALCHDSA-N 2 1 363.549 4.075 20 0 FIADMP CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245765571 1124244561 /nfs/dbraw/zinc/24/45/61/1124244561.db2.gz WHPKHKIYVVWLNO-XQUALCHDSA-N 2 1 363.549 4.075 20 0 FIADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542775317 1124252364 /nfs/dbraw/zinc/25/23/64/1124252364.db2.gz UCDUUKOXBMAMIZ-WTBLGDFPSA-N 2 1 363.549 4.144 20 0 FIADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245988399 1124304114 /nfs/dbraw/zinc/30/41/14/1124304114.db2.gz QILACMZSFWFCNW-OXQOHEQNSA-N 2 1 360.448 4.309 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)C1 ZINC000245988399 1124304127 /nfs/dbraw/zinc/30/41/27/1124304127.db2.gz QILACMZSFWFCNW-OXQOHEQNSA-N 2 1 360.448 4.309 20 0 FIADMP CC[N@H+]1CC[C@@H](NCc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000246251797 1124419364 /nfs/dbraw/zinc/41/93/64/1124419364.db2.gz SRDNIMOKXMJJFG-PGRDOPGGSA-N 2 1 365.521 4.067 20 0 FIADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000246251797 1124419367 /nfs/dbraw/zinc/41/93/67/1124419367.db2.gz SRDNIMOKXMJJFG-PGRDOPGGSA-N 2 1 365.521 4.067 20 0 FIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000542848569 1124448715 /nfs/dbraw/zinc/44/87/15/1124448715.db2.gz RWLYHQQSGKKLPQ-GCJKJVERSA-N 2 1 370.924 4.074 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1Cl ZINC000246330775 1124450330 /nfs/dbraw/zinc/45/03/30/1124450330.db2.gz BHHRFUWQLNYRRQ-DLBZAZTESA-N 2 1 358.913 4.412 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1Cl ZINC000246330775 1124450340 /nfs/dbraw/zinc/45/03/40/1124450340.db2.gz BHHRFUWQLNYRRQ-DLBZAZTESA-N 2 1 358.913 4.412 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC000246976153 1124577890 /nfs/dbraw/zinc/57/78/90/1124577890.db2.gz JUKPZXDQHUNNHO-CABCVRRESA-N 2 1 369.347 4.229 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247030511 1124584098 /nfs/dbraw/zinc/58/40/98/1124584098.db2.gz MFKFTCVTAXRQMN-ZIFCJYIRSA-N 2 1 369.509 4.091 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247030511 1124584100 /nfs/dbraw/zinc/58/41/00/1124584100.db2.gz MFKFTCVTAXRQMN-ZIFCJYIRSA-N 2 1 369.509 4.091 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)C1 ZINC000247183873 1124597874 /nfs/dbraw/zinc/59/78/74/1124597874.db2.gz VKWYSGHHMYUKPA-VQIMIIECSA-N 2 1 357.567 4.425 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000247449202 1124709132 /nfs/dbraw/zinc/70/91/32/1124709132.db2.gz YVNKMZIRSOTVBU-RBUKOAKNSA-N 2 1 354.542 4.281 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000247893112 1124730107 /nfs/dbraw/zinc/73/01/07/1124730107.db2.gz FZIBEQSXNSHIEA-JZXOWHBKSA-N 2 1 370.484 4.076 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000247893112 1124730110 /nfs/dbraw/zinc/73/01/10/1124730110.db2.gz FZIBEQSXNSHIEA-JZXOWHBKSA-N 2 1 370.484 4.076 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000248435648 1124768107 /nfs/dbraw/zinc/76/81/07/1124768107.db2.gz FUCQTZGHMKIBJE-KNQAVFIVSA-N 2 1 352.522 4.111 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C)cc1 ZINC000248434731 1124768257 /nfs/dbraw/zinc/76/82/57/1124768257.db2.gz DZJLDZQZRWAAAJ-GOTSBHOMSA-N 2 1 352.522 4.193 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000248463305 1124773755 /nfs/dbraw/zinc/77/37/55/1124773755.db2.gz YWAUQIQTHZPOMZ-UGKGYDQZSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001168683922 1124800407 /nfs/dbraw/zinc/80/04/07/1124800407.db2.gz CAPXZXUBCKKIQA-NSISKUIASA-N 2 1 354.925 4.450 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001168683922 1124800413 /nfs/dbraw/zinc/80/04/13/1124800413.db2.gz CAPXZXUBCKKIQA-NSISKUIASA-N 2 1 354.925 4.450 20 0 FIADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001168683858 1124801371 /nfs/dbraw/zinc/80/13/71/1124801371.db2.gz APMNAHDMRXGOHS-JROBLHLSSA-N 2 1 366.936 4.307 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000248831894 1124817203 /nfs/dbraw/zinc/81/72/03/1124817203.db2.gz HRSPXRNOZAJDIV-MZADTFQBSA-N 2 1 368.496 4.162 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000249452145 1124858908 /nfs/dbraw/zinc/85/89/08/1124858908.db2.gz COAPLIBVVAIELN-WBMJQRKESA-N 2 1 357.361 4.283 20 0 FIADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000249634305 1124870265 /nfs/dbraw/zinc/87/02/65/1124870265.db2.gz WCUQTSVGDWDPBE-ZWKOTPCHSA-N 2 1 370.562 4.480 20 0 FIADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000249634305 1124870274 /nfs/dbraw/zinc/87/02/74/1124870274.db2.gz WCUQTSVGDWDPBE-ZWKOTPCHSA-N 2 1 370.562 4.480 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522830 1125000040 /nfs/dbraw/zinc/00/00/40/1125000040.db2.gz CTIHQGANNQOVFK-VDGAXYAQSA-N 2 1 362.583 4.217 20 0 FIADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000091306467 1125063574 /nfs/dbraw/zinc/06/35/74/1125063574.db2.gz SUQBZSZEEJIRQY-SFHVURJKSA-N 2 1 359.341 4.127 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc2ccccc2c1 ZINC000499599856 1125266210 /nfs/dbraw/zinc/26/62/10/1125266210.db2.gz JFWXSEVXHFZASW-UHFFFAOYSA-N 2 1 360.505 4.368 20 0 FIADMP CC[C@@H](C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000563136708 568270196 /nfs/dbraw/zinc/27/01/96/568270196.db2.gz NHZVWTYOCFQUEL-PZJWPPBQSA-N 2 1 366.553 4.041 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@@H+]1C ZINC000093643923 1125470839 /nfs/dbraw/zinc/47/08/39/1125470839.db2.gz JFEGPQDQPHLTKO-WBMJQRKESA-N 2 1 355.309 4.184 20 0 FIADMP C[C@@H]1C[C@@H]([NH+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+]1C ZINC000093643923 1125470844 /nfs/dbraw/zinc/47/08/44/1125470844.db2.gz JFEGPQDQPHLTKO-WBMJQRKESA-N 2 1 355.309 4.184 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643923 1125470848 /nfs/dbraw/zinc/47/08/48/1125470848.db2.gz JFEGPQDQPHLTKO-WBMJQRKESA-N 2 1 355.309 4.184 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[NH+]1C ZINC000093643923 1125470857 /nfs/dbraw/zinc/47/08/57/1125470857.db2.gz JFEGPQDQPHLTKO-WBMJQRKESA-N 2 1 355.309 4.184 20 0 FIADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000683159346 1079746964 /nfs/dbraw/zinc/74/69/64/1079746964.db2.gz MQFHOZHGQVSVGN-IFMALSPDSA-N 2 1 364.533 4.054 20 0 FIADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000620119384 1125782794 /nfs/dbraw/zinc/78/27/94/1125782794.db2.gz PADFUYYUBZHWME-IBGZPJMESA-N 2 1 352.522 4.150 20 0 FIADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000620119384 1125782801 /nfs/dbraw/zinc/78/28/01/1125782801.db2.gz PADFUYYUBZHWME-IBGZPJMESA-N 2 1 352.522 4.150 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463163005 1080025111 /nfs/dbraw/zinc/02/51/11/1080025111.db2.gz QNRMUTRSVKDUDX-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463163005 1080025124 /nfs/dbraw/zinc/02/51/24/1080025124.db2.gz QNRMUTRSVKDUDX-UGKGYDQZSA-N 2 1 352.522 4.271 20 0 FIADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(-c2ccco2)on1 ZINC000179396827 1080168163 /nfs/dbraw/zinc/16/81/63/1080168163.db2.gz BDADWUGQTQKVGD-UHFFFAOYSA-N 2 1 366.465 4.068 20 0 FIADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000179706040 1080241129 /nfs/dbraw/zinc/24/11/29/1080241129.db2.gz WIGDBCMUDUVFEK-MRXNPFEDSA-N 2 1 365.949 4.029 20 0 FIADMP c1n[nH]cc1[C@@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246917801 1080557615 /nfs/dbraw/zinc/55/76/15/1080557615.db2.gz IBVHCQJHTOVXGA-SFTDATJTSA-N 2 1 370.545 4.057 20 0 FIADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000089892330 1080685440 /nfs/dbraw/zinc/68/54/40/1080685440.db2.gz LPZPNHBEVYNDNO-UHFFFAOYSA-N 2 1 361.530 4.338 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000089892330 1080685442 /nfs/dbraw/zinc/68/54/42/1080685442.db2.gz LPZPNHBEVYNDNO-UHFFFAOYSA-N 2 1 361.530 4.338 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000683357860 1080728987 /nfs/dbraw/zinc/72/89/87/1080728987.db2.gz HBHACGOUHAAFPN-OAQYLSRUSA-N 2 1 356.485 4.321 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000683357860 1080728992 /nfs/dbraw/zinc/72/89/92/1080728992.db2.gz HBHACGOUHAAFPN-OAQYLSRUSA-N 2 1 356.485 4.321 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117305 1080788763 /nfs/dbraw/zinc/78/87/63/1080788763.db2.gz GDRCECOQIDCALW-JJEOQYAHSA-N 2 1 350.506 4.183 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117305 1080788767 /nfs/dbraw/zinc/78/87/67/1080788767.db2.gz GDRCECOQIDCALW-JJEOQYAHSA-N 2 1 350.506 4.183 20 0 FIADMP CCCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000236939078 1080913282 /nfs/dbraw/zinc/91/32/82/1080913282.db2.gz MHABYMJHZNBHAX-UHFFFAOYSA-N 2 1 352.522 4.272 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237675692 1080985511 /nfs/dbraw/zinc/98/55/11/1080985511.db2.gz ZUJVOWGZHBQOQQ-PGRDOPGGSA-N 2 1 365.521 4.337 20 0 FIADMP CCOC(=O)CCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312530459 1081022351 /nfs/dbraw/zinc/02/23/51/1081022351.db2.gz POTJZZRKSUQSFZ-UHFFFAOYSA-N 2 1 372.553 4.098 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3C3CCC3)cc2)C1 ZINC001648808667 1081114385 /nfs/dbraw/zinc/11/43/85/1081114385.db2.gz ZITSDNQIEZDGHV-KDURUIRLSA-N 2 1 366.553 4.376 20 0 FIADMP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655704312 1081125783 /nfs/dbraw/zinc/12/57/83/1081125783.db2.gz AICDSLSVWJBDEP-KSSFIOAISA-N 2 1 371.352 4.157 20 0 FIADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1cccc(Cl)c1 ZINC000655723434 1081140987 /nfs/dbraw/zinc/14/09/87/1081140987.db2.gz NTKLZCPRDCQBMO-FQEVSTJZSA-N 2 1 364.961 4.142 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655740979 1081158465 /nfs/dbraw/zinc/15/84/65/1081158465.db2.gz ASCVSTDQOUBKKF-UHFFFAOYSA-N 2 1 362.271 4.270 20 0 FIADMP Fc1ccc(C2CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655750598 1081172828 /nfs/dbraw/zinc/17/28/28/1081172828.db2.gz CVPZJSLNIYXZBT-ZNIKRAEXSA-N 2 1 360.517 4.085 20 0 FIADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000655764797 1081182524 /nfs/dbraw/zinc/18/25/24/1081182524.db2.gz RRZDKOWMCXQISM-LEDOBFOHSA-N 2 1 356.554 4.147 20 0 FIADMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC(F)F)cc1C ZINC001648814361 1081217949 /nfs/dbraw/zinc/21/79/49/1081217949.db2.gz JNIOEKTXVKIEDJ-GASCZTMLSA-N 2 1 354.485 4.362 20 0 FIADMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC(F)F)cc1C ZINC001648814361 1081217955 /nfs/dbraw/zinc/21/79/55/1081217955.db2.gz JNIOEKTXVKIEDJ-GASCZTMLSA-N 2 1 354.485 4.362 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000121478134 1081243446 /nfs/dbraw/zinc/24/34/46/1081243446.db2.gz QHYFXJVJKUJEOK-HUUCEWRRSA-N 2 1 351.441 4.040 20 0 FIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2OCCc4ccccc42)C3)cc1 ZINC000683692374 1081390558 /nfs/dbraw/zinc/39/05/58/1081390558.db2.gz PQIIPDWDWGNWIU-JTOYRKQZSA-N 2 1 362.517 4.086 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000580101779 1081593510 /nfs/dbraw/zinc/59/35/10/1081593510.db2.gz IOHVVGLHWMYKDE-QLBRKBSLSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000580101779 1081593518 /nfs/dbraw/zinc/59/35/18/1081593518.db2.gz IOHVVGLHWMYKDE-QLBRKBSLSA-N 2 1 363.549 4.247 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000580101779 1081593525 /nfs/dbraw/zinc/59/35/25/1081593525.db2.gz IOHVVGLHWMYKDE-QLBRKBSLSA-N 2 1 363.549 4.247 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000580487374 1081972737 /nfs/dbraw/zinc/97/27/37/1081972737.db2.gz TWSJGFGTWABFFY-VNQPRFMTSA-N 2 1 356.963 4.115 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)[C@H](C)C1 ZINC000580487374 1081972741 /nfs/dbraw/zinc/97/27/41/1081972741.db2.gz TWSJGFGTWABFFY-VNQPRFMTSA-N 2 1 356.963 4.115 20 0 FIADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000471587558 1081990895 /nfs/dbraw/zinc/99/08/95/1081990895.db2.gz UXGYZESDJYSONP-TWRVUUBYSA-N 2 1 351.538 4.103 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000471587558 1081990897 /nfs/dbraw/zinc/99/08/97/1081990897.db2.gz UXGYZESDJYSONP-TWRVUUBYSA-N 2 1 351.538 4.103 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624290149 1082004647 /nfs/dbraw/zinc/00/46/47/1082004647.db2.gz WRGHBNKAQCZIRF-QGZVFWFLSA-N 2 1 359.341 4.269 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccn3CCC(C)C)CC2)oc1C ZINC000119189429 1082011603 /nfs/dbraw/zinc/01/16/03/1082011603.db2.gz FBYBUJZHKUFVDS-UHFFFAOYSA-N 2 1 372.557 4.141 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925157 1082033387 /nfs/dbraw/zinc/03/33/87/1082033387.db2.gz DGQGDHZGSIEBPU-CMKODMSKSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925157 1082033394 /nfs/dbraw/zinc/03/33/94/1082033394.db2.gz DGQGDHZGSIEBPU-CMKODMSKSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925158 1082033579 /nfs/dbraw/zinc/03/35/79/1082033579.db2.gz DGQGDHZGSIEBPU-HBFSDRIKSA-N 2 1 368.521 4.265 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000312925158 1082033586 /nfs/dbraw/zinc/03/35/86/1082033586.db2.gz DGQGDHZGSIEBPU-HBFSDRIKSA-N 2 1 368.521 4.265 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)c1 ZINC000126840206 1082180088 /nfs/dbraw/zinc/18/00/88/1082180088.db2.gz DYFYRVIDJRUNTL-LJQANCHMSA-N 2 1 369.578 4.219 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN(c4ccccc4)CC3)C2)c1 ZINC000126840206 1082180090 /nfs/dbraw/zinc/18/00/90/1082180090.db2.gz DYFYRVIDJRUNTL-LJQANCHMSA-N 2 1 369.578 4.219 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000581103911 1082317397 /nfs/dbraw/zinc/31/73/97/1082317397.db2.gz ZGOKMWPWQKTYJA-ZJCZKGSNSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000581103911 1082317406 /nfs/dbraw/zinc/31/74/06/1082317406.db2.gz ZGOKMWPWQKTYJA-ZJCZKGSNSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000581103911 1082317414 /nfs/dbraw/zinc/31/74/14/1082317414.db2.gz ZGOKMWPWQKTYJA-ZJCZKGSNSA-N 2 1 350.453 4.107 20 0 FIADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCCC2CCOCC2)cc1 ZINC000656401790 1082332916 /nfs/dbraw/zinc/33/29/16/1082332916.db2.gz JBKMPKFAUYAPGF-XQUALCHDSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCC2CCOCC2)cc1 ZINC000656401790 1082332924 /nfs/dbraw/zinc/33/29/24/1082332924.db2.gz JBKMPKFAUYAPGF-XQUALCHDSA-N 2 1 368.565 4.036 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CCCC2CCOCC2)cc1 ZINC000656401790 1082332932 /nfs/dbraw/zinc/33/29/32/1082332932.db2.gz JBKMPKFAUYAPGF-XQUALCHDSA-N 2 1 368.565 4.036 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000581251829 1082408522 /nfs/dbraw/zinc/40/85/22/1082408522.db2.gz YBBHWZXMYPGUDO-SNVBAGLBSA-N 2 1 368.706 4.115 20 0 FIADMP C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548157572 1082419877 /nfs/dbraw/zinc/41/98/77/1082419877.db2.gz PBBBBICGJHWWHK-YJBOKZPZSA-N 2 1 362.439 4.147 20 0 FIADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000430602579 1082571697 /nfs/dbraw/zinc/57/16/97/1082571697.db2.gz WLSQMHQMFAXAAO-LAUBAEHRSA-N 2 1 353.510 4.305 20 0 FIADMP CCOCc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574979 1082672172 /nfs/dbraw/zinc/67/21/72/1082672172.db2.gz WQRRPOGTESFBRC-XXBNENTESA-N 2 1 352.522 4.223 20 0 FIADMP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157270111 1082688128 /nfs/dbraw/zinc/68/81/28/1082688128.db2.gz NWSALEMNNQVPAH-QGZVFWFLSA-N 2 1 356.432 4.078 20 0 FIADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157270111 1082688136 /nfs/dbraw/zinc/68/81/36/1082688136.db2.gz NWSALEMNNQVPAH-QGZVFWFLSA-N 2 1 356.432 4.078 20 0 FIADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666473 1082782938 /nfs/dbraw/zinc/78/29/38/1082782938.db2.gz GCDPKCJGKDREOX-JXFKEZNVSA-N 2 1 353.510 4.009 20 0 FIADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666473 1082782941 /nfs/dbraw/zinc/78/29/41/1082782941.db2.gz GCDPKCJGKDREOX-JXFKEZNVSA-N 2 1 353.510 4.009 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cncc(Br)c1 ZINC000581678619 1082795033 /nfs/dbraw/zinc/79/50/33/1082795033.db2.gz VCEHMDLUNXBOEM-LSDHHAIUSA-N 2 1 354.336 4.007 20 0 FIADMP CC(C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647192122 1082976608 /nfs/dbraw/zinc/97/66/08/1082976608.db2.gz QVLLUDPBOSKWRD-LEWJYISDSA-N 2 1 356.554 4.369 20 0 FIADMP CC(C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H]1CCCCO1 ZINC000647192122 1082976610 /nfs/dbraw/zinc/97/66/10/1082976610.db2.gz QVLLUDPBOSKWRD-LEWJYISDSA-N 2 1 356.554 4.369 20 0 FIADMP OCC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197967 1083011692 /nfs/dbraw/zinc/01/16/92/1083011692.db2.gz XCNGBIWJDCIXFU-FCHUYYIVSA-N 2 1 356.554 4.105 20 0 FIADMP OCC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCCCC1 ZINC000647197967 1083011699 /nfs/dbraw/zinc/01/16/99/1083011699.db2.gz XCNGBIWJDCIXFU-FCHUYYIVSA-N 2 1 356.554 4.105 20 0 FIADMP c1ccc(COc2cccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000090953707 1083218986 /nfs/dbraw/zinc/21/89/86/1083218986.db2.gz VZJVCWSIMCLKNG-FCHUYYIVSA-N 2 1 350.506 4.025 20 0 FIADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430913547 1083234311 /nfs/dbraw/zinc/23/43/11/1083234311.db2.gz WCSREKPRKQAPGQ-GOSISDBHSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@H](c1cccc(F)c1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913547 1083234314 /nfs/dbraw/zinc/23/43/14/1083234314.db2.gz WCSREKPRKQAPGQ-GOSISDBHSA-N 3 1 361.549 4.015 20 0 FIADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913547 1083234319 /nfs/dbraw/zinc/23/43/19/1083234319.db2.gz WCSREKPRKQAPGQ-GOSISDBHSA-N 3 1 361.549 4.015 20 0 FIADMP CO[C@@]1(C)C[C@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)C1(C)C ZINC001167493449 1083270169 /nfs/dbraw/zinc/27/01/69/1083270169.db2.gz YUYHXTVSDICIIE-UPVQGACJSA-N 2 1 372.597 4.467 20 0 FIADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658320216 1083405863 /nfs/dbraw/zinc/40/58/63/1083405863.db2.gz RUZDZRMPUAYGLH-SIKLNZKXSA-N 2 1 366.553 4.417 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCSCC1 ZINC000658319165 1083405966 /nfs/dbraw/zinc/40/59/66/1083405966.db2.gz XWYDAVIWOOFKDC-NQIIRXRSSA-N 2 1 358.595 4.410 20 0 FIADMP CCCCCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000548482325 1083454565 /nfs/dbraw/zinc/45/45/65/1083454565.db2.gz CWKRQROKWKOWOG-DENIHFKCSA-N 2 1 368.569 4.382 20 0 FIADMP C[C@H]([NH2+]CCc1ccc2ccccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483249 1083459614 /nfs/dbraw/zinc/45/96/14/1083459614.db2.gz LDZMCXSEAWMRSX-SIKLNZKXSA-N 2 1 359.517 4.278 20 0 FIADMP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000548483602 1083465891 /nfs/dbraw/zinc/46/58/91/1083465891.db2.gz VLXBSXCSTKXHLL-FXAWDEMLSA-N 2 1 356.485 4.225 20 0 FIADMP C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483456 1083468163 /nfs/dbraw/zinc/46/81/63/1083468163.db2.gz NWTPQWMMTMQUPL-IEBWSBKVSA-N 2 1 371.594 4.483 20 0 FIADMP COCC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485783 1083482748 /nfs/dbraw/zinc/48/27/48/1083482748.db2.gz DLAJICQHHICWCY-GIVPXCGWSA-N 2 1 356.510 4.166 20 0 FIADMP COCC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C)o1 ZINC000548485783 1083482756 /nfs/dbraw/zinc/48/27/56/1083482756.db2.gz DLAJICQHHICWCY-GIVPXCGWSA-N 2 1 356.510 4.166 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000535777912 1083651450 /nfs/dbraw/zinc/65/14/50/1083651450.db2.gz SNUFKRGBCPZPJB-OAHLLOKOSA-N 2 1 362.876 4.162 20 0 FIADMP CC[NH+]1CCC([N@H+](C)CC/C=C/c2ccc(Br)cc2)CC1 ZINC000531140644 1083932073 /nfs/dbraw/zinc/93/20/73/1083932073.db2.gz FFLSPWGTTGHBGN-GQCTYLIASA-N 2 1 351.332 4.269 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)CC/C=C/c2ccc(Br)cc2)CC1 ZINC000531140644 1083932078 /nfs/dbraw/zinc/93/20/78/1083932078.db2.gz FFLSPWGTTGHBGN-GQCTYLIASA-N 2 1 351.332 4.269 20 0 FIADMP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cc2c1C ZINC000472078684 1084251664 /nfs/dbraw/zinc/25/16/64/1084251664.db2.gz CVFCUWBFYIVKLP-NRFANRHFSA-N 2 1 361.533 4.439 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000685837923 1084306104 /nfs/dbraw/zinc/30/61/04/1084306104.db2.gz FGUXDVJAZMKGEE-MOKGIYGOSA-N 2 1 350.453 4.109 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000685837923 1084306113 /nfs/dbraw/zinc/30/61/13/1084306113.db2.gz FGUXDVJAZMKGEE-MOKGIYGOSA-N 2 1 350.453 4.109 20 0 FIADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055554 1084377748 /nfs/dbraw/zinc/37/77/48/1084377748.db2.gz CQORJYUSHVHLJY-QZTJIDSGSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055554 1084377757 /nfs/dbraw/zinc/37/77/57/1084377757.db2.gz CQORJYUSHVHLJY-QZTJIDSGSA-N 2 1 352.526 4.055 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cc2n(n1)CCC2 ZINC000414055554 1084377769 /nfs/dbraw/zinc/37/77/69/1084377769.db2.gz CQORJYUSHVHLJY-QZTJIDSGSA-N 2 1 352.526 4.055 20 0 FIADMP CCn1c2ccccc2nc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000685850865 1084385974 /nfs/dbraw/zinc/38/59/74/1084385974.db2.gz KCEYPLPOQNKTLG-SFTDATJTSA-N 2 1 374.532 4.010 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414066599 1084413527 /nfs/dbraw/zinc/41/35/27/1084413527.db2.gz IHGIZHURMILQJZ-CEXWTWQISA-N 2 1 366.553 4.158 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414066599 1084413536 /nfs/dbraw/zinc/41/35/36/1084413536.db2.gz IHGIZHURMILQJZ-CEXWTWQISA-N 2 1 366.553 4.158 20 0 FIADMP COCc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000657311607 1084429574 /nfs/dbraw/zinc/42/95/74/1084429574.db2.gz PHZHJBIQNJZSLO-KRWDZBQOSA-N 2 1 358.551 4.416 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000657313731 1084472614 /nfs/dbraw/zinc/47/26/14/1084472614.db2.gz NLPYTNWKCJZUFS-VQTJNVASSA-N 2 1 372.459 4.260 20 0 FIADMP Fc1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000657313731 1084472620 /nfs/dbraw/zinc/47/26/20/1084472620.db2.gz NLPYTNWKCJZUFS-VQTJNVASSA-N 2 1 372.459 4.260 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414115701 1084605281 /nfs/dbraw/zinc/60/52/81/1084605281.db2.gz NIYRILOJGHRSSO-IEBWSBKVSA-N 2 1 350.934 4.067 20 0 FIADMP Cc1ncc(C[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)o1 ZINC000414167727 1084728267 /nfs/dbraw/zinc/72/82/67/1084728267.db2.gz HBDXPNKQFAJHMO-OAQYLSRUSA-N 2 1 359.489 4.465 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226908 1084780004 /nfs/dbraw/zinc/78/00/04/1084780004.db2.gz HYQBZXOAUJWBPN-GDBMZVCRSA-N 2 1 365.543 4.011 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226908 1084780015 /nfs/dbraw/zinc/78/00/15/1084780015.db2.gz HYQBZXOAUJWBPN-GDBMZVCRSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226908 1084780026 /nfs/dbraw/zinc/78/00/26/1084780026.db2.gz HYQBZXOAUJWBPN-GDBMZVCRSA-N 2 1 365.543 4.011 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000892226908 1084780035 /nfs/dbraw/zinc/78/00/35/1084780035.db2.gz HYQBZXOAUJWBPN-GDBMZVCRSA-N 2 1 365.543 4.011 20 0 FIADMP COCc1csc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000657375414 1084798669 /nfs/dbraw/zinc/79/86/69/1084798669.db2.gz YDPUHOAIVUTBRX-UHFFFAOYSA-N 2 1 370.518 4.409 20 0 FIADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000613491979 1084823624 /nfs/dbraw/zinc/82/36/24/1084823624.db2.gz FLORKOFPPMXUIG-UHFFFAOYSA-N 2 1 359.558 4.192 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000613491979 1084823632 /nfs/dbraw/zinc/82/36/32/1084823632.db2.gz FLORKOFPPMXUIG-UHFFFAOYSA-N 2 1 359.558 4.192 20 0 FIADMP C(CC[N@H+]1CCC[C@@]2(CCSC2)C1)C[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000582282489 1084828340 /nfs/dbraw/zinc/82/83/40/1084828340.db2.gz BBHBONBWBBXEHV-WOJBJXKFSA-N 2 1 368.656 4.205 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000582281760 1084832694 /nfs/dbraw/zinc/83/26/94/1084832694.db2.gz FUARZKLMNRNTPS-SAWYMBPVSA-N 2 1 362.477 4.147 20 0 FIADMP COCC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccco1 ZINC000582486968 1085063116 /nfs/dbraw/zinc/06/31/16/1085063116.db2.gz UOVFVNVFTKNFAY-VQTJNVASSA-N 2 1 354.494 4.144 20 0 FIADMP CC[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657462091 1085123407 /nfs/dbraw/zinc/12/34/07/1085123407.db2.gz CKHFXPKFQKGDLR-PFKGZQGLSA-N 2 1 362.945 4.411 20 0 FIADMP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000544142368 1085130735 /nfs/dbraw/zinc/13/07/35/1085130735.db2.gz PTRSOGZHLCEWIY-LJQANCHMSA-N 2 1 352.563 4.086 20 0 FIADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000563415148 1085244063 /nfs/dbraw/zinc/24/40/63/1085244063.db2.gz BXNJTNDGAWQBAS-KSZLIROESA-N 2 1 352.526 4.114 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000684957854 1085313492 /nfs/dbraw/zinc/31/34/92/1085313492.db2.gz YXUFDEPDTZDEQF-JOCHJYFZSA-N 2 1 361.489 4.474 20 0 FIADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000549528409 1085368068 /nfs/dbraw/zinc/36/80/68/1085368068.db2.gz XZARLXYKYMHOPJ-IOMROCGXSA-N 2 1 358.526 4.022 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421852774 1085391589 /nfs/dbraw/zinc/39/15/89/1085391589.db2.gz ISRNSHUIJSUTPU-GMAHTHKFSA-N 2 1 363.549 4.219 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421852774 1085391595 /nfs/dbraw/zinc/39/15/95/1085391595.db2.gz ISRNSHUIJSUTPU-GMAHTHKFSA-N 2 1 363.549 4.219 20 0 FIADMP C[C@H](CC[N@H+]1CC[C@H](CC(F)(F)F)C1)[NH+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707419 1085549959 /nfs/dbraw/zinc/54/99/59/1085549959.db2.gz PPINBRFXOFPQKG-MCIONIFRSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@H](CC(F)(F)F)C1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707419 1085549966 /nfs/dbraw/zinc/54/99/66/1085549966.db2.gz PPINBRFXOFPQKG-MCIONIFRSA-N 2 1 360.386 4.314 20 0 FIADMP C[C@H](CC[NH+]1CC[C@H](CC(F)(F)F)C1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707419 1085549975 /nfs/dbraw/zinc/54/99/75/1085549975.db2.gz PPINBRFXOFPQKG-MCIONIFRSA-N 2 1 360.386 4.314 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000651875522 1085585587 /nfs/dbraw/zinc/58/55/87/1085585587.db2.gz LUUQQDDWDJGJGH-INIZCTEOSA-N 2 1 352.507 4.188 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C4CCCC4)c3)cc2)C1 ZINC000657594580 1085659309 /nfs/dbraw/zinc/65/93/09/1085659309.db2.gz BVDMVLYVOVKIHK-XMMPIXPASA-N 2 1 364.533 4.201 20 0 FIADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000582757783 1085677313 /nfs/dbraw/zinc/67/73/13/1085677313.db2.gz WAPHWCVBNZZKAF-ARBVUSPFSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000582757787 1085677591 /nfs/dbraw/zinc/67/75/91/1085677591.db2.gz WAPHWCVBNZZKAF-HRSGCLKMSA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000582757830 1085679671 /nfs/dbraw/zinc/67/96/71/1085679671.db2.gz WAPHWCVBNZZKAF-QDWFBIQASA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000582757830 1085679681 /nfs/dbraw/zinc/67/96/81/1085679681.db2.gz WAPHWCVBNZZKAF-QDWFBIQASA-N 2 1 350.453 4.107 20 0 FIADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000582757830 1085679686 /nfs/dbraw/zinc/67/96/86/1085679686.db2.gz WAPHWCVBNZZKAF-QDWFBIQASA-N 2 1 350.453 4.107 20 0 FIADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(C(F)(F)F)c1 ZINC001143517478 1085809110 /nfs/dbraw/zinc/80/91/10/1085809110.db2.gz MWMUPFKDGAWAON-UHFFFAOYSA-N 2 1 358.448 4.266 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636301 1085906449 /nfs/dbraw/zinc/90/64/49/1085906449.db2.gz OGDFCYGMSIJMHW-ZTFGCOKTSA-N 2 1 371.550 4.405 20 0 FIADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cc1 ZINC000161636301 1085906453 /nfs/dbraw/zinc/90/64/53/1085906453.db2.gz OGDFCYGMSIJMHW-ZTFGCOKTSA-N 2 1 371.550 4.405 20 0 FIADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347987 1085919066 /nfs/dbraw/zinc/91/90/66/1085919066.db2.gz QTEIBWOQEBOWEA-FHIHXZLISA-N 2 1 357.325 4.273 20 0 FIADMP CN(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)c1ccccc1 ZINC001167646581 1086009502 /nfs/dbraw/zinc/00/95/02/1086009502.db2.gz FKJDLBKNWSNSFQ-VWNXMTODSA-N 2 1 363.549 4.109 20 0 FIADMP C[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)c1cccc(Cl)c1 ZINC000188262381 1086283875 /nfs/dbraw/zinc/28/38/75/1086283875.db2.gz RUBTZNQZTATELL-QGZVFWFLSA-N 2 1 350.934 4.068 20 0 FIADMP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001167658183 1086375409 /nfs/dbraw/zinc/37/54/09/1086375409.db2.gz CIRPTGXYDUSHSU-IEBWSBKVSA-N 2 1 352.563 4.083 20 0 FIADMP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001167658183 1086375421 /nfs/dbraw/zinc/37/54/21/1086375421.db2.gz CIRPTGXYDUSHSU-IEBWSBKVSA-N 2 1 352.563 4.083 20 0 FIADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327977 1086418731 /nfs/dbraw/zinc/41/87/31/1086418731.db2.gz WWRPAGHLKHQBBD-CQSZACIVSA-N 2 1 374.479 4.096 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216745 1086420690 /nfs/dbraw/zinc/42/06/90/1086420690.db2.gz DEYNLNZMJRFERH-QVGHQYEOSA-N 2 1 366.549 4.041 20 0 FIADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000583216745 1086420701 /nfs/dbraw/zinc/42/07/01/1086420701.db2.gz DEYNLNZMJRFERH-QVGHQYEOSA-N 2 1 366.549 4.041 20 0 FIADMP CC(C)(C)c1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000161598500 1086424041 /nfs/dbraw/zinc/42/40/41/1086424041.db2.gz WBSZPMZAFUQQDS-RBBKRZOGSA-N 2 1 355.570 4.169 20 0 FIADMP Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000662504876 1086475134 /nfs/dbraw/zinc/47/51/34/1086475134.db2.gz GKERALXLSIECDU-QFIPXVFZSA-N 2 1 364.537 4.151 20 0 FIADMP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162787389 1086482602 /nfs/dbraw/zinc/48/26/02/1086482602.db2.gz SDAKHRXFEXNCJN-QGZVFWFLSA-N 2 1 371.525 4.253 20 0 FIADMP COc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000643375264 1086559128 /nfs/dbraw/zinc/55/91/28/1086559128.db2.gz VDIMGUBTWHOECI-FPOVZHCZSA-N 2 1 368.521 4.107 20 0 FIADMP COc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000643375264 1086559133 /nfs/dbraw/zinc/55/91/33/1086559133.db2.gz VDIMGUBTWHOECI-FPOVZHCZSA-N 2 1 368.521 4.107 20 0 FIADMP Brc1cc2c(s1)CC[C@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463671 1086563297 /nfs/dbraw/zinc/56/32/97/1086563297.db2.gz AXVDYNMNLZBECC-UKRRQHHQSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463671 1086563302 /nfs/dbraw/zinc/56/33/02/1086563302.db2.gz AXVDYNMNLZBECC-UKRRQHHQSA-N 2 1 369.372 4.210 20 0 FIADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463671 1086563306 /nfs/dbraw/zinc/56/33/06/1086563306.db2.gz AXVDYNMNLZBECC-UKRRQHHQSA-N 2 1 369.372 4.210 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472821 1086579558 /nfs/dbraw/zinc/57/95/58/1086579558.db2.gz ARNDYDLSNKWHDS-BEFAXECRSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472821 1086579564 /nfs/dbraw/zinc/57/95/64/1086579564.db2.gz ARNDYDLSNKWHDS-BEFAXECRSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472821 1086579569 /nfs/dbraw/zinc/57/95/69/1086579569.db2.gz ARNDYDLSNKWHDS-BEFAXECRSA-N 2 1 363.427 4.101 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001167825018 1086611467 /nfs/dbraw/zinc/61/14/67/1086611467.db2.gz PSWNAARNUISHOH-SJBKTWHCSA-N 2 1 359.558 4.073 20 0 FIADMP COCCN1CCC([NH2+]Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC001648931186 1086622956 /nfs/dbraw/zinc/62/29/56/1086622956.db2.gz VKUNBPYJASDFRQ-UHFFFAOYSA-N 2 1 374.912 4.333 20 0 FIADMP CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001648938218 1086635641 /nfs/dbraw/zinc/63/56/41/1086635641.db2.gz HTJGTYBAMQIVMT-UHFFFAOYSA-N 2 1 369.597 4.210 20 0 FIADMP CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC001648938218 1086635644 /nfs/dbraw/zinc/63/56/44/1086635644.db2.gz HTJGTYBAMQIVMT-UHFFFAOYSA-N 2 1 369.597 4.210 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)C1 ZINC000548794520 1086672275 /nfs/dbraw/zinc/67/22/75/1086672275.db2.gz KDZKWXYFWDUTLN-XQBPLPMBSA-N 2 1 356.554 4.213 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H](C)COC ZINC001167838063 1086712555 /nfs/dbraw/zinc/71/25/55/1086712555.db2.gz PFQUNHFSYJSECK-OALUTQOASA-N 2 1 350.547 4.043 20 0 FIADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)n21 ZINC000583469846 1086715167 /nfs/dbraw/zinc/71/51/67/1086715167.db2.gz GYTQJHZFFREMQL-OAQYLSRUSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)n21 ZINC000583469846 1086715173 /nfs/dbraw/zinc/71/51/73/1086715173.db2.gz GYTQJHZFFREMQL-OAQYLSRUSA-N 2 1 362.521 4.035 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)sc1Br ZINC000512055517 1086717061 /nfs/dbraw/zinc/71/70/61/1086717061.db2.gz DDECMDSVPVCERL-CMPLNLGQSA-N 2 1 356.333 4.311 20 0 FIADMP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278950472 1086719913 /nfs/dbraw/zinc/71/99/13/1086719913.db2.gz VORPRMOXLNUJNK-OAHLLOKOSA-N 2 1 350.466 4.301 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413231 1086736568 /nfs/dbraw/zinc/73/65/68/1086736568.db2.gz LMBGGSLROUUIKV-KXBFYZLASA-N 2 1 370.459 4.247 20 0 FIADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CCCO1 ZINC000432419078 1086743041 /nfs/dbraw/zinc/74/30/41/1086743041.db2.gz YSVUTKZZOWSYEQ-YVWKXTFCSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CCCO1 ZINC000432419078 1086743046 /nfs/dbraw/zinc/74/30/46/1086743046.db2.gz YSVUTKZZOWSYEQ-YVWKXTFCSA-N 2 1 350.934 4.067 20 0 FIADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422561 1086747668 /nfs/dbraw/zinc/74/76/68/1086747668.db2.gz FUVMRCOJSCPNJG-SUMWQHHRSA-N 2 1 357.325 4.071 20 0 FIADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432424576 1086748960 /nfs/dbraw/zinc/74/89/60/1086748960.db2.gz PGUFCYTUUKMARB-RXVVDRJESA-N 2 1 360.542 4.114 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)C1 ZINC000650705606 1086750875 /nfs/dbraw/zinc/75/08/75/1086750875.db2.gz NNGKHBCKIKRPDI-TXTKFYIRSA-N 2 1 366.505 4.197 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245607540 1086804053 /nfs/dbraw/zinc/80/40/53/1086804053.db2.gz NNOHKUIPKGRMID-KPFFTGBYSA-N 2 1 368.525 4.225 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000512133655 1086809794 /nfs/dbraw/zinc/80/97/94/1086809794.db2.gz VXYXNVBOMOKJFI-UHFFFAOYSA-N 2 1 368.521 4.370 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000728571430 1086869556 /nfs/dbraw/zinc/86/95/56/1086869556.db2.gz DWVXGVSISUUVDS-SFHVURJKSA-N 2 1 373.585 4.363 20 0 FIADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cc2ccncc2s1 ZINC000657827064 1087168456 /nfs/dbraw/zinc/16/84/56/1087168456.db2.gz LDCMJQGKHOGFRT-INIZCTEOSA-N 2 1 351.519 4.395 20 0 FIADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cc2ccncc2s1 ZINC000657827064 1087168459 /nfs/dbraw/zinc/16/84/59/1087168459.db2.gz LDCMJQGKHOGFRT-INIZCTEOSA-N 2 1 351.519 4.395 20 0 FIADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657834443 1087214609 /nfs/dbraw/zinc/21/46/09/1087214609.db2.gz KBFYWRHNGZDPDH-GXTWGEPZSA-N 2 1 360.851 4.364 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(-c3ccccn3)s2)c1 ZINC000084656539 1087356772 /nfs/dbraw/zinc/35/67/72/1087356772.db2.gz CRUIRWKCMBDLCR-UHFFFAOYSA-N 2 1 366.534 4.335 20 0 FIADMP CO[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000090173165 1087410770 /nfs/dbraw/zinc/41/07/70/1087410770.db2.gz BRVKGIDHMSVKGY-HXUWFJFHSA-N 2 1 350.934 4.414 20 0 FIADMP COc1cc2ccc([C@@H](C)[NH2+]C[C@H](C)Cn3cc[nH+]c3C)cc2cc1OC ZINC000657868738 1087456434 /nfs/dbraw/zinc/45/64/34/1087456434.db2.gz DJLPKROLIOHXDA-JKSUJKDBSA-N 2 1 367.493 4.349 20 0 FIADMP C[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685425673 1087565267 /nfs/dbraw/zinc/56/52/67/1087565267.db2.gz UWVSWOSKRAWNSB-DSKINZAPSA-N 2 1 354.542 4.008 20 0 FIADMP c1coc(C2=CCC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)c1 ZINC000685436666 1087567876 /nfs/dbraw/zinc/56/78/76/1087567876.db2.gz RQIQVXQHPFUZBL-UHFFFAOYSA-N 2 1 352.478 4.044 20 0 FIADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC ZINC000685463115 1087575632 /nfs/dbraw/zinc/57/56/32/1087575632.db2.gz GRWNLPSEMQBHSN-YLJYHZDGSA-N 2 1 360.542 4.036 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc4ccncc4s3)CC2)nc(C)[nH+]1 ZINC000657899358 1087593748 /nfs/dbraw/zinc/59/37/48/1087593748.db2.gz ACQKXDXEXCJMOU-CQSZACIVSA-N 2 1 367.522 4.023 20 0 FIADMP COc1ccc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1O ZINC000685649176 1087656807 /nfs/dbraw/zinc/65/68/07/1087656807.db2.gz CCLYFYQHCPYIOO-MIVHDCIWSA-N 2 1 368.521 4.208 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccncc2s1 ZINC000657999163 1087696531 /nfs/dbraw/zinc/69/65/31/1087696531.db2.gz SQUJQOXOMFRQFJ-WMZOPIPTSA-N 2 1 351.519 4.469 20 0 FIADMP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658143557 1087735456 /nfs/dbraw/zinc/73/54/56/1087735456.db2.gz ZHUYNVREMRVGRZ-PKTZIBPZSA-N 2 1 352.522 4.130 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000658143554 1087735761 /nfs/dbraw/zinc/73/57/61/1087735761.db2.gz ZHUYNVREMRVGRZ-DHIUTWEWSA-N 2 1 352.522 4.130 20 0 FIADMP CCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658138000 1087741512 /nfs/dbraw/zinc/74/15/12/1087741512.db2.gz LNTGYYCPKXADNE-DYESRHJHSA-N 2 1 370.562 4.216 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccs1 ZINC000658137531 1087741897 /nfs/dbraw/zinc/74/18/97/1087741897.db2.gz HIIJQMLYZJFJKB-WOJBJXKFSA-N 2 1 358.551 4.192 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137319 1087742062 /nfs/dbraw/zinc/74/20/62/1087742062.db2.gz GLFMTADMPPNYJJ-IRXDYDNUSA-N 2 1 364.942 4.209 20 0 FIADMP CC(C)CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658139247 1087745536 /nfs/dbraw/zinc/74/55/36/1087745536.db2.gz PMVQZBZRJBYDES-YADHBBJMSA-N 2 1 356.510 4.113 20 0 FIADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000548860832 1087746535 /nfs/dbraw/zinc/74/65/35/1087746535.db2.gz XZMGOWOIKOLVOR-JOCHJYFZSA-N 2 1 356.554 4.500 20 0 FIADMP CC[C@@H]1C[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@@H]1[NH3+] ZINC000647934495 1087787873 /nfs/dbraw/zinc/78/78/73/1087787873.db2.gz HEFORBIVQXWKOL-BEFAXECRSA-N 2 1 365.477 4.063 20 0 FIADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC[C@@H]1[NH3+] ZINC000647934495 1087787889 /nfs/dbraw/zinc/78/78/89/1087787889.db2.gz HEFORBIVQXWKOL-BEFAXECRSA-N 2 1 365.477 4.063 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658206279 1087794787 /nfs/dbraw/zinc/79/47/87/1087794787.db2.gz IJJUEBKCPZCTPM-DLTYFMDKSA-N 2 1 364.533 4.059 20 0 FIADMP COCc1csc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000658210366 1087799033 /nfs/dbraw/zinc/79/90/33/1087799033.db2.gz RDDHNJBCYKDBQN-UHFFFAOYSA-N 2 1 358.551 4.427 20 0 FIADMP CCCOc1c(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424378686 1087963667 /nfs/dbraw/zinc/96/36/67/1087963667.db2.gz NKVWQVHBASVZJD-HNNXBMFYSA-N 2 1 366.933 4.101 20 0 FIADMP CCOCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000782955096 1088739365 /nfs/dbraw/zinc/73/93/65/1088739365.db2.gz BWIPSCVBKZHYAS-IBGZPJMESA-N 2 1 374.550 4.123 20 0 FIADMP CCOCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000782955096 1088739380 /nfs/dbraw/zinc/73/93/80/1088739380.db2.gz BWIPSCVBKZHYAS-IBGZPJMESA-N 2 1 374.550 4.123 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)CCCC2)CC1 ZINC000468555015 1089001152 /nfs/dbraw/zinc/00/11/52/1089001152.db2.gz PFVHFWZVCMJTBG-FCHUYYIVSA-N 2 1 356.554 4.336 20 0 FIADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000434777262 1089031869 /nfs/dbraw/zinc/03/18/69/1089031869.db2.gz PFGXKTYQVMNCIA-PGRDOPGGSA-N 2 1 374.569 4.091 20 0 FIADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000415081800 1089137133 /nfs/dbraw/zinc/13/71/33/1089137133.db2.gz NMDMWLDXIYZBHI-JTAQYXEDSA-N 2 1 366.505 4.238 20 0 FIADMP Brc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000415090977 1089155779 /nfs/dbraw/zinc/15/57/79/1089155779.db2.gz YHLPJDJVOJMYCE-UKRRQHHQSA-N 2 1 351.313 4.094 20 0 FIADMP c1coc(-c2ncc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)s2)c1 ZINC000435062030 1089252217 /nfs/dbraw/zinc/25/22/17/1089252217.db2.gz WHRTUOUOCVUFOG-UHFFFAOYSA-N 2 1 368.506 4.316 20 0 FIADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374807 1089566267 /nfs/dbraw/zinc/56/62/67/1089566267.db2.gz YOWMZTHOFFTAGI-GJZGRUSLSA-N 2 1 360.933 4.128 20 0 FIADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000435374807 1089566278 /nfs/dbraw/zinc/56/62/78/1089566278.db2.gz YOWMZTHOFFTAGI-GJZGRUSLSA-N 2 1 360.933 4.128 20 0 FIADMP c1csc(C[N@H+](Cc2ccc3ccccc3c2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435430279 1089647503 /nfs/dbraw/zinc/64/75/03/1089647503.db2.gz ZXTJRUYNBMXWKT-HXUWFJFHSA-N 2 1 363.530 4.441 20 0 FIADMP c1csc(C[N@@H+](Cc2ccc3ccccc3c2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435430279 1089647512 /nfs/dbraw/zinc/64/75/12/1089647512.db2.gz ZXTJRUYNBMXWKT-HXUWFJFHSA-N 2 1 363.530 4.441 20 0 FIADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4ccsc43)CC2)CC1 ZINC000514948137 1089659501 /nfs/dbraw/zinc/65/95/01/1089659501.db2.gz VIZHRXASRFBHIB-UHFFFAOYSA-N 2 1 371.550 4.036 20 0 FIADMP CC(C)C[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236790827 1089783726 /nfs/dbraw/zinc/78/37/26/1089783726.db2.gz RYPISJCLBIJWHL-UHFFFAOYSA-N 2 1 369.336 4.479 20 0 FIADMP CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000312148359 1090319167 /nfs/dbraw/zinc/31/91/67/1090319167.db2.gz DCBKYDQGTJQECS-BJLQDIEVSA-N 2 1 371.525 4.237 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182564257 1090361442 /nfs/dbraw/zinc/36/14/42/1090361442.db2.gz XJKOGPALSFUEKW-VQTJNVASSA-N 3 1 373.585 4.064 20 0 FIADMP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182564257 1090361447 /nfs/dbraw/zinc/36/14/47/1090361447.db2.gz XJKOGPALSFUEKW-VQTJNVASSA-N 2 1 373.585 4.064 20 0 FIADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182564257 1090361453 /nfs/dbraw/zinc/36/14/53/1090361453.db2.gz XJKOGPALSFUEKW-VQTJNVASSA-N 2 1 373.585 4.064 20 0 FIADMP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000312454391 1090822511 /nfs/dbraw/zinc/82/25/11/1090822511.db2.gz KITPJQCOVFYMNR-QHCPKHFHSA-N 2 1 360.505 4.079 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511621218 1090838617 /nfs/dbraw/zinc/83/86/17/1090838617.db2.gz BSUHWWCJYNNMBY-ACJLOTCBSA-N 2 1 367.415 4.467 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257717 1090953209 /nfs/dbraw/zinc/95/32/09/1090953209.db2.gz WDWNKXSKIYNCRS-KGLIPLIRSA-N 2 1 356.432 4.170 20 0 FIADMP C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660257717 1090953216 /nfs/dbraw/zinc/95/32/16/1090953216.db2.gz WDWNKXSKIYNCRS-KGLIPLIRSA-N 2 1 356.432 4.170 20 0 FIADMP FC(F)(F)Cc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000893330065 1091023012 /nfs/dbraw/zinc/02/30/12/1091023012.db2.gz GJRDHPNZQQBXET-UHFFFAOYSA-N 2 1 369.456 4.134 20 0 FIADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927085 1091101167 /nfs/dbraw/zinc/10/11/67/1091101167.db2.gz HVJSGFBEFZHVQP-XAPVIXHLSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927085 1091101170 /nfs/dbraw/zinc/10/11/70/1091101170.db2.gz HVJSGFBEFZHVQP-XAPVIXHLSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927085 1091101175 /nfs/dbraw/zinc/10/11/75/1091101175.db2.gz HVJSGFBEFZHVQP-XAPVIXHLSA-N 2 1 357.586 4.168 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001648927085 1091101179 /nfs/dbraw/zinc/10/11/79/1091101179.db2.gz HVJSGFBEFZHVQP-XAPVIXHLSA-N 2 1 357.586 4.168 20 0 FIADMP COCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677835 1091388088 /nfs/dbraw/zinc/38/80/88/1091388088.db2.gz UUMLTIOIWDQYSJ-QFIPXVFZSA-N 2 1 352.522 4.223 20 0 FIADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677835 1091388099 /nfs/dbraw/zinc/38/80/99/1091388099.db2.gz UUMLTIOIWDQYSJ-QFIPXVFZSA-N 2 1 352.522 4.223 20 0 FIADMP COCC[N@@H+](C)CC[C@H](Nc1cc[nH+]c2cc(F)ccc12)c1ccccc1 ZINC000500408396 1091458140 /nfs/dbraw/zinc/45/81/40/1091458140.db2.gz KMZSXCATGINEIH-FQEVSTJZSA-N 2 1 367.468 4.495 20 0 FIADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511751891 1091616345 /nfs/dbraw/zinc/61/63/45/1091616345.db2.gz BCQYLWAOANJNQM-SGNDLWITSA-N 2 1 373.500 4.185 20 0 FIADMP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511766248 1091651869 /nfs/dbraw/zinc/65/18/69/1091651869.db2.gz DGSYISHTLVXBEG-OTWHNJEPSA-N 2 1 357.542 4.262 20 0 FIADMP COc1c(F)cccc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001143530475 1091780903 /nfs/dbraw/zinc/78/09/03/1091780903.db2.gz YDWPPQJFXSUDFT-UHFFFAOYSA-N 2 1 356.485 4.178 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CSC(C)(C)C)CC2)oc1C ZINC000162751794 1091798212 /nfs/dbraw/zinc/79/82/12/1091798212.db2.gz MOMYDIMWXKLMJC-CQSZACIVSA-N 2 1 353.576 4.013 20 0 FIADMP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237457 1091946212 /nfs/dbraw/zinc/94/62/12/1091946212.db2.gz RJZZTCQVMSMWKO-BJKOFHAPSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237457 1091946215 /nfs/dbraw/zinc/94/62/15/1091946215.db2.gz RJZZTCQVMSMWKO-BJKOFHAPSA-N 2 1 364.533 4.362 20 0 FIADMP COCC[C@@H](c1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237457 1091946216 /nfs/dbraw/zinc/94/62/16/1091946216.db2.gz RJZZTCQVMSMWKO-BJKOFHAPSA-N 2 1 364.533 4.362 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000512312341 1092031289 /nfs/dbraw/zinc/03/12/89/1092031289.db2.gz CYTYUBXJWBYOPY-XYJFISCASA-N 2 1 369.553 4.220 20 0 FIADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)c(OC)c1 ZINC000512314226 1092031409 /nfs/dbraw/zinc/03/14/09/1092031409.db2.gz NNOLVQRNNWGTJD-HQRMLTQVSA-N 2 1 360.542 4.398 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2Cc3ccccc3O2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011930 1092308375 /nfs/dbraw/zinc/30/83/75/1092308375.db2.gz UJFDDQINVYCORQ-GMQQQROESA-N 2 1 350.506 4.021 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(F)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012513 1092341129 /nfs/dbraw/zinc/34/11/29/1092341129.db2.gz BHRVRYRTPBSTCE-AAUAJYIVSA-N 2 1 370.512 4.280 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012513 1092341141 /nfs/dbraw/zinc/34/11/41/1092341141.db2.gz BHRVRYRTPBSTCE-AAUAJYIVSA-N 2 1 370.512 4.280 20 0 FIADMP COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)cc1 ZINC000432792903 1092382713 /nfs/dbraw/zinc/38/27/13/1092382713.db2.gz MPDCEEGVGRQHRS-IBGZPJMESA-N 2 1 354.494 4.404 20 0 FIADMP COc1ccc(Oc2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2)cc1 ZINC000432792903 1092382726 /nfs/dbraw/zinc/38/27/26/1092382726.db2.gz MPDCEEGVGRQHRS-IBGZPJMESA-N 2 1 354.494 4.404 20 0 FIADMP COc1ccc([C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665273982 1092435803 /nfs/dbraw/zinc/43/58/03/1092435803.db2.gz HERWSIPNRLTERM-BEVRRMAYSA-N 2 1 350.453 4.046 20 0 FIADMP C[N@@H+](Cc1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000237166610 1092466431 /nfs/dbraw/zinc/46/64/31/1092466431.db2.gz RZZIDUOHPHKMDU-CTXDPNEZSA-N 2 1 369.553 4.310 20 0 FIADMP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000521372650 1092665982 /nfs/dbraw/zinc/66/59/82/1092665982.db2.gz DESUAZOAIRXVBC-SFHVURJKSA-N 2 1 374.573 4.303 20 0 FIADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000512542566 1092740841 /nfs/dbraw/zinc/74/08/41/1092740841.db2.gz RAMRKXXVSQLNHD-HXUWFJFHSA-N 2 1 359.901 4.059 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000549802666 1092791467 /nfs/dbraw/zinc/79/14/67/1092791467.db2.gz VQZFPCVFRFPDHE-UHFFFAOYSA-N 2 1 368.569 4.339 20 0 FIADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccccc2)s1 ZINC000442869729 1092816935 /nfs/dbraw/zinc/81/69/35/1092816935.db2.gz FFDVAFFJIHERIX-KRWDZBQOSA-N 2 1 357.567 4.092 20 0 FIADMP CC(C)C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442870815 1092817038 /nfs/dbraw/zinc/81/70/38/1092817038.db2.gz ABQRIRBIZOSNSK-LJQANCHMSA-N 2 1 351.966 4.043 20 0 FIADMP COCCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(F)cc1 ZINC000442871573 1092820629 /nfs/dbraw/zinc/82/06/29/1092820629.db2.gz LYWVWDPOGFOEFT-RXVVDRJESA-N 2 1 350.522 4.251 20 0 FIADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063954 1092925091 /nfs/dbraw/zinc/92/50/91/1092925091.db2.gz XNRHJLNQETVDAP-QZTJIDSGSA-N 2 1 351.494 4.061 20 0 FIADMP COc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000521817857 1092937292 /nfs/dbraw/zinc/93/72/92/1092937292.db2.gz VBODDWZGDPLHLE-KDURUIRLSA-N 2 1 352.522 4.463 20 0 FIADMP C[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443218583 1092994666 /nfs/dbraw/zinc/99/46/66/1092994666.db2.gz FUEJLIUWRMUSMJ-IXDOHACOSA-N 2 1 354.498 4.266 20 0 FIADMP COCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512653423 1093080015 /nfs/dbraw/zinc/08/00/15/1093080015.db2.gz FDPWQVLRHVWNDA-FDFHNCONSA-N 2 1 356.554 4.084 20 0 FIADMP COC(=O)c1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168016355 1093085277 /nfs/dbraw/zinc/08/52/77/1093085277.db2.gz VMASDTDKAGLVSB-QZTJIDSGSA-N 2 1 366.505 4.004 20 0 FIADMP COc1ccc([C@H](CNc2cc[nH+]c3ccsc32)[NH+](C)C)cc1OC ZINC000443438633 1093130974 /nfs/dbraw/zinc/13/09/74/1093130974.db2.gz FTRKZPKMERJKNZ-INIZCTEOSA-N 2 1 357.479 4.028 20 0 FIADMP C[NH+](C)C1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000433051630 1093162198 /nfs/dbraw/zinc/16/21/98/1093162198.db2.gz IBOXQECXTFMSFA-UHFFFAOYSA-N 2 1 374.326 4.405 20 0 FIADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])c3ncccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019207 1093181225 /nfs/dbraw/zinc/18/12/25/1093181225.db2.gz HMWRQVVKCRYHFA-RMFSNUHRSA-N 2 1 362.521 4.152 20 0 FIADMP CC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168020462 1093213296 /nfs/dbraw/zinc/21/32/96/1093213296.db2.gz NCNSYFZXGOZKAS-FEJSZKPUSA-N 2 1 350.506 4.420 20 0 FIADMP CC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168020462 1093213301 /nfs/dbraw/zinc/21/33/01/1093213301.db2.gz NCNSYFZXGOZKAS-FEJSZKPUSA-N 2 1 350.506 4.420 20 0 FIADMP C[C@](O)(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000248993156 1093323334 /nfs/dbraw/zinc/32/33/34/1093323334.db2.gz NYTLATQKESBBEC-XQUALCHDSA-N 2 1 364.533 4.069 20 0 FIADMP COCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168024302 1093385946 /nfs/dbraw/zinc/38/59/46/1093385946.db2.gz DVKJGZHBWMEXPV-BBIADKPPSA-N 2 1 352.522 4.364 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000512847723 1093446474 /nfs/dbraw/zinc/44/64/74/1093446474.db2.gz ZGEXOHZRWKSJCP-INIZCTEOSA-N 2 1 374.960 4.497 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000512847723 1093446477 /nfs/dbraw/zinc/44/64/77/1093446477.db2.gz ZGEXOHZRWKSJCP-INIZCTEOSA-N 2 1 374.960 4.497 20 0 FIADMP CCOc1cc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1O ZINC001168026892 1093498814 /nfs/dbraw/zinc/49/88/14/1093498814.db2.gz LXDXUEVXFJUNAM-ROUUACIJSA-N 2 1 368.521 4.322 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168026978 1093501701 /nfs/dbraw/zinc/50/17/01/1093501701.db2.gz MVQFNTWMTTYRMM-WOSNLTMFSA-N 2 1 372.940 4.405 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433322023 1093583423 /nfs/dbraw/zinc/58/34/23/1093583423.db2.gz OXKOXTVABFRDBX-QGZVFWFLSA-N 2 1 364.493 4.334 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277632 1093646876 /nfs/dbraw/zinc/64/68/76/1093646876.db2.gz ZMRJFELGFMTCNY-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277632 1093646878 /nfs/dbraw/zinc/64/68/78/1093646878.db2.gz ZMRJFELGFMTCNY-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277632 1093646882 /nfs/dbraw/zinc/64/68/82/1093646882.db2.gz ZMRJFELGFMTCNY-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000474277632 1093646884 /nfs/dbraw/zinc/64/68/84/1093646884.db2.gz ZMRJFELGFMTCNY-NFBKMPQASA-N 2 1 351.538 4.308 20 0 FIADMP Clc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cs2)cc1 ZINC000246447123 1093677111 /nfs/dbraw/zinc/67/71/11/1093677111.db2.gz OZZIFLSSCKZDLR-WMZOPIPTSA-N 2 1 361.942 4.222 20 0 FIADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000474357936 1093705616 /nfs/dbraw/zinc/70/56/16/1093705616.db2.gz VULYZOCGIIDBQG-UHFFFAOYSA-N 2 1 369.534 4.437 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000052209960 1093768354 /nfs/dbraw/zinc/76/83/54/1093768354.db2.gz GMEIGEWEACTHAD-UHFFFAOYSA-N 2 1 365.949 4.113 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078917 1093780516 /nfs/dbraw/zinc/78/05/16/1093780516.db2.gz XNNNSPANOYARGD-BAGYTPMASA-N 2 1 369.553 4.305 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000576399585 1093797406 /nfs/dbraw/zinc/79/74/06/1093797406.db2.gz PPRZQNOJAQCZOG-MXNKGDRCSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000576399585 1093797414 /nfs/dbraw/zinc/79/74/14/1093797414.db2.gz PPRZQNOJAQCZOG-MXNKGDRCSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387472 1093803619 /nfs/dbraw/zinc/80/36/19/1093803619.db2.gz GQXWRMQCUQJNIH-SFHVURJKSA-N 2 1 360.505 4.152 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614387472 1093803625 /nfs/dbraw/zinc/80/36/25/1093803625.db2.gz GQXWRMQCUQJNIH-SFHVURJKSA-N 2 1 360.505 4.152 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000246531382 1093940820 /nfs/dbraw/zinc/94/08/20/1093940820.db2.gz VILQQVNWSVQOFL-BMFZPTHFSA-N 2 1 369.372 4.146 20 0 FIADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1C(F)(F)F ZINC000246541118 1094001269 /nfs/dbraw/zinc/00/12/69/1094001269.db2.gz VXFXMAJQRIKRGT-HRCADAONSA-N 2 1 356.432 4.079 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000513232176 1094014376 /nfs/dbraw/zinc/01/43/76/1094014376.db2.gz GLWJFMKKLCBWCB-DYESRHJHSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@H+]1Cc1ccccc1 ZINC000513232176 1094014385 /nfs/dbraw/zinc/01/43/85/1094014385.db2.gz GLWJFMKKLCBWCB-DYESRHJHSA-N 2 1 365.496 4.492 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000513407689 1094105500 /nfs/dbraw/zinc/10/55/00/1094105500.db2.gz HFWFWQWIHNUXPR-GOEBONIOSA-N 2 1 351.332 4.192 20 0 FIADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3ccnc3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513488017 1094167004 /nfs/dbraw/zinc/16/70/04/1094167004.db2.gz NQCMKJQQMVBESW-NZQKXSOJSA-N 2 1 374.532 4.263 20 0 FIADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000513502966 1094175416 /nfs/dbraw/zinc/17/54/16/1094175416.db2.gz JLBKEXOLYOHCBE-UHFFFAOYSA-N 2 1 368.569 4.351 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]CC2=Cc3ccccc3OC2)C[N@H+]1Cc1ccccc1 ZINC000513513835 1094186443 /nfs/dbraw/zinc/18/64/43/1094186443.db2.gz UWKXZBBWDVQKNG-FPOVZHCZSA-N 2 1 362.517 4.353 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(C(C)(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000513544979 1094206157 /nfs/dbraw/zinc/20/61/57/1094206157.db2.gz NNUDMEJHNGOFQJ-UYAOXDASSA-N 2 1 354.542 4.028 20 0 FIADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000474596998 1094377043 /nfs/dbraw/zinc/37/70/43/1094377043.db2.gz IHBMSHGEOMAMJQ-XWTMOSNGSA-N 2 1 352.950 4.311 20 0 FIADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397398 1094481655 /nfs/dbraw/zinc/48/16/55/1094481655.db2.gz OUONXUJLUGOKOV-IEBWSBKVSA-N 2 1 361.574 4.401 20 0 FIADMP C[C@@H]1CC([NH2+]C2CCC(C[NH+](C)C)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168041568 1094591522 /nfs/dbraw/zinc/59/15/22/1094591522.db2.gz TVKJWCBONPEYNY-RVEPMOMFSA-N 2 1 357.586 4.138 20 0 FIADMP CC(C)c1nc(CC[N@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041600 1094600839 /nfs/dbraw/zinc/60/08/39/1094600839.db2.gz UBRYCECCPNBFOR-ROUUACIJSA-N 2 1 370.541 4.109 20 0 FIADMP CC(C)c1nc(CC[N@@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041600 1094600853 /nfs/dbraw/zinc/60/08/53/1094600853.db2.gz UBRYCECCPNBFOR-ROUUACIJSA-N 2 1 370.541 4.109 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474792645 1094627625 /nfs/dbraw/zinc/62/76/25/1094627625.db2.gz MIOHXDKXDPSGSJ-IRXDYDNUSA-N 2 1 352.950 4.311 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)c2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042290 1094677978 /nfs/dbraw/zinc/67/79/78/1094677978.db2.gz YTHYSJZWXICNQP-HATOLVCRSA-N 2 1 365.521 4.076 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)c2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042290 1094678007 /nfs/dbraw/zinc/67/80/07/1094678007.db2.gz YTHYSJZWXICNQP-HATOLVCRSA-N 2 1 365.521 4.076 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389222022 1094700104 /nfs/dbraw/zinc/70/01/04/1094700104.db2.gz WSEUTXIJKFPMOL-SESVDKBCSA-N 2 1 350.506 4.053 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446754 1094718195 /nfs/dbraw/zinc/71/81/95/1094718195.db2.gz UFMCUDFFOOCMDW-HHXXYDBFSA-N 2 1 372.475 4.491 20 0 FIADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000501446754 1094718208 /nfs/dbraw/zinc/71/82/08/1094718208.db2.gz UFMCUDFFOOCMDW-HHXXYDBFSA-N 2 1 372.475 4.491 20 0 FIADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000474876637 1094838768 /nfs/dbraw/zinc/83/87/68/1094838768.db2.gz DPIRSMLFCTXFEJ-QYZOEREBSA-N 2 1 362.558 4.153 20 0 FIADMP COc1ccc2c(c1)[C@@H]([N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1)CCO2 ZINC000420296733 1094856655 /nfs/dbraw/zinc/85/66/55/1094856655.db2.gz DRJNZFNXULHETF-AVRDEDQJSA-N 2 1 366.505 4.021 20 0 FIADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000420299104 1094867917 /nfs/dbraw/zinc/86/79/17/1094867917.db2.gz GHEIWIXHZRURSC-KRWDZBQOSA-N 2 1 374.550 4.157 20 0 FIADMP Cc1cc(C)c(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000420301265 1094870923 /nfs/dbraw/zinc/87/09/23/1094870923.db2.gz ALBGMUSEYRBTAN-IBGZPJMESA-N 2 1 355.551 4.213 20 0 FIADMP Cc1cc(C)c(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000420301265 1094870939 /nfs/dbraw/zinc/87/09/39/1094870939.db2.gz ALBGMUSEYRBTAN-IBGZPJMESA-N 2 1 355.551 4.213 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000420306025 1094871954 /nfs/dbraw/zinc/87/19/54/1094871954.db2.gz HFGNFGVTGCKNEY-DNVCBOLYSA-N 2 1 359.514 4.080 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000420306025 1094871973 /nfs/dbraw/zinc/87/19/73/1094871973.db2.gz HFGNFGVTGCKNEY-DNVCBOLYSA-N 2 1 359.514 4.080 20 0 FIADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccc(F)cc21 ZINC000420306016 1094873103 /nfs/dbraw/zinc/87/31/03/1094873103.db2.gz HFGNFGVTGCKNEY-BEFAXECRSA-N 2 1 359.514 4.080 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccc(F)cc21 ZINC000420306016 1094873128 /nfs/dbraw/zinc/87/31/28/1094873128.db2.gz HFGNFGVTGCKNEY-BEFAXECRSA-N 2 1 359.514 4.080 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000420378401 1094905951 /nfs/dbraw/zinc/90/59/51/1094905951.db2.gz UBROYVMCKLMZPK-SFHVURJKSA-N 2 1 366.427 4.192 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000420378401 1094905958 /nfs/dbraw/zinc/90/59/58/1094905958.db2.gz UBROYVMCKLMZPK-SFHVURJKSA-N 2 1 366.427 4.192 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420390976 1094909125 /nfs/dbraw/zinc/90/91/25/1094909125.db2.gz IEAXLRAAIHNERE-YLJYHZDGSA-N 2 1 370.928 4.069 20 0 FIADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)cc1 ZINC000501784400 1094923029 /nfs/dbraw/zinc/92/30/29/1094923029.db2.gz FSISPUIGZKTYSH-UHFFFAOYSA-N 2 1 370.541 4.414 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000501982843 1095035551 /nfs/dbraw/zinc/03/55/51/1095035551.db2.gz VYRUBZVJKBXKCM-SMIHKQSGSA-N 2 1 369.597 4.061 20 0 FIADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551456 1095133749 /nfs/dbraw/zinc/13/37/49/1095133749.db2.gz JBOGHZBVTSFAQJ-FPOVZHCZSA-N 2 1 351.538 4.003 20 0 FIADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000522566424 1095139798 /nfs/dbraw/zinc/13/97/98/1095139798.db2.gz HODVCLFCADUNLU-OAHLLOKOSA-N 2 1 360.299 4.062 20 0 FIADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420958759 1095200498 /nfs/dbraw/zinc/20/04/98/1095200498.db2.gz FFJQWSZGZDTYMM-QGZVFWFLSA-N 2 1 356.535 4.092 20 0 FIADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502324948 1095348915 /nfs/dbraw/zinc/34/89/15/1095348915.db2.gz GXJVJJJDMLUVAJ-AIADIJKESA-N 2 1 351.494 4.121 20 0 FIADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502324950 1095350332 /nfs/dbraw/zinc/35/03/32/1095350332.db2.gz GXJVJJJDMLUVAJ-MBNRZODZSA-N 2 1 351.494 4.121 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421337388 1095551905 /nfs/dbraw/zinc/55/19/05/1095551905.db2.gz YXKPZFBITNHAOG-RBBKRZOGSA-N 2 1 364.537 4.382 20 0 FIADMP c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000421337388 1095551919 /nfs/dbraw/zinc/55/19/19/1095551919.db2.gz YXKPZFBITNHAOG-RBBKRZOGSA-N 2 1 364.537 4.382 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443978480 1095569611 /nfs/dbraw/zinc/56/96/11/1095569611.db2.gz KRPSISYMLZRQTJ-UHFFFAOYSA-N 2 1 357.445 4.294 20 0 FIADMP FC(F)(F)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000443987261 1095585612 /nfs/dbraw/zinc/58/56/12/1095585612.db2.gz XDDURVJWLSIUDT-UHFFFAOYSA-N 2 1 355.429 4.048 20 0 FIADMP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281952744 1095776214 /nfs/dbraw/zinc/77/62/14/1095776214.db2.gz FRFGAJNLIKLSGC-CVEARBPZSA-N 2 1 356.514 4.446 20 0 FIADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502880587 1095917785 /nfs/dbraw/zinc/91/77/85/1095917785.db2.gz QGNXQXUKYHZHSL-VQIMIIECSA-N 2 1 350.934 4.087 20 0 FIADMP COc1ccc(Cl)cc1C[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502880587 1095917791 /nfs/dbraw/zinc/91/77/91/1095917791.db2.gz QGNXQXUKYHZHSL-VQIMIIECSA-N 2 1 350.934 4.087 20 0 FIADMP COc1ccc(Cl)cc1C[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000502880587 1095917793 /nfs/dbraw/zinc/91/77/93/1095917793.db2.gz QGNXQXUKYHZHSL-VQIMIIECSA-N 2 1 350.934 4.087 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000421827992 1095940090 /nfs/dbraw/zinc/94/00/90/1095940090.db2.gz ALUMRHGBFMCODA-FCEWJHQRSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000421827992 1095940094 /nfs/dbraw/zinc/94/00/94/1095940094.db2.gz ALUMRHGBFMCODA-FCEWJHQRSA-N 2 1 368.949 4.136 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000513762039 1096020526 /nfs/dbraw/zinc/02/05/26/1096020526.db2.gz PKHLWIHUUDUVMY-UHFFFAOYSA-N 2 1 374.532 4.421 20 0 FIADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000513762039 1096020536 /nfs/dbraw/zinc/02/05/36/1096020536.db2.gz PKHLWIHUUDUVMY-UHFFFAOYSA-N 2 1 374.532 4.421 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000513762039 1096020548 /nfs/dbraw/zinc/02/05/48/1096020548.db2.gz PKHLWIHUUDUVMY-UHFFFAOYSA-N 2 1 374.532 4.421 20 0 FIADMP Cc1csc(C2([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CCC2)n1 ZINC000271931489 1096141610 /nfs/dbraw/zinc/14/16/10/1096141610.db2.gz DPNMKYSOQOJBNF-MRXNPFEDSA-N 2 1 359.539 4.122 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000414654330 1096349852 /nfs/dbraw/zinc/34/98/52/1096349852.db2.gz BYKPKUFMXQAMSH-RBUKOAKNSA-N 2 1 360.505 4.017 20 0 FIADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)cc1 ZINC000422886277 1096513514 /nfs/dbraw/zinc/51/35/14/1096513514.db2.gz IRNMASFDOKZXPK-BHIFYINESA-N 2 1 369.484 4.413 20 0 FIADMP C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000414704263 1096526314 /nfs/dbraw/zinc/52/63/14/1096526314.db2.gz DGFJNNHFVNNSNW-FXAWDEMLSA-N 2 1 372.557 4.042 20 0 FIADMP C[C@@H]([NH2+]C[C@H](C)Sc1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422959549 1096540047 /nfs/dbraw/zinc/54/00/47/1096540047.db2.gz SRJLKQVJWXYYHG-NWDGAFQWSA-N 2 1 366.328 4.088 20 0 FIADMP COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422961320 1096540543 /nfs/dbraw/zinc/54/05/43/1096540543.db2.gz YWEUHIKAFFHVQZ-UZUQRXQVSA-N 2 1 361.489 4.298 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423039600 1096557786 /nfs/dbraw/zinc/55/77/86/1096557786.db2.gz FRGWNEQPOOKNAM-BFUOFWGJSA-N 2 1 364.411 4.001 20 0 FIADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423106709 1096583942 /nfs/dbraw/zinc/58/39/42/1096583942.db2.gz OUCBJASLRSCBPW-XZBHBCHMSA-N 3 1 363.977 4.361 20 0 FIADMP C[C@@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1Cl ZINC000423147126 1096587117 /nfs/dbraw/zinc/58/71/17/1096587117.db2.gz RBRMZYQUFKOYNV-ORPRQENYSA-N 2 1 360.860 4.386 20 0 FIADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000503950469 1096602183 /nfs/dbraw/zinc/60/21/83/1096602183.db2.gz UHFIVSARMDGUJI-CENDIDJXSA-N 2 1 364.480 4.037 20 0 FIADMP CC(C)c1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000414720836 1096605644 /nfs/dbraw/zinc/60/56/44/1096605644.db2.gz DKUFWCYZMORLJW-LJQANCHMSA-N 2 1 355.551 4.411 20 0 FIADMP CC(C)c1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000414720836 1096605649 /nfs/dbraw/zinc/60/56/49/1096605649.db2.gz DKUFWCYZMORLJW-LJQANCHMSA-N 2 1 355.551 4.411 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180989 1096606248 /nfs/dbraw/zinc/60/62/48/1096606248.db2.gz BRKDLALWTPEHOZ-KSSFIOAISA-N 2 1 374.326 4.162 20 0 FIADMP Cc1ncsc1C[N@@H+](C[C@H](C)CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000414722872 1096609840 /nfs/dbraw/zinc/60/98/40/1096609840.db2.gz GOEOUVSQBFTHFU-YLJYHZDGSA-N 2 1 357.567 4.132 20 0 FIADMP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414727761 1096629456 /nfs/dbraw/zinc/62/94/56/1096629456.db2.gz BOBFDISXDLHNGK-KGLIPLIRSA-N 2 1 372.340 4.032 20 0 FIADMP Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1cccc(Cl)c1 ZINC000423296084 1096644576 /nfs/dbraw/zinc/64/45/76/1096644576.db2.gz YIPGHFSCIHEOQV-KGLIPLIRSA-N 2 1 369.900 4.100 20 0 FIADMP CC1CC[NH+](CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)c2ccc(F)cc2)CC1 ZINC000423392994 1096665039 /nfs/dbraw/zinc/66/50/39/1096665039.db2.gz XZGCYOQZVXGOTK-NYVOZVTQSA-N 3 1 361.549 4.109 20 0 FIADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414739240 1096668533 /nfs/dbraw/zinc/66/85/33/1096668533.db2.gz PXUZRDQLVRJUMJ-ZIAGYGMSSA-N 2 1 372.340 4.032 20 0 FIADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cn1 ZINC000423482428 1096695929 /nfs/dbraw/zinc/69/59/29/1096695929.db2.gz XPIVKAHAKZHSQZ-SCWSEQNSSA-N 2 1 359.464 4.040 20 0 FIADMP Cc1c([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000423496478 1096707424 /nfs/dbraw/zinc/70/74/24/1096707424.db2.gz DZAKSCRMHTZYSN-DYESRHJHSA-N 2 1 363.509 4.015 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000423496481 1096707652 /nfs/dbraw/zinc/70/76/52/1096707652.db2.gz DZAKSCRMHTZYSN-UWJYYQICSA-N 2 1 363.509 4.015 20 0 FIADMP FC(F)Oc1ccc2ccccc2c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875319 1098568094 /nfs/dbraw/zinc/56/80/94/1098568094.db2.gz JGOXCYREPGPXCP-UHFFFAOYSA-N 2 1 371.431 4.106 20 0 FIADMP CCC[N@H+](Cc1cccc(F)c1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533058565 1098724834 /nfs/dbraw/zinc/72/48/34/1098724834.db2.gz MMHCYGUSRGFMDU-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@@H+](Cc1cccc(F)c1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533058565 1098724849 /nfs/dbraw/zinc/72/48/49/1098724849.db2.gz MMHCYGUSRGFMDU-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@H+](Cc1ccc(F)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533059737 1098727304 /nfs/dbraw/zinc/72/73/04/1098727304.db2.gz FIXVVGMIXODJIB-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP CCC[N@@H+](Cc1ccc(F)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533059737 1098727318 /nfs/dbraw/zinc/72/73/18/1098727318.db2.gz FIXVVGMIXODJIB-UHFFFAOYSA-N 2 1 374.479 4.253 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)CCC2 ZINC000533166937 1098838187 /nfs/dbraw/zinc/83/81/87/1098838187.db2.gz JOEUKIJTKBQGHJ-NTKDMRAZSA-N 2 1 364.533 4.383 20 0 FIADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)CCC2 ZINC000533166937 1098838192 /nfs/dbraw/zinc/83/81/92/1098838192.db2.gz JOEUKIJTKBQGHJ-NTKDMRAZSA-N 2 1 364.533 4.383 20 0 FIADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1F ZINC000436284861 1098889218 /nfs/dbraw/zinc/88/92/18/1098889218.db2.gz OGDWGYXFLMGNGQ-UHFFFAOYSA-N 2 1 367.453 4.061 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000436302385 1098915477 /nfs/dbraw/zinc/91/54/77/1098915477.db2.gz UEADMBQOXNCXAC-BVPXEZJJSA-N 2 1 364.961 4.313 20 0 FIADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000515900790 1099019821 /nfs/dbraw/zinc/01/98/21/1099019821.db2.gz YVBVXXIVKHIQHY-DHIUTWEWSA-N 2 1 368.496 4.023 20 0 FIADMP CCOc1ccc(-c2nc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)co2)cc1 ZINC000533469086 1099079241 /nfs/dbraw/zinc/07/92/41/1099079241.db2.gz AMJNGQIDUNMTRA-UHFFFAOYSA-N 2 1 371.525 4.293 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505925548 1099506080 /nfs/dbraw/zinc/50/60/80/1099506080.db2.gz USIZCAVTWHOTKN-SFTDATJTSA-N 2 1 365.606 4.002 20 0 FIADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000516620387 1099660968 /nfs/dbraw/zinc/66/09/68/1099660968.db2.gz KIKCWIASHAENLH-YXIAPDDASA-N 2 1 356.554 4.365 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1COc2ccccc21 ZINC000508695414 1099826658 /nfs/dbraw/zinc/82/66/58/1099826658.db2.gz FKIRDUFWWYDLQR-TWWGPRNNSA-N 2 1 350.506 4.051 20 0 FIADMP CC(C)c1nc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000508693240 1099827092 /nfs/dbraw/zinc/82/70/92/1099827092.db2.gz CPNJAKCBBLYOLJ-IEBWSBKVSA-N 2 1 357.567 4.309 20 0 FIADMP CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289523972 1099831125 /nfs/dbraw/zinc/83/11/25/1099831125.db2.gz VREFZORBOOZBHC-IBGZPJMESA-N 2 1 359.539 4.078 20 0 FIADMP CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289523972 1099831143 /nfs/dbraw/zinc/83/11/43/1099831143.db2.gz VREFZORBOOZBHC-IBGZPJMESA-N 2 1 359.539 4.078 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508697997 1099831567 /nfs/dbraw/zinc/83/15/67/1099831567.db2.gz KPYCSKMQAGRMIZ-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508697997 1099831576 /nfs/dbraw/zinc/83/15/76/1099831576.db2.gz KPYCSKMQAGRMIZ-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508697997 1099831587 /nfs/dbraw/zinc/83/15/87/1099831587.db2.gz KPYCSKMQAGRMIZ-GIWBLDEGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508697997 1099831599 /nfs/dbraw/zinc/83/15/99/1099831599.db2.gz KPYCSKMQAGRMIZ-GIWBLDEGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508697997 1099831611 /nfs/dbraw/zinc/83/16/11/1099831611.db2.gz KPYCSKMQAGRMIZ-GIWBLDEGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508702250 1099857293 /nfs/dbraw/zinc/85/72/93/1099857293.db2.gz VZBCVXKACOATEQ-KHUIQGCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702250 1099857296 /nfs/dbraw/zinc/85/72/96/1099857296.db2.gz VZBCVXKACOATEQ-KHUIQGCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702250 1099857304 /nfs/dbraw/zinc/85/73/04/1099857304.db2.gz VZBCVXKACOATEQ-KHUIQGCPSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702250 1099857311 /nfs/dbraw/zinc/85/73/11/1099857311.db2.gz VZBCVXKACOATEQ-KHUIQGCPSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702250 1099857316 /nfs/dbraw/zinc/85/73/16/1099857316.db2.gz VZBCVXKACOATEQ-KHUIQGCPSA-N 2 1 371.613 4.245 20 0 FIADMP CCOCCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000508703570 1099857352 /nfs/dbraw/zinc/85/73/52/1099857352.db2.gz YWTAGFDSYRTLEB-RBBKRZOGSA-N 2 1 358.570 4.474 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508702248 1099858477 /nfs/dbraw/zinc/85/84/77/1099858477.db2.gz VZBCVXKACOATEQ-HYVLGVRCSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508702248 1099858502 /nfs/dbraw/zinc/85/85/02/1099858502.db2.gz VZBCVXKACOATEQ-HYVLGVRCSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702248 1099858513 /nfs/dbraw/zinc/85/85/13/1099858513.db2.gz VZBCVXKACOATEQ-HYVLGVRCSA-N 3 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702248 1099858531 /nfs/dbraw/zinc/85/85/31/1099858531.db2.gz VZBCVXKACOATEQ-HYVLGVRCSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702248 1099858548 /nfs/dbraw/zinc/85/85/48/1099858548.db2.gz VZBCVXKACOATEQ-HYVLGVRCSA-N 2 1 371.613 4.245 20 0 FIADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000508714827 1099885224 /nfs/dbraw/zinc/88/52/24/1099885224.db2.gz CAAKPCUOZVVPQH-VJBMBRPKSA-N 2 1 351.538 4.321 20 0 FIADMP Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708805 1099888243 /nfs/dbraw/zinc/88/82/43/1099888243.db2.gz DVUPAKPBNYOWIJ-SIKLNZKXSA-N 2 1 351.538 4.379 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508722915 1099943210 /nfs/dbraw/zinc/94/32/10/1099943210.db2.gz YXOWVJJDWMAJFH-XUZZJYLKSA-N 3 1 371.613 4.245 20 0 FIADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000508722915 1099943214 /nfs/dbraw/zinc/94/32/14/1099943214.db2.gz YXOWVJJDWMAJFH-XUZZJYLKSA-N 2 1 371.613 4.245 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517187775 1100159435 /nfs/dbraw/zinc/15/94/35/1100159435.db2.gz YKJJSRKGZYWFHP-LQBOVUBWSA-N 2 1 350.506 4.270 20 0 FIADMP COc1cccc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000536703541 1100208345 /nfs/dbraw/zinc/20/83/45/1100208345.db2.gz ROBGJFMOZXXRDJ-GOSISDBHSA-N 2 1 353.510 4.390 20 0 FIADMP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1OC ZINC000379625507 1100223098 /nfs/dbraw/zinc/22/30/98/1100223098.db2.gz FTKGDRYMPCTUHC-MSOLQXFVSA-N 2 1 356.510 4.265 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641994 1100262743 /nfs/dbraw/zinc/26/27/43/1100262743.db2.gz DQRXOHMWIOJNEL-XTQVGHSUSA-N 2 1 350.506 4.325 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641994 1100262756 /nfs/dbraw/zinc/26/27/56/1100262756.db2.gz DQRXOHMWIOJNEL-XTQVGHSUSA-N 2 1 350.506 4.325 20 0 FIADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1O ZINC000459509925 1100263547 /nfs/dbraw/zinc/26/35/47/1100263547.db2.gz WKJVILMRYDCJLS-KRWDZBQOSA-N 2 1 374.912 4.056 20 0 FIADMP Brc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC2)s1 ZINC000459536117 1100267100 /nfs/dbraw/zinc/26/71/00/1100267100.db2.gz BCJRFKMIUHEILJ-UHFFFAOYSA-N 2 1 369.372 4.149 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000536824710 1100340942 /nfs/dbraw/zinc/34/09/42/1100340942.db2.gz DMHIWWIVNWJHHZ-STSPMOIFSA-N 2 1 362.583 4.118 20 0 FIADMP C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@H]4CC[N@@H+](C)[C@@H](C)C4)cc3)ccc2O1 ZINC000536842171 1100355428 /nfs/dbraw/zinc/35/54/28/1100355428.db2.gz WLQHAHIDKNDPLD-JKSBSHDWSA-N 2 1 350.506 4.249 20 0 FIADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1Br ZINC000536850729 1100364006 /nfs/dbraw/zinc/36/40/06/1100364006.db2.gz GKNFSRRBLZOVRZ-DYVFJYSZSA-N 2 1 350.304 4.331 20 0 FIADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536856344 1100371851 /nfs/dbraw/zinc/37/18/51/1100371851.db2.gz FBMUOYAUHUYHBN-ZACQAIPSSA-N 2 1 372.475 4.115 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000536854626 1100403113 /nfs/dbraw/zinc/40/31/13/1100403113.db2.gz YMWSCRUOBLCZNI-APPDUMDISA-N 2 1 366.278 4.006 20 0 FIADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414921716 1100413419 /nfs/dbraw/zinc/41/34/19/1100413419.db2.gz FSJXSVRUUDUTNE-KBPBESRZSA-N 2 1 355.429 4.188 20 0 FIADMP Cc1ccc2cc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)ccc2n1 ZINC000438110084 1100435503 /nfs/dbraw/zinc/43/55/03/1100435503.db2.gz NLTXICFRGHWFBD-JOCHJYFZSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1ccc2cc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438110084 1100435515 /nfs/dbraw/zinc/43/55/15/1100435515.db2.gz NLTXICFRGHWFBD-JOCHJYFZSA-N 2 1 359.517 4.497 20 0 FIADMP Cc1ccc2cc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438110084 1100435523 /nfs/dbraw/zinc/43/55/23/1100435523.db2.gz NLTXICFRGHWFBD-JOCHJYFZSA-N 2 1 359.517 4.497 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000438187913 1100502054 /nfs/dbraw/zinc/50/20/54/1100502054.db2.gz IBMCZEORVHIQFD-HOTGVXAUSA-N 2 1 362.480 4.121 20 0 FIADMP Brc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)s1 ZINC000439146573 1101200966 /nfs/dbraw/zinc/20/09/66/1101200966.db2.gz NCKPQBPJXULECY-WOSRLPQWSA-N 2 1 355.345 4.178 20 0 FIADMP COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963749 1101206210 /nfs/dbraw/zinc/20/62/10/1101206210.db2.gz CGVYFFWRYURRSX-LATSOQNDSA-N 2 1 367.537 4.118 20 0 FIADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963809 1101238499 /nfs/dbraw/zinc/23/84/99/1101238499.db2.gz FELCFSNZTGCPQX-SEJPIABJSA-N 2 1 370.537 4.137 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC(Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000671119265 1101325275 /nfs/dbraw/zinc/32/52/75/1101325275.db2.gz CUZOSNBCWAKFOQ-UHFFFAOYSA-N 2 1 361.493 4.122 20 0 FIADMP O[C@@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000537014268 1101395922 /nfs/dbraw/zinc/39/59/22/1101395922.db2.gz ILZOFEFYHORCQK-FGZHOGPDSA-N 2 1 370.924 4.018 20 0 FIADMP O[C@@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000537014268 1101395931 /nfs/dbraw/zinc/39/59/31/1101395931.db2.gz ILZOFEFYHORCQK-FGZHOGPDSA-N 2 1 370.924 4.018 20 0 FIADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)CC1CC[NH2+]CC1 ZINC000178955963 1101540385 /nfs/dbraw/zinc/54/03/85/1101540385.db2.gz HIJOSRFBMVBUCT-UHFFFAOYSA-N 2 1 366.534 4.032 20 0 FIADMP CCCc1csc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000426416852 1101548324 /nfs/dbraw/zinc/54/83/24/1101548324.db2.gz MMSZYNZRBHXTJV-UHFFFAOYSA-N 2 1 357.567 4.440 20 0 FIADMP CCCc1csc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000426416852 1101548331 /nfs/dbraw/zinc/54/83/31/1101548331.db2.gz MMSZYNZRBHXTJV-UHFFFAOYSA-N 2 1 357.567 4.440 20 0 FIADMP CN(c1ccccc1C[N@@H+](Cc1cccs1)C1CC1)C1CC[NH+](C)CC1 ZINC000506619640 1101584463 /nfs/dbraw/zinc/58/44/63/1101584463.db2.gz YAGQSLHDQLMOQS-UHFFFAOYSA-N 2 1 369.578 4.443 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000182097803 1101598214 /nfs/dbraw/zinc/59/82/14/1101598214.db2.gz KOWLWPCNCMFEAV-KLHJMIIUSA-N 2 1 371.550 4.440 20 0 FIADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000182097803 1101598227 /nfs/dbraw/zinc/59/82/27/1101598227.db2.gz KOWLWPCNCMFEAV-KLHJMIIUSA-N 2 1 371.550 4.440 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189809481 1101905537 /nfs/dbraw/zinc/90/55/37/1101905537.db2.gz RNSSFSFMWLWFFB-UHFFFAOYSA-N 2 1 352.482 4.301 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000398038991 1101962590 /nfs/dbraw/zinc/96/25/90/1101962590.db2.gz RAWNZRFTVGDECX-HYBUGGRVSA-N 2 1 363.549 4.156 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000398038991 1101962591 /nfs/dbraw/zinc/96/25/91/1101962591.db2.gz RAWNZRFTVGDECX-HYBUGGRVSA-N 2 1 363.549 4.156 20 0 FIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C)c1 ZINC000519168601 1101983286 /nfs/dbraw/zinc/98/32/86/1101983286.db2.gz KTKIIAJAILBIIQ-GOTSBHOMSA-N 2 1 352.522 4.193 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C)c1 ZINC000519168603 1101983913 /nfs/dbraw/zinc/98/39/13/1101983913.db2.gz KTKIIAJAILBIIQ-XZOQPEGZSA-N 2 1 352.522 4.193 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1)C(C)C ZINC000102731301 1101988369 /nfs/dbraw/zinc/98/83/69/1101988369.db2.gz MFAGUJMWFREOHJ-UHFFFAOYSA-N 2 1 367.537 4.273 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399553 1102169902 /nfs/dbraw/zinc/16/99/02/1102169902.db2.gz UAHHTPJNUBAYOQ-RXVVDRJESA-N 2 1 350.506 4.110 20 0 FIADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000519399553 1102169910 /nfs/dbraw/zinc/16/99/10/1102169910.db2.gz UAHHTPJNUBAYOQ-RXVVDRJESA-N 2 1 350.506 4.110 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnc(C)s3)CC2)cs1 ZINC000090409232 1102270706 /nfs/dbraw/zinc/27/07/06/1102270706.db2.gz IHUFVYDNCGNSIW-ZDUSSCGKSA-N 2 1 364.584 4.033 20 0 FIADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000532441913 1102329974 /nfs/dbraw/zinc/32/99/74/1102329974.db2.gz LFIMDDBNRNAHRN-CRAIPNDOSA-N 2 1 363.958 4.041 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000550822211 1102407433 /nfs/dbraw/zinc/40/74/33/1102407433.db2.gz HFYPKWKOOZGFOR-YYKUARIBSA-N 2 1 356.535 4.176 20 0 FIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000550822211 1102407438 /nfs/dbraw/zinc/40/74/38/1102407438.db2.gz HFYPKWKOOZGFOR-YYKUARIBSA-N 2 1 356.535 4.176 20 0 FIADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(OCC2CCC2)c1 ZINC001167970556 1102425084 /nfs/dbraw/zinc/42/50/84/1102425084.db2.gz MTNBHWFTADFLKM-FRIKZZABSA-N 2 1 354.538 4.361 20 0 FIADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121801376 1102473203 /nfs/dbraw/zinc/47/32/03/1102473203.db2.gz LNZBLBKLPOVFMF-UHFFFAOYSA-N 2 1 370.566 4.293 20 0 FIADMP COCCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000092766296 1102527716 /nfs/dbraw/zinc/52/77/16/1102527716.db2.gz LYTZCXMZYYHTBI-HNNXBMFYSA-N 2 1 365.587 4.088 20 0 FIADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000060366855 1102538802 /nfs/dbraw/zinc/53/88/02/1102538802.db2.gz WJUXIUPAOXTACM-CYBMUJFWSA-N 2 1 355.309 4.091 20 0 FIADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122387270 1102570432 /nfs/dbraw/zinc/57/04/32/1102570432.db2.gz NPDPITIEVDIICH-OAHLLOKOSA-N 2 1 362.901 4.140 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000060978699 1102612864 /nfs/dbraw/zinc/61/28/64/1102612864.db2.gz IBTMAXIQGJCJNU-BGYRXZFFSA-N 2 1 367.537 4.118 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000060978699 1102612868 /nfs/dbraw/zinc/61/28/68/1102612868.db2.gz IBTMAXIQGJCJNU-BGYRXZFFSA-N 2 1 367.537 4.118 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252156 1102651932 /nfs/dbraw/zinc/65/19/32/1102651932.db2.gz NIOYDKDECIFXHO-JTHBVZDNSA-N 2 1 364.533 4.053 20 0 FIADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC001168252156 1102651941 /nfs/dbraw/zinc/65/19/41/1102651941.db2.gz NIOYDKDECIFXHO-JTHBVZDNSA-N 2 1 364.533 4.053 20 0 FIADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550885788 1102657102 /nfs/dbraw/zinc/65/71/02/1102657102.db2.gz JIWFAVASLGRRDV-SKWRMQMOSA-N 2 1 370.581 4.330 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)ccn1 ZINC000550886010 1102658253 /nfs/dbraw/zinc/65/82/53/1102658253.db2.gz AWFJFXYFTZUTET-QZTJIDSGSA-N 2 1 353.510 4.315 20 0 FIADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cn2ccccc2n1 ZINC000550886246 1102658343 /nfs/dbraw/zinc/65/83/43/1102658343.db2.gz NOKFQIKJNQAKAT-RTBURBONSA-N 2 1 362.521 4.417 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000537648619 1102666685 /nfs/dbraw/zinc/66/66/85/1102666685.db2.gz QIZMVXOQDDYLKD-SFHVURJKSA-N 2 1 374.960 4.306 20 0 FIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000537648619 1102666697 /nfs/dbraw/zinc/66/66/97/1102666697.db2.gz QIZMVXOQDDYLKD-SFHVURJKSA-N 2 1 374.960 4.306 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000125510163 1102684080 /nfs/dbraw/zinc/68/40/80/1102684080.db2.gz LAJWYIGROWRVAA-HXUWFJFHSA-N 2 1 361.917 4.071 20 0 FIADMP Cc1noc([C@H](C)[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835916 1102689870 /nfs/dbraw/zinc/68/98/70/1102689870.db2.gz HSCPYPWLQFYUCG-OXJNMPFZSA-N 2 1 368.525 4.062 20 0 FIADMP Cc1noc([C@H](C)[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835916 1102689877 /nfs/dbraw/zinc/68/98/77/1102689877.db2.gz HSCPYPWLQFYUCG-OXJNMPFZSA-N 2 1 368.525 4.062 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000519565662 1102711359 /nfs/dbraw/zinc/71/13/59/1102711359.db2.gz GQXNQPBJTRBDSX-UHFFFAOYSA-N 2 1 371.916 4.401 20 0 FIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000519565662 1102711370 /nfs/dbraw/zinc/71/13/70/1102711370.db2.gz GQXNQPBJTRBDSX-UHFFFAOYSA-N 2 1 371.916 4.401 20 0 FIADMP [NH3+]CCc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2cc(Cl)ccc12 ZINC001167979119 1102737312 /nfs/dbraw/zinc/73/73/12/1102737312.db2.gz VRDVOPITVCSGHQ-DFNIBXOVSA-N 2 1 357.929 4.374 20 0 FIADMP COc1ccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167978248 1102741646 /nfs/dbraw/zinc/74/16/46/1102741646.db2.gz NDVGABZZKYFCDS-SEJPIABJSA-N 2 1 354.538 4.013 20 0 FIADMP FC(F)Oc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000188729359 1102762175 /nfs/dbraw/zinc/76/21/75/1102762175.db2.gz NYTRBKCVZSARSP-UHFFFAOYSA-N 2 1 374.475 4.127 20 0 FIADMP Cc1nocc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550217258 1102767395 /nfs/dbraw/zinc/76/73/95/1102767395.db2.gz RHWOVPNMWFLNBD-HAYQSNGGSA-N 2 1 359.901 4.340 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551004569 1102772981 /nfs/dbraw/zinc/77/29/81/1102772981.db2.gz BZGGFRQNIAGNPE-DNQXCXABSA-N 3 1 365.565 4.454 20 0 FIADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551004569 1102772992 /nfs/dbraw/zinc/77/29/92/1102772992.db2.gz BZGGFRQNIAGNPE-DNQXCXABSA-N 3 1 365.565 4.454 20 0 FIADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012508 1102781621 /nfs/dbraw/zinc/78/16/21/1102781621.db2.gz RLIXMRKNMIAUIN-RBUKOAKNSA-N 2 1 359.311 4.374 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012508 1102781630 /nfs/dbraw/zinc/78/16/30/1102781630.db2.gz RLIXMRKNMIAUIN-RBUKOAKNSA-N 2 1 359.311 4.374 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000551013468 1102789405 /nfs/dbraw/zinc/78/94/05/1102789405.db2.gz BYUFYGOVVRKVIV-BJKOFHAPSA-N 2 1 365.565 4.452 20 0 FIADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013468 1102789414 /nfs/dbraw/zinc/78/94/14/1102789414.db2.gz BYUFYGOVVRKVIV-BJKOFHAPSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013468 1102789423 /nfs/dbraw/zinc/78/94/23/1102789423.db2.gz BYUFYGOVVRKVIV-BJKOFHAPSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013468 1102789428 /nfs/dbraw/zinc/78/94/28/1102789428.db2.gz BYUFYGOVVRKVIV-BJKOFHAPSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551013468 1102789439 /nfs/dbraw/zinc/78/94/39/1102789439.db2.gz BYUFYGOVVRKVIV-BJKOFHAPSA-N 3 1 365.565 4.452 20 0 FIADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000551029909 1102805914 /nfs/dbraw/zinc/80/59/14/1102805914.db2.gz SQKFEXBDULLVKZ-JSGCOSHPSA-N 2 1 357.361 4.208 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000551029909 1102805928 /nfs/dbraw/zinc/80/59/28/1102805928.db2.gz SQKFEXBDULLVKZ-JSGCOSHPSA-N 2 1 357.361 4.208 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000551051622 1102864540 /nfs/dbraw/zinc/86/45/40/1102864540.db2.gz TWCMQKAGWNNRLS-ZDUSSCGKSA-N 2 1 354.317 4.073 20 0 FIADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000459358599 1102912460 /nfs/dbraw/zinc/91/24/60/1102912460.db2.gz BKTSKKLISONWFQ-ZMTJCJBESA-N 2 1 362.517 4.353 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000551197989 1102975687 /nfs/dbraw/zinc/97/56/87/1102975687.db2.gz KKPWYXRRCUFTOH-BXXSPATCSA-N 2 1 350.506 4.332 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H]1c1ccccc1 ZINC000551197989 1102975691 /nfs/dbraw/zinc/97/56/91/1102975691.db2.gz KKPWYXRRCUFTOH-BXXSPATCSA-N 2 1 350.506 4.332 20 0 FIADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476988418 1102993927 /nfs/dbraw/zinc/99/39/27/1102993927.db2.gz SDBADQRWVWXIPN-PMACEKPBSA-N 2 1 371.569 4.299 20 0 FIADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476988418 1102993934 /nfs/dbraw/zinc/99/39/34/1102993934.db2.gz SDBADQRWVWXIPN-PMACEKPBSA-N 2 1 371.569 4.299 20 0 FIADMP Clc1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995753 1103336543 /nfs/dbraw/zinc/33/65/43/1103336543.db2.gz ZEBPWBMXGNMQKP-LJQANCHMSA-N 2 1 371.912 4.078 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000551908462 1103776266 /nfs/dbraw/zinc/77/62/66/1103776266.db2.gz VXVZTXCZSZCDJT-UHFFFAOYSA-N 2 1 367.537 4.213 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440830520 1103977775 /nfs/dbraw/zinc/97/77/75/1103977775.db2.gz LEGVMFJPGJGACO-CQSZACIVSA-N 2 1 366.431 4.093 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440830520 1103977781 /nfs/dbraw/zinc/97/77/81/1103977781.db2.gz LEGVMFJPGJGACO-CQSZACIVSA-N 2 1 366.431 4.093 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000188115009 1103993088 /nfs/dbraw/zinc/99/30/88/1103993088.db2.gz XTQRITGCQBHJTA-JTHBVZDNSA-N 2 1 364.537 4.162 20 0 FIADMP CCOc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)c1OC ZINC000520205085 1104170483 /nfs/dbraw/zinc/17/04/83/1104170483.db2.gz SYLCACUSHHPGJD-MRXNPFEDSA-N 2 1 368.949 4.349 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000441315394 1104271768 /nfs/dbraw/zinc/27/17/68/1104271768.db2.gz AYROUIOVWFJIKJ-UHFFFAOYSA-N 2 1 362.315 4.008 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000441315394 1104271779 /nfs/dbraw/zinc/27/17/79/1104271779.db2.gz AYROUIOVWFJIKJ-UHFFFAOYSA-N 2 1 362.315 4.008 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419876 1104383382 /nfs/dbraw/zinc/38/33/82/1104383382.db2.gz YFDRUTRGUOWKNY-KXBFYZLASA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419876 1104383391 /nfs/dbraw/zinc/38/33/91/1104383391.db2.gz YFDRUTRGUOWKNY-KXBFYZLASA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419876 1104383400 /nfs/dbraw/zinc/38/34/00/1104383400.db2.gz YFDRUTRGUOWKNY-KXBFYZLASA-N 2 1 368.443 4.033 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2ccccc2s1 ZINC000188446040 1104469160 /nfs/dbraw/zinc/46/91/60/1104469160.db2.gz XUCAOQDJHDBBGP-UZLBHIALSA-N 2 1 366.530 4.319 20 0 FIADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CCC2)cc1 ZINC000427567448 1104605714 /nfs/dbraw/zinc/60/57/14/1104605714.db2.gz XKCUUVWWOVULAT-XMMPIXPASA-N 2 1 364.533 4.458 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000536303341 1104639072 /nfs/dbraw/zinc/63/90/72/1104639072.db2.gz YQRHZHKGJXJXBB-SUMWQHHRSA-N 2 1 369.322 4.286 20 0 FIADMP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000189189481 1104785067 /nfs/dbraw/zinc/78/50/67/1104785067.db2.gz XVZASZKVONEDOQ-FGZHOGPDSA-N 2 1 356.554 4.023 20 0 FIADMP Brc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582833 1104934167 /nfs/dbraw/zinc/93/41/67/1104934167.db2.gz XLJZIAMMGFUNAK-ZBEGNZNMSA-N 2 1 355.345 4.036 20 0 FIADMP CN(C1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001803 1104945639 /nfs/dbraw/zinc/94/56/39/1104945639.db2.gz HYKULEFZCFBINS-AIZNXBIQSA-N 2 1 359.602 4.121 20 0 FIADMP COc1cccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168002034 1104960491 /nfs/dbraw/zinc/96/04/91/1104960491.db2.gz CDEAJMHVFZEQHO-AIZNXBIQSA-N 2 1 368.565 4.355 20 0 FIADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c4ccccc34)C2)CC1 ZINC000520561120 1104997751 /nfs/dbraw/zinc/99/77/51/1104997751.db2.gz WYWGOTOZWMRXCG-IBGZPJMESA-N 2 1 371.956 4.094 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000520604398 1105036791 /nfs/dbraw/zinc/03/67/91/1105036791.db2.gz RIDNRMLYUZGZIB-UYAOXDASSA-N 2 1 360.505 4.159 20 0 FIADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000520604398 1105036793 /nfs/dbraw/zinc/03/67/93/1105036793.db2.gz RIDNRMLYUZGZIB-UYAOXDASSA-N 2 1 360.505 4.159 20 0 FIADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000427713940 1105255142 /nfs/dbraw/zinc/25/51/42/1105255142.db2.gz SEAAVSUVWWLAQJ-GOSISDBHSA-N 2 1 353.432 4.084 20 0 FIADMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2([NH3+])CCCC2)CCC3)cc1 ZINC000665248891 1105308662 /nfs/dbraw/zinc/30/86/62/1105308662.db2.gz FIBRAVFRSPJUCA-MRXNPFEDSA-N 2 1 357.523 4.057 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000390595058 1106738567 /nfs/dbraw/zinc/73/85/67/1106738567.db2.gz UZEYSXLLEBVRES-OFNKIYASSA-N 2 1 352.522 4.236 20 0 FIADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000390719030 1106752311 /nfs/dbraw/zinc/75/23/11/1106752311.db2.gz YVPPHYQGSVHOBB-GLHNNUHNSA-N 2 1 354.538 4.119 20 0 FIADMP C[C@H]1CC([N@@H+]2CCOC3(CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064739 1106872616 /nfs/dbraw/zinc/87/26/16/1106872616.db2.gz RSADRDAJTCUHFX-PMACEKPBSA-N 2 1 356.554 4.463 20 0 FIADMP C[C@H]1CC([N@H+]2CCOC3(CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064739 1106872634 /nfs/dbraw/zinc/87/26/34/1106872634.db2.gz RSADRDAJTCUHFX-PMACEKPBSA-N 2 1 356.554 4.463 20 0 FIADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301468920 1107040925 /nfs/dbraw/zinc/04/09/25/1107040925.db2.gz NPTWCYFFBFVFAH-AWEZNQCLSA-N 2 1 362.315 4.165 20 0 FIADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000301468920 1107040938 /nfs/dbraw/zinc/04/09/38/1107040938.db2.gz NPTWCYFFBFVFAH-AWEZNQCLSA-N 2 1 362.315 4.165 20 0 FIADMP Cc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301640093 1107096125 /nfs/dbraw/zinc/09/61/25/1107096125.db2.gz BAEPXCVJCPOFLQ-UHFFFAOYSA-N 2 1 365.456 4.170 20 0 FIADMP C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000530518784 1107098532 /nfs/dbraw/zinc/09/85/32/1107098532.db2.gz BCXMBHJFPVLDFU-UGSOOPFHSA-N 2 1 362.315 4.028 20 0 FIADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000301780583 1107147712 /nfs/dbraw/zinc/14/77/12/1107147712.db2.gz IQPVQJJJURUEDT-CQSZACIVSA-N 2 1 351.416 4.422 20 0 FIADMP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2ccccc2[nH+]1 ZINC000302880772 1107474227 /nfs/dbraw/zinc/47/42/27/1107474227.db2.gz INWHJLSIWAOJCW-HXUWFJFHSA-N 2 1 361.489 4.112 20 0 FIADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152441489 1107649119 /nfs/dbraw/zinc/64/91/19/1107649119.db2.gz VWIAIXUZTJBYFR-WBMJQRKESA-N 2 1 367.356 4.060 20 0 FIADMP c1csc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCCCC2)c1 ZINC000655727727 1107695384 /nfs/dbraw/zinc/69/53/84/1107695384.db2.gz URGBGEKYTPBOGX-LJQANCHMSA-N 2 1 362.583 4.183 20 0 FIADMP COc1cc2c(c(C[NH2+]Cc3cccc(C[N@@H+](C)C(C)C)c3)c1)O[C@@H](C)C2 ZINC000237477516 1107745697 /nfs/dbraw/zinc/74/56/97/1107745697.db2.gz YXGWSHJKVQTBID-KRWDZBQOSA-N 2 1 368.521 4.149 20 0 FIADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000531688941 1108056538 /nfs/dbraw/zinc/05/65/38/1108056538.db2.gz MOVFMOQHVCZWNU-HSALFYBXSA-N 2 1 352.522 4.455 20 0 FIADMP COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1 ZINC000531694206 1108097726 /nfs/dbraw/zinc/09/77/26/1108097726.db2.gz HWCLOHRXJHXWIU-MRXNPFEDSA-N 2 1 365.477 4.091 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](CC3CC3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000531722211 1108114517 /nfs/dbraw/zinc/11/45/17/1108114517.db2.gz ILQUMKKMCLJAMQ-OAQYLSRUSA-N 2 1 350.510 4.193 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000453085566 1108156895 /nfs/dbraw/zinc/15/68/95/1108156895.db2.gz OIOJNASASZDVEK-HXUWFJFHSA-N 2 1 351.538 4.090 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453120113 1108187189 /nfs/dbraw/zinc/18/71/89/1108187189.db2.gz BTUPIYWGNGUODV-ZRCGQRJVSA-N 2 1 351.538 4.436 20 0 FIADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453120113 1108187196 /nfs/dbraw/zinc/18/71/96/1108187196.db2.gz BTUPIYWGNGUODV-ZRCGQRJVSA-N 2 1 351.538 4.436 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453132798 1108210549 /nfs/dbraw/zinc/21/05/49/1108210549.db2.gz MNJWMDFAXHDLFS-QGZVFWFLSA-N 2 1 352.526 4.145 20 0 FIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453155335 1108224643 /nfs/dbraw/zinc/22/46/43/1108224643.db2.gz BASAEAOBKMMIDY-CLAROIROSA-N 2 1 354.538 4.121 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1nccs1 ZINC000453204121 1108275130 /nfs/dbraw/zinc/27/51/30/1108275130.db2.gz VTZSLLVIJNCCBA-MDNKFWRPSA-N 2 1 355.551 4.279 20 0 FIADMP Clc1ccccc1C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCO1 ZINC000453231452 1108304571 /nfs/dbraw/zinc/30/45/71/1108304571.db2.gz WFFODLUMDRCEGG-FMFRFZGHSA-N 2 1 362.945 4.037 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000453288066 1108365557 /nfs/dbraw/zinc/36/55/57/1108365557.db2.gz JPGKWRBIJIOIST-UHFFFAOYSA-N 2 1 351.538 4.392 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2ccsc2)N(C)C)cc1 ZINC000531945444 1108389865 /nfs/dbraw/zinc/38/98/65/1108389865.db2.gz YUXFNWBSNSCHCG-MGPUTAFESA-N 2 1 354.523 4.196 20 0 FIADMP FCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000453316455 1108405298 /nfs/dbraw/zinc/40/52/98/1108405298.db2.gz WVOFXCWRWJQXOW-BHDDXSALSA-N 2 1 374.544 4.033 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CSCCc4ccccc43)CC2)cc1 ZINC000531939549 1108416823 /nfs/dbraw/zinc/41/68/23/1108416823.db2.gz FBNKOUBRWCIPJG-QHCPKHFHSA-N 2 1 366.574 4.314 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941916 1108419665 /nfs/dbraw/zinc/41/96/65/1108419665.db2.gz UDABSPUSPICMEQ-AUSIDOKSSA-N 2 1 359.517 4.278 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000531941916 1108419670 /nfs/dbraw/zinc/41/96/70/1108419670.db2.gz UDABSPUSPICMEQ-AUSIDOKSSA-N 2 1 359.517 4.278 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21)C1CC1 ZINC000453386108 1108471231 /nfs/dbraw/zinc/47/12/31/1108471231.db2.gz AAASRRDEYDHDCO-KRWDZBQOSA-N 2 1 367.331 4.127 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cnn1-c1cccc(Cl)c1 ZINC000453399234 1108501795 /nfs/dbraw/zinc/50/17/95/1108501795.db2.gz LEJOORHYANPUBE-HNNXBMFYSA-N 2 1 360.933 4.359 20 0 FIADMP C[N@@H+](CCCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000453594985 1108630736 /nfs/dbraw/zinc/63/07/36/1108630736.db2.gz JFTGAQDAVHWFBC-UHFFFAOYSA-N 2 1 351.466 4.052 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000532193760 1108701982 /nfs/dbraw/zinc/70/19/82/1108701982.db2.gz ZNAYFBQWQDFPTE-AVRDEDQJSA-N 2 1 362.521 4.004 20 0 FIADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CCCCC2)cc1OC ZINC000532223334 1108722150 /nfs/dbraw/zinc/72/21/50/1108722150.db2.gz KCCIVBBCVYPITK-CMKODMSKSA-N 2 1 374.569 4.224 20 0 FIADMP Clc1cccc(Cl)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000524790349 1109153897 /nfs/dbraw/zinc/15/38/97/1109153897.db2.gz CEDZIZBKYZFRCR-UHFFFAOYSA-N 2 1 357.325 4.070 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000524876259 1109187958 /nfs/dbraw/zinc/18/79/58/1109187958.db2.gz QUDXRJRBHHAWQT-OAQYLSRUSA-N 2 1 373.585 4.012 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1cccc(F)c1 ZINC000446745656 1109327098 /nfs/dbraw/zinc/32/70/98/1109327098.db2.gz SPZGCEKOJFHUJH-QHCPKHFHSA-N 2 1 369.528 4.204 20 0 FIADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428463720 1109406793 /nfs/dbraw/zinc/40/67/93/1109406793.db2.gz PTQNLNLZXMGBPV-VXSCBNMQSA-N 2 1 358.570 4.064 20 0 FIADMP COCC[NH+]1CCC([NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000447071583 1109435099 /nfs/dbraw/zinc/43/50/99/1109435099.db2.gz ADVGYASTMXWXRE-UHFFFAOYSA-N 2 1 371.352 4.116 20 0 FIADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781949 1109516771 /nfs/dbraw/zinc/51/67/71/1109516771.db2.gz VAIXLTUIMXHVJE-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525781949 1109516772 /nfs/dbraw/zinc/51/67/72/1109516772.db2.gz VAIXLTUIMXHVJE-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525781949 1109516774 /nfs/dbraw/zinc/51/67/74/1109516774.db2.gz VAIXLTUIMXHVJE-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525781949 1109516777 /nfs/dbraw/zinc/51/67/77/1109516777.db2.gz VAIXLTUIMXHVJE-IBGZPJMESA-N 2 1 360.448 4.242 20 0 FIADMP CCC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccsc1 ZINC000525954839 1109562785 /nfs/dbraw/zinc/56/27/85/1109562785.db2.gz OTVVBNIRHCGQAR-QZTJIDSGSA-N 2 1 363.596 4.229 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)o1 ZINC000447543375 1109573877 /nfs/dbraw/zinc/57/38/77/1109573877.db2.gz RXSGRZYEZGNEMS-KSZLIROESA-N 2 1 356.510 4.356 20 0 FIADMP Fc1cccc(NCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000447601991 1109599122 /nfs/dbraw/zinc/59/91/22/1109599122.db2.gz RZJKEOXMVDOTMJ-WBDAEOGXSA-N 2 1 367.512 4.413 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000527100262 1109692368 /nfs/dbraw/zinc/69/23/68/1109692368.db2.gz NVEPWWMIGQOZEZ-JLTOFOAXSA-N 2 1 351.425 4.494 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)cc1)C(C)C ZINC000448430319 1109796517 /nfs/dbraw/zinc/79/65/17/1109796517.db2.gz MPWQRMQGKJBRMK-OAQYLSRUSA-N 2 1 373.585 4.015 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1)C(C)C ZINC000448430319 1109796521 /nfs/dbraw/zinc/79/65/21/1109796521.db2.gz MPWQRMQGKJBRMK-OAQYLSRUSA-N 2 1 373.585 4.015 20 0 FIADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1)C(C)C ZINC000448430319 1109796524 /nfs/dbraw/zinc/79/65/24/1109796524.db2.gz MPWQRMQGKJBRMK-OAQYLSRUSA-N 2 1 373.585 4.015 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cn1 ZINC000528044865 1109897645 /nfs/dbraw/zinc/89/76/45/1109897645.db2.gz VZSDJAAORDKGNB-JWNTYJGQSA-N 2 1 365.521 4.042 20 0 FIADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049878 1109968449 /nfs/dbraw/zinc/96/84/49/1109968449.db2.gz SNAGKKZNCHSUSC-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049878 1109968451 /nfs/dbraw/zinc/96/84/51/1109968451.db2.gz SNAGKKZNCHSUSC-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049878 1109968453 /nfs/dbraw/zinc/96/84/53/1109968453.db2.gz SNAGKKZNCHSUSC-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4c(F)cccc4F)s3)CC[C@H]21 ZINC000449049878 1109968454 /nfs/dbraw/zinc/96/84/54/1109968454.db2.gz SNAGKKZNCHSUSC-CXAGYDPISA-N 2 1 363.477 4.004 20 0 FIADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000449084108 1109970376 /nfs/dbraw/zinc/97/03/76/1109970376.db2.gz WOAVNHSDEOZESG-VXKWHMMOSA-N 3 1 371.613 4.184 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000449084108 1109970378 /nfs/dbraw/zinc/97/03/78/1109970378.db2.gz WOAVNHSDEOZESG-VXKWHMMOSA-N 2 1 371.613 4.184 20 0 FIADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000449084108 1109970379 /nfs/dbraw/zinc/97/03/79/1109970379.db2.gz WOAVNHSDEOZESG-VXKWHMMOSA-N 2 1 371.613 4.184 20 0 FIADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1F ZINC000449076191 1109973374 /nfs/dbraw/zinc/97/33/74/1109973374.db2.gz WQNPTUBGZMSIEZ-KRWDZBQOSA-N 2 1 356.485 4.020 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)c1 ZINC000449100220 1109975980 /nfs/dbraw/zinc/97/59/80/1109975980.db2.gz QBIJWSMFHJBGQB-UHFFFAOYSA-N 2 1 368.521 4.368 20 0 FIADMP Fc1cccc(F)c1-c1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000449089144 1109977798 /nfs/dbraw/zinc/97/77/98/1109977798.db2.gz JHXWIAFLJSJLLG-UHFFFAOYSA-N 2 1 363.477 4.052 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c(OC)cccc23)[C@H](C)C1 ZINC000449137082 1109983740 /nfs/dbraw/zinc/98/37/40/1109983740.db2.gz DJJXNOLKXCRUQB-GCJKJVERSA-N 2 1 370.537 4.075 20 0 FIADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449169375 1109987631 /nfs/dbraw/zinc/98/76/31/1109987631.db2.gz GRWLWIIIAJYELL-STQMWFEESA-N 2 1 351.466 4.051 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449164105 1109990394 /nfs/dbraw/zinc/99/03/94/1109990394.db2.gz OSUOSNKWQZCTCM-UHFFFAOYSA-N 2 1 362.449 4.163 20 0 FIADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449229839 1110003342 /nfs/dbraw/zinc/00/33/42/1110003342.db2.gz FLEAZMJBSLHQBT-HNNXBMFYSA-N 2 1 370.497 4.137 20 0 FIADMP C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449440409 1110079618 /nfs/dbraw/zinc/07/96/18/1110079618.db2.gz ZHJBMHVCMPIKGA-MAUKXSAKSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(C(F)(F)F)c3)CC2)C1 ZINC000449438103 1110079787 /nfs/dbraw/zinc/07/97/87/1110079787.db2.gz OTENBFCVQUJLRL-PBHICJAKSA-N 2 1 355.448 4.233 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@H](CCOC)c2cccc(C(F)(F)F)c2)CC1 ZINC000449552315 1110108073 /nfs/dbraw/zinc/10/80/73/1110108073.db2.gz IOHUCQFBFMQNKY-GOSISDBHSA-N 2 1 358.448 4.247 20 0 FIADMP c1csc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCO2)c1 ZINC000449629666 1110131218 /nfs/dbraw/zinc/13/12/18/1110131218.db2.gz UHYCIJDGASRISV-WOJBJXKFSA-N 2 1 356.535 4.222 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)COCc1ccccc1 ZINC000389900029 1110284751 /nfs/dbraw/zinc/28/47/51/1110284751.db2.gz BDMRKQFXIAMLFV-OAQYLSRUSA-N 2 1 366.549 4.136 20 0 FIADMP Cc1cccc2ncc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n21 ZINC000538724278 1111263625 /nfs/dbraw/zinc/26/36/25/1111263625.db2.gz AWWDYJNQBPXPOE-GOSISDBHSA-N 2 1 354.542 4.119 20 0 FIADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797723 1111294199 /nfs/dbraw/zinc/29/41/99/1111294199.db2.gz VHVYQNDFWIECIP-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797723 1111294200 /nfs/dbraw/zinc/29/42/00/1111294200.db2.gz VHVYQNDFWIECIP-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797723 1111294201 /nfs/dbraw/zinc/29/42/01/1111294201.db2.gz VHVYQNDFWIECIP-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)CC[C@@H]21 ZINC000538797723 1111294202 /nfs/dbraw/zinc/29/42/02/1111294202.db2.gz VHVYQNDFWIECIP-YJBOKZPZSA-N 2 1 367.518 4.472 20 0 FIADMP c1[nH]nc2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798626 1111294911 /nfs/dbraw/zinc/29/49/11/1111294911.db2.gz PTPUWHFPLYNRIS-JTHBVZDNSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798626 1111294915 /nfs/dbraw/zinc/29/49/15/1111294915.db2.gz PTPUWHFPLYNRIS-JTHBVZDNSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)ccc12 ZINC000538798626 1111294919 /nfs/dbraw/zinc/29/49/19/1111294919.db2.gz PTPUWHFPLYNRIS-JTHBVZDNSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798626 1111294925 /nfs/dbraw/zinc/29/49/25/1111294925.db2.gz PTPUWHFPLYNRIS-JTHBVZDNSA-N 2 1 360.505 4.049 20 0 FIADMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc12 ZINC000538798626 1111294928 /nfs/dbraw/zinc/29/49/28/1111294928.db2.gz PTPUWHFPLYNRIS-JTHBVZDNSA-N 2 1 360.505 4.049 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2Br)[C@H](C)C1 ZINC000539053396 1111401631 /nfs/dbraw/zinc/40/16/31/1111401631.db2.gz FYAWWTPEQSRAGQ-RHSMWYFYSA-N 2 1 353.348 4.047 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000539045028 1111410231 /nfs/dbraw/zinc/41/02/31/1111410231.db2.gz ZAVNLMPCWNDJNH-PXNSSMCTSA-N 2 1 371.594 4.483 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000539065356 1111416163 /nfs/dbraw/zinc/41/61/63/1111416163.db2.gz GWZGSLDUKCPZRH-RYUDHWBXSA-N 2 1 354.267 4.080 20 0 FIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)c1 ZINC000539071353 1111418782 /nfs/dbraw/zinc/41/87/82/1111418782.db2.gz JJUGFANQRVKMOZ-QGZVFWFLSA-N 2 1 371.500 4.173 20 0 FIADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000539260745 1111498075 /nfs/dbraw/zinc/49/80/75/1111498075.db2.gz HGIFUDCIVZITRY-FCEWJHQRSA-N 2 1 366.933 4.033 20 0 FIADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000462123520 1111505807 /nfs/dbraw/zinc/50/58/07/1111505807.db2.gz QQRQISMXXLZUNL-VQTJNVASSA-N 2 1 366.549 4.484 20 0 FIADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000552099307 1111585459 /nfs/dbraw/zinc/58/54/59/1111585459.db2.gz DSOQLZXNMQBHDG-IRNNPGBSSA-N 2 1 360.505 4.409 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000478051470 1111666063 /nfs/dbraw/zinc/66/60/63/1111666063.db2.gz CAHNXSJNXDOBBM-LJQANCHMSA-N 2 1 368.569 4.092 20 0 FIADMP CCOc1cc2[nH+]ccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1OCC ZINC000553295037 1111942603 /nfs/dbraw/zinc/94/26/03/1111942603.db2.gz CNOWWOIISYFIRR-SJPCQFCGSA-N 2 1 369.509 4.094 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290018 1111986393 /nfs/dbraw/zinc/98/63/93/1111986393.db2.gz XFGXJRFNDLCHCK-WBVHZDCISA-N 2 1 353.348 4.090 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479331906 1111994416 /nfs/dbraw/zinc/99/44/16/1111994416.db2.gz SFMRNBJMCPLHRW-DENIHFKCSA-N 2 1 366.553 4.494 20 0 FIADMP CCC[N@H+]1CC[C@@H](CN[C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353908 1111996991 /nfs/dbraw/zinc/99/69/91/1111996991.db2.gz ZEKCJTUJKLAUOR-UGSOOPFHSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353908 1111996992 /nfs/dbraw/zinc/99/69/92/1111996992.db2.gz ZEKCJTUJKLAUOR-UGSOOPFHSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353908 1111996993 /nfs/dbraw/zinc/99/69/93/1111996993.db2.gz ZEKCJTUJKLAUOR-UGSOOPFHSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@H+]1CC[C@H](CN[C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353904 1111997118 /nfs/dbraw/zinc/99/71/18/1111997118.db2.gz ZEKCJTUJKLAUOR-FZKQIMNGSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353904 1111997120 /nfs/dbraw/zinc/99/71/20/1111997120.db2.gz ZEKCJTUJKLAUOR-FZKQIMNGSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353904 1111997122 /nfs/dbraw/zinc/99/71/22/1111997122.db2.gz ZEKCJTUJKLAUOR-FZKQIMNGSA-N 2 1 369.322 4.361 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000479535720 1112059998 /nfs/dbraw/zinc/05/99/98/1112059998.db2.gz IUBNQSUBOMGGHZ-BVPXEZJJSA-N 2 1 364.961 4.313 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000479537323 1112061734 /nfs/dbraw/zinc/06/17/34/1112061734.db2.gz BNZPRJNBYHRPII-SFHVURJKSA-N 2 1 353.510 4.111 20 0 FIADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000479537323 1112061738 /nfs/dbraw/zinc/06/17/38/1112061738.db2.gz BNZPRJNBYHRPII-SFHVURJKSA-N 2 1 353.510 4.111 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000479765605 1112135298 /nfs/dbraw/zinc/13/52/98/1112135298.db2.gz DIDHZRUVWPDPEY-HNAYVOBHSA-N 2 1 373.368 4.263 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(F)cn1 ZINC000554070922 1112182070 /nfs/dbraw/zinc/18/20/70/1112182070.db2.gz BJUXZLYSBAMPNF-DLBZAZTESA-N 2 1 371.500 4.455 20 0 FIADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(F)cn1 ZINC000554070922 1112182073 /nfs/dbraw/zinc/18/20/73/1112182073.db2.gz BJUXZLYSBAMPNF-DLBZAZTESA-N 2 1 371.500 4.455 20 0 FIADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000480241362 1112345967 /nfs/dbraw/zinc/34/59/67/1112345967.db2.gz MVPITPLIZVICAJ-HSALFYBXSA-N 2 1 352.522 4.455 20 0 FIADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000480369855 1112407877 /nfs/dbraw/zinc/40/78/77/1112407877.db2.gz JJGZCEGZMWIBRO-QHCPKHFHSA-N 2 1 364.533 4.130 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841004 1112517901 /nfs/dbraw/zinc/51/79/01/1112517901.db2.gz LYNZQVRKADDURQ-JOCHJYFZSA-N 2 1 365.521 4.035 20 0 FIADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841004 1112517905 /nfs/dbraw/zinc/51/79/05/1112517905.db2.gz LYNZQVRKADDURQ-JOCHJYFZSA-N 2 1 365.521 4.035 20 0 FIADMP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000480657193 1112533332 /nfs/dbraw/zinc/53/33/32/1112533332.db2.gz DNXPZIPSHIGRGC-IBGZPJMESA-N 2 1 366.553 4.202 20 0 FIADMP C[C@H]([NH2+]CCCNc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480690154 1112547241 /nfs/dbraw/zinc/54/72/41/1112547241.db2.gz ACEXOFQEMKBSFW-AZUAARDMSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@@H]([NH2+]CCCNc1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480690157 1112547472 /nfs/dbraw/zinc/54/74/72/1112547472.db2.gz ACEXOFQEMKBSFW-UYAOXDASSA-N 2 1 355.501 4.128 20 0 FIADMP C[C@@H]([NH2+]CCCNc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480690156 1112547709 /nfs/dbraw/zinc/54/77/09/1112547709.db2.gz ACEXOFQEMKBSFW-QUCCMNQESA-N 2 1 355.501 4.128 20 0 FIADMP C[C@@H](C[NH+]1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000480701932 1112561957 /nfs/dbraw/zinc/56/19/57/1112561957.db2.gz VCHTZRKNOSJPNO-ZSJMHYJMSA-N 2 1 355.570 4.036 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc(F)cc1 ZINC000480733669 1112569331 /nfs/dbraw/zinc/56/93/31/1112569331.db2.gz USLFSESKXIZJJY-QHCPKHFHSA-N 2 1 369.528 4.204 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480741848 1112581176 /nfs/dbraw/zinc/58/11/76/1112581176.db2.gz BKRLXMMDDDZMCK-QGTPRVQTSA-N 2 1 358.917 4.112 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480741848 1112581181 /nfs/dbraw/zinc/58/11/81/1112581181.db2.gz BKRLXMMDDDZMCK-QGTPRVQTSA-N 2 1 358.917 4.112 20 0 FIADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000480757680 1112589643 /nfs/dbraw/zinc/58/96/43/1112589643.db2.gz LTMRCFMMPGWCGT-IRLDBZIGSA-N 2 1 358.570 4.474 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554993509 1112604675 /nfs/dbraw/zinc/60/46/75/1112604675.db2.gz BZVQMSKNBJWLDF-FPOVZHCZSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554993509 1112604676 /nfs/dbraw/zinc/60/46/76/1112604676.db2.gz BZVQMSKNBJWLDF-FPOVZHCZSA-N 2 1 351.538 4.310 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994468 1112605753 /nfs/dbraw/zinc/60/57/53/1112605753.db2.gz QAOJRMNJWQZHRA-LAUBAEHRSA-N 2 1 352.526 4.046 20 0 FIADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994468 1112605758 /nfs/dbraw/zinc/60/57/58/1112605758.db2.gz QAOJRMNJWQZHRA-LAUBAEHRSA-N 2 1 352.526 4.046 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994470 1112605954 /nfs/dbraw/zinc/60/59/54/1112605954.db2.gz QAOJRMNJWQZHRA-UTKZUKDTSA-N 2 1 352.526 4.046 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000554994470 1112605957 /nfs/dbraw/zinc/60/59/57/1112605957.db2.gz QAOJRMNJWQZHRA-UTKZUKDTSA-N 2 1 352.526 4.046 20 0 FIADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2ccccc2c1 ZINC000480888680 1112648772 /nfs/dbraw/zinc/64/87/72/1112648772.db2.gz IRRUSFDGIUBZMR-FQEVSTJZSA-N 2 1 373.544 4.438 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897113 1112660884 /nfs/dbraw/zinc/66/08/84/1112660884.db2.gz FGXUHJLHGPNXPS-ZJSXRUAMSA-N 2 1 366.549 4.136 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000480897113 1112660890 /nfs/dbraw/zinc/66/08/90/1112660890.db2.gz FGXUHJLHGPNXPS-ZJSXRUAMSA-N 2 1 366.549 4.136 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000481304498 1112877700 /nfs/dbraw/zinc/87/77/00/1112877700.db2.gz HRCVNHQQYIHBDA-GOSISDBHSA-N 2 1 350.506 4.340 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000481303903 1112879000 /nfs/dbraw/zinc/87/90/00/1112879000.db2.gz GJVFTENPXMEZBV-JOCHJYFZSA-N 2 1 350.506 4.463 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539032 1112972476 /nfs/dbraw/zinc/97/24/76/1112972476.db2.gz XNWRJBNFBOZRSC-LAUBAEHRSA-N 2 1 368.521 4.304 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)c2)CCO1 ZINC000481539032 1112972477 /nfs/dbraw/zinc/97/24/77/1112972477.db2.gz XNWRJBNFBOZRSC-LAUBAEHRSA-N 2 1 368.521 4.304 20 0 FIADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1C ZINC000481582958 1112989405 /nfs/dbraw/zinc/98/94/05/1112989405.db2.gz PKVJWPKEJIYUFQ-UYAOXDASSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1C ZINC000481582958 1112989406 /nfs/dbraw/zinc/98/94/06/1112989406.db2.gz PKVJWPKEJIYUFQ-UYAOXDASSA-N 2 1 352.522 4.375 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000162883861 1113028853 /nfs/dbraw/zinc/02/88/53/1113028853.db2.gz SYZWGKVDOJDFEG-UHFFFAOYSA-N 2 1 356.416 4.480 20 0 FIADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4cc(OC(F)(F)F)ccc43)CC[C@H]21 ZINC000899878675 1113041910 /nfs/dbraw/zinc/04/19/10/1113041910.db2.gz VULSJPLFMPSWHW-CXAGYDPISA-N 2 1 365.399 4.054 20 0 FIADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732138 1113059324 /nfs/dbraw/zinc/05/93/24/1113059324.db2.gz DWZRYNCQVUZFRU-IRXDYDNUSA-N 2 1 355.295 4.113 20 0 FIADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000482076175 1113172115 /nfs/dbraw/zinc/17/21/15/1113172115.db2.gz CTWAVPBLZWTTGH-UZLBHIALSA-N 2 1 357.567 4.057 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000482115474 1113173326 /nfs/dbraw/zinc/17/33/26/1113173326.db2.gz RMUGFERKXYUJDS-QGZVFWFLSA-N 2 1 352.507 4.291 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114834 1113178059 /nfs/dbraw/zinc/17/80/59/1113178059.db2.gz OSFJOUZEOJQTKB-HTAPYJJXSA-N 2 1 365.496 4.350 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000482114834 1113178062 /nfs/dbraw/zinc/17/80/62/1113178062.db2.gz OSFJOUZEOJQTKB-HTAPYJJXSA-N 2 1 365.496 4.350 20 0 FIADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000482132204 1113178505 /nfs/dbraw/zinc/17/85/05/1113178505.db2.gz HMZAAXOADXVOQN-WOJBJXKFSA-N 2 1 359.558 4.041 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC[N@H+]1C ZINC000482121604 1113181544 /nfs/dbraw/zinc/18/15/44/1113181544.db2.gz DCSBZUIGEAFHPB-VGOFRKELSA-N 2 1 350.506 4.251 20 0 FIADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127661 1113183916 /nfs/dbraw/zinc/18/39/16/1113183916.db2.gz ORJIPHNLNIBYTG-HTAPYJJXSA-N 2 1 350.506 4.108 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000482257992 1113208883 /nfs/dbraw/zinc/20/88/83/1113208883.db2.gz KMAWIKOVIQAVKY-PXNSSMCTSA-N 2 1 357.567 4.274 20 0 FIADMP Cc1csc(CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000482257992 1113208884 /nfs/dbraw/zinc/20/88/84/1113208884.db2.gz KMAWIKOVIQAVKY-PXNSSMCTSA-N 2 1 357.567 4.274 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333083 1113228140 /nfs/dbraw/zinc/22/81/40/1113228140.db2.gz ZCYABYSJPOXUOV-HZPDHXFCSA-N 2 1 358.448 4.399 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000482358593 1113232067 /nfs/dbraw/zinc/23/20/67/1113232067.db2.gz MYRHMZJWNRHVBO-CRAIPNDOSA-N 2 1 358.448 4.103 20 0 FIADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000482358593 1113232071 /nfs/dbraw/zinc/23/20/71/1113232071.db2.gz MYRHMZJWNRHVBO-CRAIPNDOSA-N 2 1 358.448 4.103 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000482438624 1113255379 /nfs/dbraw/zinc/25/53/79/1113255379.db2.gz MTPPNJBBWAZZIL-AZUAARDMSA-N 2 1 369.528 4.107 20 0 FIADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482448440 1113262495 /nfs/dbraw/zinc/26/24/95/1113262495.db2.gz NWMQQTFPPXUWCS-PZJWPPBQSA-N 2 1 352.522 4.219 20 0 FIADMP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482448440 1113262501 /nfs/dbraw/zinc/26/25/01/1113262501.db2.gz NWMQQTFPPXUWCS-PZJWPPBQSA-N 2 1 352.522 4.219 20 0 FIADMP COCc1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000668189923 1113419216 /nfs/dbraw/zinc/41/92/16/1113419216.db2.gz UCYFPKROXPHNNK-UHFFFAOYSA-N 2 1 370.562 4.383 20 0 FIADMP CC[N@H+](CCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1)CC1CC1 ZINC000483252987 1113473983 /nfs/dbraw/zinc/47/39/83/1113473983.db2.gz JNNWKRMLSAOTJA-UHFFFAOYSA-N 2 1 366.553 4.206 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1)CC1CC1 ZINC000483252987 1113473984 /nfs/dbraw/zinc/47/39/84/1113473984.db2.gz JNNWKRMLSAOTJA-UHFFFAOYSA-N 2 1 366.553 4.206 20 0 FIADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486376491 1113556528 /nfs/dbraw/zinc/55/65/28/1113556528.db2.gz OYSGEFHMBCYIHN-SIKLNZKXSA-N 2 1 374.532 4.181 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486487857 1113579731 /nfs/dbraw/zinc/57/97/31/1113579731.db2.gz KNNYKMKWXKOREK-LPHOPBHVSA-N 2 1 360.448 4.288 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000486532975 1113589737 /nfs/dbraw/zinc/58/97/37/1113589737.db2.gz GZAUMMNTMSSFNW-HKUYNNGSSA-N 2 1 357.567 4.342 20 0 FIADMP CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000486532975 1113589739 /nfs/dbraw/zinc/58/97/39/1113589739.db2.gz GZAUMMNTMSSFNW-HKUYNNGSSA-N 2 1 357.567 4.342 20 0 FIADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000489652646 1114145657 /nfs/dbraw/zinc/14/56/57/1114145657.db2.gz XMSJEBBOBMARDL-UHFFFAOYSA-N 2 1 374.532 4.216 20 0 FIADMP COc1ccc(OC)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489650215 1114150245 /nfs/dbraw/zinc/15/02/45/1114150245.db2.gz QJMSZONFEOGQJF-UHFFFAOYSA-N 2 1 368.521 4.048 20 0 FIADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988136 1114359506 /nfs/dbraw/zinc/35/95/06/1114359506.db2.gz OOAFNTGYNCUZIE-DXIQSLLYSA-N 2 1 357.586 4.003 20 0 FIADMP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058350 1114368062 /nfs/dbraw/zinc/36/80/62/1114368062.db2.gz GNNHYZKGYBQOQN-SFHVURJKSA-N 2 1 355.501 4.462 20 0 FIADMP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058350 1114368066 /nfs/dbraw/zinc/36/80/66/1114368066.db2.gz GNNHYZKGYBQOQN-SFHVURJKSA-N 2 1 355.501 4.462 20 0 FIADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c2ccccc12 ZINC001212145011 1114417074 /nfs/dbraw/zinc/41/70/74/1114417074.db2.gz JDBUGPSOAJUIAU-IBGZPJMESA-N 2 1 352.482 4.366 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571165907 1114441642 /nfs/dbraw/zinc/44/16/42/1114441642.db2.gz UUNMYSHHMZFOCF-MOPGFXCFSA-N 2 1 371.569 4.193 20 0 FIADMP c1oc(-c2ccccc2)nc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571211357 1114452958 /nfs/dbraw/zinc/45/29/58/1114452958.db2.gz GGQWAKDEWVJBBD-VXKWHMMOSA-N 2 1 373.500 4.296 20 0 FIADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571781266 1114537486 /nfs/dbraw/zinc/53/74/86/1114537486.db2.gz RIPCKNWKOGBYRM-BAGYTPMASA-N 2 1 370.581 4.330 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000572053373 1114596088 /nfs/dbraw/zinc/59/60/88/1114596088.db2.gz PGQVNHOUHZNDTF-DENIHFKCSA-N 2 1 364.533 4.370 20 0 FIADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC000572053373 1114596092 /nfs/dbraw/zinc/59/60/92/1114596092.db2.gz PGQVNHOUHZNDTF-DENIHFKCSA-N 2 1 364.533 4.370 20 0 FIADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709504 1114601774 /nfs/dbraw/zinc/60/17/74/1114601774.db2.gz BZTILJMRGZXTHX-XHSDSOJGSA-N 2 1 368.924 4.361 20 0 FIADMP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709504 1114601776 /nfs/dbraw/zinc/60/17/76/1114601776.db2.gz BZTILJMRGZXTHX-XHSDSOJGSA-N 2 1 368.924 4.361 20 0 FIADMP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572999974 1114999130 /nfs/dbraw/zinc/99/91/30/1114999130.db2.gz FYACATDYXFRFBW-NRFANRHFSA-N 2 1 356.554 4.370 20 0 FIADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000572999974 1114999133 /nfs/dbraw/zinc/99/91/33/1114999133.db2.gz FYACATDYXFRFBW-NRFANRHFSA-N 2 1 356.554 4.370 20 0 FIADMP Fc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000573721805 1115177484 /nfs/dbraw/zinc/17/74/84/1115177484.db2.gz DVDRLHFFWOVCPU-IBGZPJMESA-N 2 1 356.460 4.294 20 0 FIADMP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000573721805 1115177486 /nfs/dbraw/zinc/17/74/86/1115177486.db2.gz DVDRLHFFWOVCPU-IBGZPJMESA-N 2 1 356.460 4.294 20 0 FIADMP C[C@H](c1nc2ccccc2o1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000574996874 1115528504 /nfs/dbraw/zinc/52/85/04/1115528504.db2.gz SVNBSMPZBBLPPH-MISYRCLQSA-N 2 1 361.489 4.343 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)cc1 ZINC000575045173 1115531225 /nfs/dbraw/zinc/53/12/25/1115531225.db2.gz SZWKAZMVJQMTKD-OAQYLSRUSA-N 2 1 362.517 4.471 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)cc1 ZINC000575045173 1115531226 /nfs/dbraw/zinc/53/12/26/1115531226.db2.gz SZWKAZMVJQMTKD-OAQYLSRUSA-N 2 1 362.517 4.471 20 0 FIADMP COc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1F ZINC000669679703 1115773839 /nfs/dbraw/zinc/77/38/39/1115773839.db2.gz DGHVSJHRLXQPTK-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1F ZINC000669679703 1115773844 /nfs/dbraw/zinc/77/38/44/1115773844.db2.gz DGHVSJHRLXQPTK-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1F ZINC000669679703 1115773847 /nfs/dbraw/zinc/77/38/47/1115773847.db2.gz DGHVSJHRLXQPTK-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP CCC[N@H+](CCc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000605574537 1115908314 /nfs/dbraw/zinc/90/83/14/1115908314.db2.gz GAWZNHRECFQHSQ-UHFFFAOYSA-N 2 1 366.553 4.325 20 0 FIADMP CCC[N@@H+](CCc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000605574537 1115908315 /nfs/dbraw/zinc/90/83/15/1115908315.db2.gz GAWZNHRECFQHSQ-UHFFFAOYSA-N 2 1 366.553 4.325 20 0 FIADMP COc1c(C)cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000062426472 1115925871 /nfs/dbraw/zinc/92/58/71/1115925871.db2.gz UAMWNASKRXVXJV-OAQYLSRUSA-N 2 1 352.522 4.314 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)c2O1 ZINC000606469868 1115948018 /nfs/dbraw/zinc/94/80/18/1115948018.db2.gz ZILLVWCQEQTNDZ-FQEVSTJZSA-N 2 1 364.533 4.054 20 0 FIADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)c2O1 ZINC000606469868 1115948019 /nfs/dbraw/zinc/94/80/19/1115948019.db2.gz ZILLVWCQEQTNDZ-FQEVSTJZSA-N 2 1 364.533 4.054 20 0 FIADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000607279433 1116014583 /nfs/dbraw/zinc/01/45/83/1116014583.db2.gz WCWIBVQGGQTPHU-ROUUACIJSA-N 2 1 357.542 4.262 20 0 FIADMP Fc1ccc(-n2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000608492345 1116112178 /nfs/dbraw/zinc/11/21/78/1116112178.db2.gz OTGCQAFWRRKKQA-UHFFFAOYSA-N 2 1 370.516 4.099 20 0 FIADMP C[N@@H+](CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Cc1ccccc1 ZINC000534354019 1116187992 /nfs/dbraw/zinc/18/79/92/1116187992.db2.gz XCCIWSHIFYVRDX-GMAHTHKFSA-N 2 1 352.522 4.266 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000534496859 1116207701 /nfs/dbraw/zinc/20/77/01/1116207701.db2.gz INEFGZPHGHHSRU-PGRDOPGGSA-N 2 1 370.562 4.086 20 0 FIADMP CCSc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000534496859 1116207703 /nfs/dbraw/zinc/20/77/03/1116207703.db2.gz INEFGZPHGHHSRU-PGRDOPGGSA-N 2 1 370.562 4.086 20 0 FIADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793791 1116237494 /nfs/dbraw/zinc/23/74/94/1116237494.db2.gz PRHPDXBFRUDQNU-BDJLRTHQSA-N 2 1 357.723 4.021 20 0 FIADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535083315 1116265976 /nfs/dbraw/zinc/26/59/76/1116265976.db2.gz WQMDAEGZFVDRJF-UHFFFAOYSA-N 2 1 368.569 4.100 20 0 FIADMP CCCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000539791670 1116380870 /nfs/dbraw/zinc/38/08/70/1116380870.db2.gz DUJWKMHGNIAYOK-UHFFFAOYSA-N 2 1 371.613 4.267 20 0 FIADMP CCCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000539791670 1116380871 /nfs/dbraw/zinc/38/08/71/1116380871.db2.gz DUJWKMHGNIAYOK-UHFFFAOYSA-N 3 1 371.613 4.267 20 0 FIADMP CCCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000539791670 1116380872 /nfs/dbraw/zinc/38/08/72/1116380872.db2.gz DUJWKMHGNIAYOK-UHFFFAOYSA-N 3 1 371.613 4.267 20 0 FIADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)[C@H](C)C1 ZINC000539835167 1116388760 /nfs/dbraw/zinc/38/87/60/1116388760.db2.gz HSUCKNYYWSUSRN-QVKFZJNVSA-N 2 1 374.960 4.305 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)s1 ZINC000539899549 1117740961 /nfs/dbraw/zinc/74/09/61/1117740961.db2.gz FSVZNYHYQNVTKE-RLLQIKCJSA-N 2 1 356.535 4.099 20 0 FIADMP Cc1[nH+]c2ccc(Br)cc2c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000462784366 1117762511 /nfs/dbraw/zinc/76/25/11/1117762511.db2.gz DZHZBQHUJSJJMX-HOTGVXAUSA-N 2 1 374.326 4.075 20 0 FIADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000462797800 1117768819 /nfs/dbraw/zinc/76/88/19/1117768819.db2.gz GRXNTSIVVBFFKW-SFHVURJKSA-N 2 1 354.542 4.437 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000462794322 1117777606 /nfs/dbraw/zinc/77/76/06/1117777606.db2.gz FVXIOIZWGBHNEG-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000462794322 1117777610 /nfs/dbraw/zinc/77/76/10/1117777610.db2.gz FVXIOIZWGBHNEG-QGZVFWFLSA-N 2 1 356.485 4.499 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCc3ccsc3)CCCC2)CC1 ZINC000462795665 1117778337 /nfs/dbraw/zinc/77/83/37/1117778337.db2.gz VFBHOLNDMWWMAL-QGZVFWFLSA-N 2 1 350.572 4.082 20 0 FIADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540173119 1117913425 /nfs/dbraw/zinc/91/34/25/1117913425.db2.gz CVEPVEROSQGXDF-BBWFWOEESA-N 2 1 370.484 4.136 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCn2cnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000463080682 1117953188 /nfs/dbraw/zinc/95/31/88/1117953188.db2.gz DDDBCZKZTASXQS-FPOVZHCZSA-N 2 1 362.521 4.069 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000463080682 1117953190 /nfs/dbraw/zinc/95/31/90/1117953190.db2.gz DDDBCZKZTASXQS-FPOVZHCZSA-N 2 1 362.521 4.069 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076916 1117959586 /nfs/dbraw/zinc/95/95/86/1117959586.db2.gz HTIINUOXUYFVOT-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463076916 1117959587 /nfs/dbraw/zinc/95/95/87/1117959587.db2.gz HTIINUOXUYFVOT-SIKLNZKXSA-N 2 1 352.522 4.271 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2c(C)nc3ccccc32)C[C@H]1C ZINC000463105735 1117966638 /nfs/dbraw/zinc/96/66/38/1117966638.db2.gz HCRAKCGXIWYQQO-QUCCMNQESA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@H]1C ZINC000463105735 1117966641 /nfs/dbraw/zinc/96/66/41/1117966641.db2.gz HCRAKCGXIWYQQO-QUCCMNQESA-N 2 1 356.558 4.320 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)C[C@H]1C ZINC000463105735 1117966642 /nfs/dbraw/zinc/96/66/42/1117966642.db2.gz HCRAKCGXIWYQQO-QUCCMNQESA-N 2 1 356.558 4.320 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124311 1117973575 /nfs/dbraw/zinc/97/35/75/1117973575.db2.gz MUMRYZSQTRHSIF-KXBFYZLASA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000463124311 1117973579 /nfs/dbraw/zinc/97/35/79/1117973579.db2.gz MUMRYZSQTRHSIF-KXBFYZLASA-N 2 1 363.427 4.101 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000540301463 1117976448 /nfs/dbraw/zinc/97/64/48/1117976448.db2.gz ZRUQXZBZZNPQEN-MOPGFXCFSA-N 2 1 372.475 4.229 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302004 1117976761 /nfs/dbraw/zinc/97/67/61/1117976761.db2.gz MHHQNCUBVRHZEM-YKSBVNFPSA-N 2 1 364.533 4.301 20 0 FIADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC000463120470 1117979237 /nfs/dbraw/zinc/97/92/37/1117979237.db2.gz VYRKYIMYTZSIKZ-QDSKXPNFSA-N 2 1 365.565 4.240 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCCC[C@H]1C ZINC000463142192 1117980537 /nfs/dbraw/zinc/98/05/37/1117980537.db2.gz DWHFFMAMVBQIOO-QZTJIDSGSA-N 2 1 363.977 4.157 20 0 FIADMP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCCC[C@H]1C ZINC000463142192 1117980539 /nfs/dbraw/zinc/98/05/39/1117980539.db2.gz DWHFFMAMVBQIOO-QZTJIDSGSA-N 2 1 363.977 4.157 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463144903 1117982110 /nfs/dbraw/zinc/98/21/10/1117982110.db2.gz CCVDBGALLCVCRP-WIYYLYMNSA-N 2 1 353.510 4.013 20 0 FIADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463144903 1117982112 /nfs/dbraw/zinc/98/21/12/1117982112.db2.gz CCVDBGALLCVCRP-WIYYLYMNSA-N 2 1 353.510 4.013 20 0 FIADMP CC(C)[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000463132153 1117983572 /nfs/dbraw/zinc/98/35/72/1117983572.db2.gz NKJOOIZFMZZHSV-NRFANRHFSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463135196 1117984550 /nfs/dbraw/zinc/98/45/50/1117984550.db2.gz VNXIZQGOMNUTGP-AKIFATBCSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463135196 1117984554 /nfs/dbraw/zinc/98/45/54/1117984554.db2.gz VNXIZQGOMNUTGP-AKIFATBCSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463135197 1117984843 /nfs/dbraw/zinc/98/48/43/1117984843.db2.gz VNXIZQGOMNUTGP-MZYLBHOOSA-N 2 1 363.549 4.298 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463135197 1117984844 /nfs/dbraw/zinc/98/48/44/1117984844.db2.gz VNXIZQGOMNUTGP-MZYLBHOOSA-N 2 1 363.549 4.298 20 0 FIADMP CCS[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463188745 1118006233 /nfs/dbraw/zinc/00/62/33/1118006233.db2.gz HUEJLTXBXVFHHX-RTWAWAEBSA-N 2 1 364.574 4.487 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Oc1ccccc1F ZINC000463194373 1118009410 /nfs/dbraw/zinc/00/94/10/1118009410.db2.gz YRHAITFFVWBZAY-NLWGTHIKSA-N 2 1 356.485 4.236 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Oc1ccccc1F ZINC000463194373 1118009417 /nfs/dbraw/zinc/00/94/17/1118009417.db2.gz YRHAITFFVWBZAY-NLWGTHIKSA-N 2 1 356.485 4.236 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Oc1ccccc1F ZINC000463194375 1118009688 /nfs/dbraw/zinc/00/96/88/1118009688.db2.gz YRHAITFFVWBZAY-QWFCFKBJSA-N 2 1 356.485 4.236 20 0 FIADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Oc1ccccc1F ZINC000463194375 1118009694 /nfs/dbraw/zinc/00/96/94/1118009694.db2.gz YRHAITFFVWBZAY-QWFCFKBJSA-N 2 1 356.485 4.236 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463189138 1118019436 /nfs/dbraw/zinc/01/94/36/1118019436.db2.gz JCSLHHWXUIMOHF-JDBUVZGPSA-N 2 1 366.549 4.184 20 0 FIADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463189138 1118019445 /nfs/dbraw/zinc/01/94/45/1118019445.db2.gz JCSLHHWXUIMOHF-JDBUVZGPSA-N 2 1 366.549 4.184 20 0 FIADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000463283486 1118069516 /nfs/dbraw/zinc/06/95/16/1118069516.db2.gz TXSCQLNRNKBUIG-RTWAWAEBSA-N 2 1 362.533 4.014 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC000463285610 1118070990 /nfs/dbraw/zinc/07/09/90/1118070990.db2.gz GFUQOTDLGKJIHX-LZNRXBQRSA-N 2 1 366.505 4.162 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCO2 ZINC000463285610 1118070996 /nfs/dbraw/zinc/07/09/96/1118070996.db2.gz GFUQOTDLGKJIHX-LZNRXBQRSA-N 2 1 366.505 4.162 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000463291130 1118085866 /nfs/dbraw/zinc/08/58/66/1118085866.db2.gz WAXNSURLYBTVQS-WNXIRNOKSA-N 2 1 365.565 4.321 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463289925 1118086006 /nfs/dbraw/zinc/08/60/06/1118086006.db2.gz QYJHMNKCKOVGKG-XLIONFOSSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463289925 1118086012 /nfs/dbraw/zinc/08/60/12/1118086012.db2.gz QYJHMNKCKOVGKG-XLIONFOSSA-N 2 1 374.475 4.473 20 0 FIADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000463291128 1118086209 /nfs/dbraw/zinc/08/62/09/1118086209.db2.gz WAXNSURLYBTVQS-UWXQAFAOSA-N 2 1 365.565 4.321 20 0 FIADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@H]1C ZINC000540548436 1118120721 /nfs/dbraw/zinc/12/07/21/1118120721.db2.gz UXEDXITUXVNQAH-CTNGQTDRSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@H]1C ZINC000540548436 1118120724 /nfs/dbraw/zinc/12/07/24/1118120724.db2.gz UXEDXITUXVNQAH-CTNGQTDRSA-N 2 1 374.569 4.187 20 0 FIADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(COc3cccc(COC)c3)CCC2)C[C@H]1C ZINC000540548436 1118120727 /nfs/dbraw/zinc/12/07/27/1118120727.db2.gz UXEDXITUXVNQAH-CTNGQTDRSA-N 2 1 374.569 4.187 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C[C@H](C)CCc3ccccc3)CCCC2)CC1 ZINC000540615556 1118151753 /nfs/dbraw/zinc/15/17/53/1118151753.db2.gz QPJKEDHDKIPDPG-HXUWFJFHSA-N 2 1 358.570 4.269 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618861 1118155918 /nfs/dbraw/zinc/15/59/18/1118155918.db2.gz ZXCIHBVKDNVOFE-KVSKMBFKSA-N 2 1 370.459 4.105 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540618861 1118155920 /nfs/dbraw/zinc/15/59/20/1118155920.db2.gz ZXCIHBVKDNVOFE-KVSKMBFKSA-N 2 1 370.459 4.105 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000540912208 1118311904 /nfs/dbraw/zinc/31/19/04/1118311904.db2.gz HJNGQMWUFFPOHE-OPAMFIHVSA-N 2 1 367.468 4.355 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000540988117 1118339933 /nfs/dbraw/zinc/33/99/33/1118339933.db2.gz GKEMNGJJZGSXCX-RPWUZVMVSA-N 2 1 364.533 4.274 20 0 FIADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(Cl)cccc1Cl ZINC000090079225 1118360588 /nfs/dbraw/zinc/36/05/88/1118360588.db2.gz XXHLYCXAFXKHSG-GOSISDBHSA-N 2 1 371.352 4.414 20 0 FIADMP CCC[N@H+]([C@H](C)Cc1ccsc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000541235565 1118437438 /nfs/dbraw/zinc/43/74/38/1118437438.db2.gz QDKZCVUDLOIFIO-QGZVFWFLSA-N 2 1 372.582 4.467 20 0 FIADMP CCC[N@@H+]([C@H](C)Cc1ccsc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000541235565 1118437443 /nfs/dbraw/zinc/43/74/43/1118437443.db2.gz QDKZCVUDLOIFIO-QGZVFWFLSA-N 2 1 372.582 4.467 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000541350258 1118483050 /nfs/dbraw/zinc/48/30/50/1118483050.db2.gz VVYFZWFVUNLSEJ-ICSRJNTNSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000541350258 1118483052 /nfs/dbraw/zinc/48/30/52/1118483052.db2.gz VVYFZWFVUNLSEJ-ICSRJNTNSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]1C[C@@H]([N@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350258 1118483054 /nfs/dbraw/zinc/48/30/54/1118483054.db2.gz VVYFZWFVUNLSEJ-ICSRJNTNSA-N 2 1 360.542 4.093 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000541350258 1118483057 /nfs/dbraw/zinc/48/30/57/1118483057.db2.gz VVYFZWFVUNLSEJ-ICSRJNTNSA-N 2 1 360.542 4.093 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000541536195 1118553819 /nfs/dbraw/zinc/55/38/19/1118553819.db2.gz DLXXPRJKYABIRL-OAQYLSRUSA-N 2 1 350.441 4.442 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000541565516 1118556692 /nfs/dbraw/zinc/55/66/92/1118556692.db2.gz CGCYKISBFVTLHT-VFNWGFHPSA-N 2 1 352.457 4.049 20 0 FIADMP C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602838 1118583556 /nfs/dbraw/zinc/58/35/56/1118583556.db2.gz BKNIUIWLKDUNRG-GJZGRUSLSA-N 2 1 354.897 4.101 20 0 FIADMP Clc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000541744372 1118629960 /nfs/dbraw/zinc/62/99/60/1118629960.db2.gz GQVRLKQYQDWVTH-QFIPXVFZSA-N 2 1 370.924 4.339 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000541909457 1118697446 /nfs/dbraw/zinc/69/74/46/1118697446.db2.gz KQXZFGFQAWMDJI-CQSZACIVSA-N 2 1 363.299 4.093 20 0 FIADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000541909457 1118697449 /nfs/dbraw/zinc/69/74/49/1118697449.db2.gz KQXZFGFQAWMDJI-CQSZACIVSA-N 2 1 363.299 4.093 20 0 FIADMP COc1cccc(CCC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000464843898 1118718941 /nfs/dbraw/zinc/71/89/41/1118718941.db2.gz ZKRZLWDQAFDRIR-QFIPXVFZSA-N 2 1 352.522 4.082 20 0 FIADMP COc1cccc(CCC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464843898 1118718943 /nfs/dbraw/zinc/71/89/43/1118718943.db2.gz ZKRZLWDQAFDRIR-QFIPXVFZSA-N 2 1 352.522 4.082 20 0 FIADMP COc1cccc(CCC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464843898 1118718945 /nfs/dbraw/zinc/71/89/45/1118718945.db2.gz ZKRZLWDQAFDRIR-QFIPXVFZSA-N 2 1 352.522 4.082 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C3CC(c4cccc(F)c4)C3)CCCC2)CC1 ZINC000542179895 1118829870 /nfs/dbraw/zinc/82/98/70/1118829870.db2.gz QGRRTIMEGFAWAO-UHFFFAOYSA-N 2 1 360.517 4.085 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365928 1119035492 /nfs/dbraw/zinc/03/54/92/1119035492.db2.gz UXVBXSFZQAFIQB-IAGOWNOFSA-N 2 1 374.550 4.328 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365928 1119035496 /nfs/dbraw/zinc/03/54/96/1119035496.db2.gz UXVBXSFZQAFIQB-IAGOWNOFSA-N 2 1 374.550 4.328 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000492259569 1119056199 /nfs/dbraw/zinc/05/61/99/1119056199.db2.gz QEXBXOFEECWZSW-SJKOYZFVSA-N 2 1 362.315 4.176 20 0 FIADMP C[C@H](NCc1coc(-c2cccs2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492462999 1119098158 /nfs/dbraw/zinc/09/81/58/1119098158.db2.gz HRXMWOYZGFQBQA-FUHWJXTLSA-N 2 1 367.518 4.403 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492533593 1119119889 /nfs/dbraw/zinc/11/98/89/1119119889.db2.gz AZPYYMCEUHQVQG-AZUAARDMSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492533593 1119119892 /nfs/dbraw/zinc/11/98/92/1119119892.db2.gz AZPYYMCEUHQVQG-AZUAARDMSA-N 2 1 367.537 4.259 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000174679003 1119141950 /nfs/dbraw/zinc/14/19/50/1119141950.db2.gz UQBUZNUJOIPRRC-UHFFFAOYSA-N 2 1 368.525 4.114 20 0 FIADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000178117198 1119372484 /nfs/dbraw/zinc/37/24/84/1119372484.db2.gz IVXNCBWEANWBPH-FGTMMUONSA-N 2 1 354.542 4.057 20 0 FIADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493634 1119376904 /nfs/dbraw/zinc/37/69/04/1119376904.db2.gz KDEPGAVFBZOWDW-CVDCTZTESA-N 2 1 350.506 4.184 20 0 FIADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311633982 1119382690 /nfs/dbraw/zinc/38/26/90/1119382690.db2.gz JRNBNYBUULODQP-IPJJNNNSSA-N 2 1 352.522 4.126 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H]3CC(C)(C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC000178322285 1119384123 /nfs/dbraw/zinc/38/41/23/1119384123.db2.gz FDJYQCUQUWUUCG-FQEVSTJZSA-N 2 1 350.510 4.074 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000311821915 1119390592 /nfs/dbraw/zinc/39/05/92/1119390592.db2.gz QOIJKFPAGQKHEI-PWHSHALESA-N 2 1 352.522 4.126 20 0 FIADMP C[C@@H]([NH2+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1)c1ccccc1 ZINC000493869981 1119501059 /nfs/dbraw/zinc/50/10/59/1119501059.db2.gz CXWCNSXYVJRYRQ-AYWYSENESA-N 2 1 354.538 4.197 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493935285 1119511949 /nfs/dbraw/zinc/51/19/49/1119511949.db2.gz HZUOJBCBPKFGMR-DMKPSLHHSA-N 2 1 365.359 4.405 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000542471894 1119523158 /nfs/dbraw/zinc/52/31/58/1119523158.db2.gz VKFHAQCJSPXNMF-VGSWGCGISA-N 2 1 363.505 4.275 20 0 FIADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCCO2 ZINC000183187600 1119568399 /nfs/dbraw/zinc/56/83/99/1119568399.db2.gz DOUOGQBRRUXTQT-POAQFYNOSA-N 2 1 358.526 4.152 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000190889718 1119952421 /nfs/dbraw/zinc/95/24/21/1119952421.db2.gz FCDUSSXPLWGVNF-UHFFFAOYSA-N 2 1 354.542 4.056 20 0 FIADMP Cc1c([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000542487488 1119955868 /nfs/dbraw/zinc/95/58/68/1119955868.db2.gz KFDRJADWKIWPRK-SJORKVTESA-N 2 1 358.505 4.235 20 0 FIADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000191092343 1119960860 /nfs/dbraw/zinc/96/08/60/1119960860.db2.gz XEYBOLPSSYPLES-IBGZPJMESA-N 2 1 366.553 4.241 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC000191304547 1119970188 /nfs/dbraw/zinc/97/01/88/1119970188.db2.gz SHPCPYUHYMMGCA-QGZVFWFLSA-N 2 1 363.509 4.271 20 0 FIADMP COc1ccc([C@H]2CCCCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000191401601 1119975409 /nfs/dbraw/zinc/97/54/09/1119975409.db2.gz ZNKHXVMLUGWKNU-HSZRJFAPSA-N 2 1 373.585 4.028 20 0 FIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194044493 1120233610 /nfs/dbraw/zinc/23/36/10/1120233610.db2.gz QWTUVXYWFGIVOB-ZHNGQKSSSA-N 2 1 354.538 4.149 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194044507 1120233620 /nfs/dbraw/zinc/23/36/20/1120233620.db2.gz QWTUVXYWFGIVOB-BRKWEVRTSA-N 2 1 354.538 4.149 20 0 FIADMP C[N@@H+](CCCOCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542508522 1120289236 /nfs/dbraw/zinc/28/92/36/1120289236.db2.gz VWXAAYGKBVEDJD-HSZRJFAPSA-N 2 1 352.522 4.047 20 0 FIADMP C[NH+](CCCOCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542508522 1120289239 /nfs/dbraw/zinc/28/92/39/1120289239.db2.gz VWXAAYGKBVEDJD-HSZRJFAPSA-N 2 1 352.522 4.047 20 0 FIADMP C[NH+](CCCOCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542508522 1120289245 /nfs/dbraw/zinc/28/92/45/1120289245.db2.gz VWXAAYGKBVEDJD-HSZRJFAPSA-N 2 1 352.522 4.047 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737425 1120298829 /nfs/dbraw/zinc/29/88/29/1120298829.db2.gz CEEZVXXPENXCHS-OALUTQOASA-N 2 1 371.569 4.335 20 0 FIADMP Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nn1C ZINC000670114317 1120342519 /nfs/dbraw/zinc/34/25/19/1120342519.db2.gz LOCMGVDTCYTYNT-QNKZKCNHSA-N 2 1 372.944 4.086 20 0 FIADMP Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1C ZINC000670114317 1120342526 /nfs/dbraw/zinc/34/25/26/1120342526.db2.gz LOCMGVDTCYTYNT-QNKZKCNHSA-N 2 1 372.944 4.086 20 0 FIADMP C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532755 1120429338 /nfs/dbraw/zinc/42/93/38/1120429338.db2.gz PTCHHTCADZOSSH-HZPDHXFCSA-N 2 1 370.459 4.327 20 0 FIADMP C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495186297 1120531790 /nfs/dbraw/zinc/53/17/90/1120531790.db2.gz WORFMZLOALWTKN-PZJWPPBQSA-N 2 1 356.554 4.226 20 0 FIADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000495438870 1120824473 /nfs/dbraw/zinc/82/44/73/1120824473.db2.gz JDVARZFWOKBHOZ-ZYSHUDEJSA-N 2 1 355.551 4.329 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)C[C@H](C)O1 ZINC000495547034 1120882537 /nfs/dbraw/zinc/88/25/37/1120882537.db2.gz KTJZRJXPKCGOMJ-YDIMBITNSA-N 2 1 364.533 4.463 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650769 1120945494 /nfs/dbraw/zinc/94/54/94/1120945494.db2.gz RPZMGOZUPOVLEI-HUUCEWRRSA-N 2 1 358.498 4.153 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650769 1120945495 /nfs/dbraw/zinc/94/54/95/1120945495.db2.gz RPZMGOZUPOVLEI-HUUCEWRRSA-N 2 1 358.498 4.153 20 0 FIADMP Clc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925085 1120997869 /nfs/dbraw/zinc/99/78/69/1120997869.db2.gz BCEUJUJHWSCAIT-UHFFFAOYSA-N 2 1 355.913 4.223 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2cccc(COCc3ccccc3)c2)CC1 ZINC000155052613 1121175196 /nfs/dbraw/zinc/17/51/96/1121175196.db2.gz UVKAKOOKOLFPCU-UHFFFAOYSA-N 2 1 352.522 4.367 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000763414918 1121580784 /nfs/dbraw/zinc/58/07/84/1121580784.db2.gz NWTGIDLHSNZODA-GIHONLOASA-N 2 1 370.512 4.138 20 0 FIADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000763414918 1121580790 /nfs/dbraw/zinc/58/07/90/1121580790.db2.gz NWTGIDLHSNZODA-GIHONLOASA-N 2 1 370.512 4.138 20 0 FIADMP C[C@@H]1C[C@@H](Nc2ccncc2Br)CC[N@H+]1Cc1ccccc1 ZINC000306604996 1121598456 /nfs/dbraw/zinc/59/84/56/1121598456.db2.gz ZRPMZWOFUMKLKC-ZBFHGGJFSA-N 2 1 360.299 4.309 20 0 FIADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000306604996 1121598464 /nfs/dbraw/zinc/59/84/64/1121598464.db2.gz ZRPMZWOFUMKLKC-ZBFHGGJFSA-N 2 1 360.299 4.309 20 0 FIADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2Br)CC[N@H+]1Cc1ccccc1 ZINC000306604996 1121598472 /nfs/dbraw/zinc/59/84/72/1121598472.db2.gz ZRPMZWOFUMKLKC-ZBFHGGJFSA-N 2 1 360.299 4.309 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000123820719 1121635807 /nfs/dbraw/zinc/63/58/07/1121635807.db2.gz QEBUDYCBXFCNHC-UHFFFAOYSA-N 2 1 360.933 4.047 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000123820719 1121635811 /nfs/dbraw/zinc/63/58/11/1121635811.db2.gz QEBUDYCBXFCNHC-UHFFFAOYSA-N 2 1 360.933 4.047 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCOc3ccc(OC)cc32)c1 ZINC000123900026 1121642896 /nfs/dbraw/zinc/64/28/96/1121642896.db2.gz CPNINQADEUDCOK-NRFANRHFSA-N 2 1 354.494 4.150 20 0 FIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc2c(c1)OCCO2 ZINC000123923328 1121646965 /nfs/dbraw/zinc/64/69/65/1121646965.db2.gz JPPZNHJZUYXFQP-FQEVSTJZSA-N 2 1 354.494 4.150 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)C[C@H](C)O1 ZINC000124593063 1121707391 /nfs/dbraw/zinc/70/73/91/1121707391.db2.gz QNSFWKMFYYHING-IEGUWTFLSA-N 2 1 350.506 4.073 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)ccn2)cc1 ZINC000124956370 1121734753 /nfs/dbraw/zinc/73/47/53/1121734753.db2.gz WTXSMVXPNVYEBO-UTKZUKDTSA-N 2 1 369.509 4.093 20 0 FIADMP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)ccn2)cc1 ZINC000124956370 1121734761 /nfs/dbraw/zinc/73/47/61/1121734761.db2.gz WTXSMVXPNVYEBO-UTKZUKDTSA-N 2 1 369.509 4.093 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000125160525 1121751909 /nfs/dbraw/zinc/75/19/09/1121751909.db2.gz NFYROIDPIXQZMP-FQEVSTJZSA-N 2 1 351.498 4.178 20 0 FIADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000125160525 1121751917 /nfs/dbraw/zinc/75/19/17/1121751917.db2.gz NFYROIDPIXQZMP-FQEVSTJZSA-N 2 1 351.498 4.178 20 0 FIADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000125575842 1121793783 /nfs/dbraw/zinc/79/37/83/1121793783.db2.gz NWEXIPOHFWQFFE-HDICACEKSA-N 2 1 356.510 4.194 20 0 FIADMP COCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000125575842 1121793790 /nfs/dbraw/zinc/79/37/90/1121793790.db2.gz NWEXIPOHFWQFFE-HDICACEKSA-N 2 1 356.510 4.194 20 0 FIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000125802110 1121840966 /nfs/dbraw/zinc/84/09/66/1121840966.db2.gz HHPSNINGHSDYAY-GOSISDBHSA-N 2 1 363.977 4.014 20 0 FIADMP COC[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000125886012 1121861102 /nfs/dbraw/zinc/86/11/02/1121861102.db2.gz MYRHMZJWNRHVBO-YJBOKZPZSA-N 2 1 358.448 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000125886012 1121861115 /nfs/dbraw/zinc/86/11/15/1121861115.db2.gz MYRHMZJWNRHVBO-YJBOKZPZSA-N 2 1 358.448 4.103 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000125886012 1121861130 /nfs/dbraw/zinc/86/11/30/1121861130.db2.gz MYRHMZJWNRHVBO-YJBOKZPZSA-N 2 1 358.448 4.103 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008896 1121997454 /nfs/dbraw/zinc/99/74/54/1121997454.db2.gz USPYFVWZCSGBGR-HRAATJIYSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3cc(F)ccc3F)cc2)C1 ZINC000917007716 1121999441 /nfs/dbraw/zinc/99/94/41/1121999441.db2.gz AUISTQCXZGVBRZ-KSFYIVLOSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)cc1 ZINC000917008176 1122000193 /nfs/dbraw/zinc/00/01/93/1122000193.db2.gz GNSWOZCQQZCBSB-KSFYIVLOSA-N 2 1 374.475 4.162 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000126803846 1122000903 /nfs/dbraw/zinc/00/09/03/1122000903.db2.gz HPYARQTYTXHCLM-HRAATJIYSA-N 2 1 356.535 4.246 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000126803846 1122000919 /nfs/dbraw/zinc/00/09/19/1122000919.db2.gz HPYARQTYTXHCLM-HRAATJIYSA-N 2 1 356.535 4.246 20 0 FIADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000616026159 1122001906 /nfs/dbraw/zinc/00/19/06/1122001906.db2.gz RBZYNDVXVNFSQB-HOTGVXAUSA-N 2 1 360.933 4.188 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000765798088 1122014219 /nfs/dbraw/zinc/01/42/19/1122014219.db2.gz DTVSQBAXTARKCJ-UWJYYQICSA-N 2 1 360.542 4.158 20 0 FIADMP COc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166564193 1122027506 /nfs/dbraw/zinc/02/75/06/1122027506.db2.gz MDKNMZLFAIBGNA-RBUKOAKNSA-N 2 1 352.478 4.204 20 0 FIADMP COc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166564193 1122027516 /nfs/dbraw/zinc/02/75/16/1122027516.db2.gz MDKNMZLFAIBGNA-RBUKOAKNSA-N 2 1 352.478 4.204 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000917069745 1122075696 /nfs/dbraw/zinc/07/56/96/1122075696.db2.gz ZXLHCJLWKFPOJC-HSZRJFAPSA-N 2 1 354.538 4.317 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166377401 1122102157 /nfs/dbraw/zinc/10/21/57/1122102157.db2.gz FRJNNHZYJGURMV-SBHAEUEKSA-N 2 1 354.469 4.162 20 0 FIADMP Fc1ccccc1OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166377401 1122102159 /nfs/dbraw/zinc/10/21/59/1122102159.db2.gz FRJNNHZYJGURMV-SBHAEUEKSA-N 2 1 354.469 4.162 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000765813905 1122110911 /nfs/dbraw/zinc/11/09/11/1122110911.db2.gz GZEBBVRGWCUJKC-BTYIYWSLSA-N 2 1 369.896 4.392 20 0 FIADMP COc1ccc([C@H]2C[C@H]([N@@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626996 1122187755 /nfs/dbraw/zinc/18/77/55/1122187755.db2.gz ZVRJXQBEBCIYRH-NXLVEIQXSA-N 2 1 360.542 4.143 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497387225 1122199665 /nfs/dbraw/zinc/19/96/65/1122199665.db2.gz QTELJIRKRUWCAA-DLTYFMDKSA-N 2 1 364.533 4.264 20 0 FIADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000128565792 1122346570 /nfs/dbraw/zinc/34/65/70/1122346570.db2.gz RGJQQJBYOVONRQ-HXUWFJFHSA-N 2 1 351.538 4.032 20 0 FIADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000129473411 1122610342 /nfs/dbraw/zinc/61/03/42/1122610342.db2.gz CWUGMMVQUPMBBT-NSHDSACASA-N 2 1 366.349 4.298 20 0 FIADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c2ccccc21 ZINC000556077398 1122639822 /nfs/dbraw/zinc/63/98/22/1122639822.db2.gz XOSIZRYEMAOYPE-KRWDZBQOSA-N 2 1 356.485 4.275 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556129891 1122676707 /nfs/dbraw/zinc/67/67/07/1122676707.db2.gz IKGNYQOGTMUNPF-DBXVSBKESA-N 2 1 356.485 4.327 20 0 FIADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556129891 1122676710 /nfs/dbraw/zinc/67/67/10/1122676710.db2.gz IKGNYQOGTMUNPF-DBXVSBKESA-N 2 1 356.485 4.327 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)oc1C ZINC000129853170 1122704694 /nfs/dbraw/zinc/70/46/94/1122704694.db2.gz BGXBKYTWXFTWQN-DLBZAZTESA-N 2 1 373.463 4.214 20 0 FIADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230733 1122757058 /nfs/dbraw/zinc/75/70/58/1122757058.db2.gz ANFIPZXFMCDWRS-ZLNRFVROSA-N 2 1 370.581 4.474 20 0 FIADMP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000072725481 1123133447 /nfs/dbraw/zinc/13/34/47/1123133447.db2.gz SGQPNZQQQVLVRT-AWEZNQCLSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725481 1123133451 /nfs/dbraw/zinc/13/34/51/1123133451.db2.gz SGQPNZQQQVLVRT-AWEZNQCLSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000072725481 1123133452 /nfs/dbraw/zinc/13/34/52/1123133452.db2.gz SGQPNZQQQVLVRT-AWEZNQCLSA-N 2 1 372.340 4.128 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000556872088 1123155210 /nfs/dbraw/zinc/15/52/10/1123155210.db2.gz OKNDDGLKFDNTHU-STZQEDGTSA-N 2 1 353.510 4.017 20 0 FIADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000556872088 1123155213 /nfs/dbraw/zinc/15/52/13/1123155213.db2.gz OKNDDGLKFDNTHU-STZQEDGTSA-N 2 1 353.510 4.017 20 0 FIADMP COc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000556883460 1123158840 /nfs/dbraw/zinc/15/88/40/1123158840.db2.gz JZAXOIOVVYYTPQ-UHFFFAOYSA-N 2 1 350.506 4.183 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000556884282 1123160498 /nfs/dbraw/zinc/16/04/98/1123160498.db2.gz ANNVMYPEOITHCS-UHFFFAOYSA-N 2 1 360.489 4.315 20 0 FIADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000499067261 1123184484 /nfs/dbraw/zinc/18/44/84/1123184484.db2.gz BBOLVZOHJMEAMM-OAHLLOKOSA-N 2 1 366.328 4.123 20 0 FIADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000499067261 1123184486 /nfs/dbraw/zinc/18/44/86/1123184486.db2.gz BBOLVZOHJMEAMM-OAHLLOKOSA-N 2 1 366.328 4.123 20 0 FIADMP CN(CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499146005 1123287940 /nfs/dbraw/zinc/28/79/40/1123287940.db2.gz IYAJIMFFOSHVNT-ULPXVVAUSA-N 2 1 363.549 4.298 20 0 FIADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499191625 1123319897 /nfs/dbraw/zinc/31/98/97/1123319897.db2.gz MGRSUAFKIOKRIM-WBDAEOGXSA-N 2 1 352.497 4.462 20 0 FIADMP C[NH+](C)CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217782 1123333558 /nfs/dbraw/zinc/33/35/58/1123333558.db2.gz WONJHVRJFMLZTB-YUMYIRISSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217782 1123333560 /nfs/dbraw/zinc/33/35/60/1123333560.db2.gz WONJHVRJFMLZTB-YUMYIRISSA-N 3 1 357.586 4.138 20 0 FIADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)C ZINC000499217782 1123333565 /nfs/dbraw/zinc/33/35/65/1123333565.db2.gz WONJHVRJFMLZTB-YUMYIRISSA-N 3 1 357.586 4.138 20 0 FIADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(C)nn(C)c1C ZINC000499245972 1123363577 /nfs/dbraw/zinc/36/35/77/1123363577.db2.gz BQVRPDHXXTYRTJ-YUMYIRISSA-N 2 1 366.553 4.273 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000920181372 1123398254 /nfs/dbraw/zinc/39/82/54/1123398254.db2.gz UDIROUXUTWJUSJ-IBGZPJMESA-N 2 1 356.485 4.226 20 0 FIADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)cc2)CC1 ZINC000649288421 1123933684 /nfs/dbraw/zinc/93/36/84/1123933684.db2.gz PEJQJQQETLEDED-HXUWFJFHSA-N 2 1 371.912 4.210 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccccc1 ZINC000615316036 1123988788 /nfs/dbraw/zinc/98/87/88/1123988788.db2.gz HXXRXNPFWLUMFE-OALUTQOASA-N 2 1 365.521 4.035 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000237718902 1124028811 /nfs/dbraw/zinc/02/88/11/1124028811.db2.gz QMACFJKCNYWKFY-UHFFFAOYSA-N 2 1 374.960 4.495 20 0 FIADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245609734 1124140118 /nfs/dbraw/zinc/14/01/18/1124140118.db2.gz NWZZFRKILRLBRS-TWFHAPMSSA-N 2 1 368.525 4.307 20 0 FIADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245655378 1124169907 /nfs/dbraw/zinc/16/99/07/1124169907.db2.gz DIPBLBRGIQDEHT-CCSDVLNMSA-N 2 1 356.554 4.223 20 0 FIADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000245676152 1124186512 /nfs/dbraw/zinc/18/65/12/1124186512.db2.gz ICOQGBIDZGCHQU-DVWBAYGPSA-N 2 1 364.489 4.262 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000245702193 1124209915 /nfs/dbraw/zinc/20/99/15/1124209915.db2.gz MAHBLWOIVAUIIR-OWZKRDHZSA-N 2 1 355.551 4.033 20 0 FIADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000180106128 1124228001 /nfs/dbraw/zinc/22/80/01/1124228001.db2.gz JSNSZOWWXUAFAC-KBRMVUAJSA-N 2 1 370.924 4.159 20 0 FIADMP OCCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000245737511 1124228600 /nfs/dbraw/zinc/22/86/00/1124228600.db2.gz RAFRUBAGZDADFU-UEQSERJNSA-N 2 1 364.533 4.285 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)cc1 ZINC000765877742 1124309108 /nfs/dbraw/zinc/30/91/08/1124309108.db2.gz GDYLXNNPFVQLAC-GAJHUEQPSA-N 2 1 361.489 4.055 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1nccn1C ZINC000246017396 1124315637 /nfs/dbraw/zinc/31/56/37/1124315637.db2.gz JIVYBGJYOWJZJP-OPYAIIAOSA-N 2 1 354.542 4.139 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000765881161 1124326845 /nfs/dbraw/zinc/32/68/45/1124326845.db2.gz NMYMKODQZMAEFV-WVQWTBLQSA-N 2 1 374.528 4.373 20 0 FIADMP CC(C)Oc1ccc2[nH+]ccc(N3CCC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000450480054 1124396768 /nfs/dbraw/zinc/39/67/68/1124396768.db2.gz ABGSWMMJFDZVQZ-INIZCTEOSA-N 2 1 350.466 4.140 20 0 FIADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000542848570 1124448843 /nfs/dbraw/zinc/44/88/43/1124448843.db2.gz RWLYHQQSGKKLPQ-PGRDOPGGSA-N 2 1 370.924 4.074 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1Cl ZINC000246330787 1124449651 /nfs/dbraw/zinc/44/96/51/1124449651.db2.gz BHHRFUWQLNYRRQ-IAGOWNOFSA-N 2 1 358.913 4.412 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1Cl ZINC000246330787 1124449654 /nfs/dbraw/zinc/44/96/54/1124449654.db2.gz BHHRFUWQLNYRRQ-IAGOWNOFSA-N 2 1 358.913 4.412 20 0 FIADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000246473357 1124509309 /nfs/dbraw/zinc/50/93/09/1124509309.db2.gz QQPVVNUPXDFGNO-HRCADAONSA-N 2 1 356.963 4.210 20 0 FIADMP c1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1-c1ccccc1 ZINC000246563735 1124534144 /nfs/dbraw/zinc/53/41/44/1124534144.db2.gz LAXNWMHQZQUJOA-HKUYNNGSSA-N 2 1 353.535 4.259 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)cc1 ZINC000246970871 1124577235 /nfs/dbraw/zinc/57/72/35/1124577235.db2.gz JDPPGNPSCAJRDW-IAGOWNOFSA-N 2 1 358.913 4.412 20 0 FIADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)cc1 ZINC000246970871 1124577239 /nfs/dbraw/zinc/57/72/39/1124577239.db2.gz JDPPGNPSCAJRDW-IAGOWNOFSA-N 2 1 358.913 4.412 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)CCO1 ZINC000247211105 1124598746 /nfs/dbraw/zinc/59/87/46/1124598746.db2.gz WYVRWCNRXBRBIT-MBSDFSHPSA-N 2 1 350.506 4.075 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)CCO1 ZINC000247211105 1124598750 /nfs/dbraw/zinc/59/87/50/1124598750.db2.gz WYVRWCNRXBRBIT-MBSDFSHPSA-N 2 1 350.506 4.075 20 0 FIADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000247449213 1124709009 /nfs/dbraw/zinc/70/90/09/1124709009.db2.gz YVNKMZIRSOTVBU-RTBURBONSA-N 2 1 354.542 4.281 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000248403793 1124762829 /nfs/dbraw/zinc/76/28/29/1124762829.db2.gz PDHLEFUGGIWOCK-BZSNNMDCSA-N 2 1 360.542 4.316 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000248432106 1124767298 /nfs/dbraw/zinc/76/72/98/1124767298.db2.gz CNMVMILHGIRBSW-IFMALSPDSA-N 2 1 370.562 4.336 20 0 FIADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN[C@H]3CCSc4ccccc43)C2)cc1 ZINC000248744932 1124808117 /nfs/dbraw/zinc/80/81/17/1124808117.db2.gz FHYUHVLWIDXNBR-FPOVZHCZSA-N 2 1 368.546 4.104 20 0 FIADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccccc3OCC3CC3)C2)cc1 ZINC000062426495 1124809840 /nfs/dbraw/zinc/80/98/40/1124809840.db2.gz NKUXDOPXRCRWFY-QFIPXVFZSA-N 2 1 364.533 4.477 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccccc3OCC3CC3)C2)cc1 ZINC000062426495 1124809849 /nfs/dbraw/zinc/80/98/49/1124809849.db2.gz NKUXDOPXRCRWFY-QFIPXVFZSA-N 2 1 364.533 4.477 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000542907337 1124824251 /nfs/dbraw/zinc/82/42/51/1124824251.db2.gz QJOLBEWNQVGYQC-OAQYLSRUSA-N 2 1 356.485 4.408 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285187 1125061622 /nfs/dbraw/zinc/06/16/22/1125061622.db2.gz DVSKSWQERARFEB-JOCHJYFZSA-N 2 1 361.549 4.064 20 0 FIADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000091285188 1125062499 /nfs/dbraw/zinc/06/24/99/1125062499.db2.gz DVSKSWQERARFEB-QFIPXVFZSA-N 2 1 361.549 4.064 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066228 1125117841 /nfs/dbraw/zinc/11/78/41/1125117841.db2.gz YDOFJISGHKOPGH-OFNKIYASSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066228 1125117844 /nfs/dbraw/zinc/11/78/44/1125117844.db2.gz YDOFJISGHKOPGH-OFNKIYASSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066228 1125117849 /nfs/dbraw/zinc/11/78/49/1125117849.db2.gz YDOFJISGHKOPGH-OFNKIYASSA-N 2 1 365.496 4.336 20 0 FIADMP Fc1cc(-c2ccncc2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066228 1125117851 /nfs/dbraw/zinc/11/78/51/1125117851.db2.gz YDOFJISGHKOPGH-OFNKIYASSA-N 2 1 365.496 4.336 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCC1CCOCC1 ZINC000499625399 1125389566 /nfs/dbraw/zinc/38/95/66/1125389566.db2.gz LRZDVKRFYSSHHA-NPHXMPSESA-N 2 1 358.570 4.330 20 0 FIADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564028 1125439603 /nfs/dbraw/zinc/43/96/03/1125439603.db2.gz APADBKOAYPXXGO-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564028 1125439606 /nfs/dbraw/zinc/43/96/06/1125439606.db2.gz APADBKOAYPXXGO-JOCHJYFZSA-N 2 1 365.521 4.111 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000066960841 568072369 /nfs/dbraw/zinc/07/23/69/568072369.db2.gz IDKWCPFRISYKGO-KRWDZBQOSA-N 2 1 356.514 4.242 20 0 FIADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc2ccccc21 ZINC000604774376 568364232 /nfs/dbraw/zinc/36/42/32/568364232.db2.gz UIWVJTPSDGWOHX-JXFKEZNVSA-N 2 1 355.526 4.123 20 0 FIADMP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1csc(Cl)c1 ZINC000390909650 568533574 /nfs/dbraw/zinc/53/35/74/568533574.db2.gz NOUMSKDDBDWEPD-QAPCUYQASA-N 2 1 364.942 4.343 20 0 FIADMP Clc1ccccc1SCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000670987495 1125506878 /nfs/dbraw/zinc/50/68/78/1125506878.db2.gz VKFUXLUFBDVCOO-QGZVFWFLSA-N 2 1 368.974 4.009 20 0 FIADMP CCc1cnc(C[NH2+][C@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)s1 ZINC000183046777 1125733273 /nfs/dbraw/zinc/73/32/73/1125733273.db2.gz LRPHEUFVERPXBI-OAHLLOKOSA-N 2 1 361.555 4.407 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)C[C@H](C)O1 ZINC001648785904 1079577481 /nfs/dbraw/zinc/57/74/81/1079577481.db2.gz LBLOSJDIVYPRAN-KDURUIRLSA-N 2 1 364.533 4.074 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000683140862 1079669291 /nfs/dbraw/zinc/66/92/91/1079669291.db2.gz NTVJTDFPGPQKSH-UHFFFAOYSA-N 2 1 356.485 4.369 20 0 FIADMP Cc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180094096 1080440872 /nfs/dbraw/zinc/44/08/72/1080440872.db2.gz DUQIIYWMMSKEQM-HDICACEKSA-N 2 1 356.485 4.033 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1F ZINC000180231084 1080468193 /nfs/dbraw/zinc/46/81/93/1080468193.db2.gz XDAIFPJIUMUIGL-VGOFRKELSA-N 2 1 356.485 4.287 20 0 FIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1F ZINC000180231084 1080468202 /nfs/dbraw/zinc/46/82/02/1080468202.db2.gz XDAIFPJIUMUIGL-VGOFRKELSA-N 2 1 356.485 4.287 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000180641783 1080531724 /nfs/dbraw/zinc/53/17/24/1080531724.db2.gz QYFMMWWUCQWJLZ-JPYJTQIMSA-N 2 1 366.549 4.402 20 0 FIADMP CCN(Cc1cccs1)CC1(C[N@@H+](CC)Cc2cccs2)COC1 ZINC000579901736 1080908950 /nfs/dbraw/zinc/90/89/50/1080908950.db2.gz FZQVUYFBTIJMHU-UHFFFAOYSA-N 2 1 364.580 4.170 20 0 FIADMP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000312519845 1080965292 /nfs/dbraw/zinc/96/52/92/1080965292.db2.gz OIRGYUJSQYDGPM-GHTZIAJQSA-N 2 1 368.521 4.094 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655758266 1081178003 /nfs/dbraw/zinc/17/80/03/1081178003.db2.gz VADBQGBXLSETSD-SJLPKXTDSA-N 2 1 370.516 4.062 20 0 FIADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000655758266 1081178006 /nfs/dbraw/zinc/17/80/06/1081178006.db2.gz VADBQGBXLSETSD-SJLPKXTDSA-N 2 1 370.516 4.062 20 0 FIADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766504 1081182468 /nfs/dbraw/zinc/18/24/68/1081182468.db2.gz HOFQYXDBUYGWHX-LEWJYISDSA-N 2 1 364.961 4.313 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC(C)(C)CC3)cc2)CC1 ZINC001648815010 1081227836 /nfs/dbraw/zinc/22/78/36/1081227836.db2.gz YDWVDZNOUBMNIP-QFIPXVFZSA-N 2 1 357.586 4.273 20 0 FIADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001167310134 1081271216 /nfs/dbraw/zinc/27/12/16/1081271216.db2.gz NWKRCYXZDIJCPJ-XMMPIXPASA-N 2 1 366.549 4.088 20 0 FIADMP CC1CCC([N@@H+](CCCc2cncn2C)Cc2ccc3c(c2)OCO3)CC1 ZINC001167310167 1081272643 /nfs/dbraw/zinc/27/26/43/1081272643.db2.gz OSYIFMURYXWSLK-UHFFFAOYSA-N 2 1 369.509 4.162 20 0 FIADMP CC1CCC([N@H+](CCCc2c[nH+]cn2C)Cc2ccc3c(c2)OCO3)CC1 ZINC001167310167 1081272648 /nfs/dbraw/zinc/27/26/48/1081272648.db2.gz OSYIFMURYXWSLK-UHFFFAOYSA-N 2 1 369.509 4.162 20 0 FIADMP CC1CCC([N@@H+](CCCc2c[nH+]cn2C)Cc2ccc3c(c2)OCO3)CC1 ZINC001167310167 1081272654 /nfs/dbraw/zinc/27/26/54/1081272654.db2.gz OSYIFMURYXWSLK-UHFFFAOYSA-N 2 1 369.509 4.162 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580073583 1081571570 /nfs/dbraw/zinc/57/15/70/1081571570.db2.gz PDWQHMHLULWPRQ-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580073583 1081571576 /nfs/dbraw/zinc/57/15/76/1081571576.db2.gz PDWQHMHLULWPRQ-OAQYLSRUSA-N 2 1 359.517 4.497 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816223 1081618312 /nfs/dbraw/zinc/61/83/12/1081618312.db2.gz NBZSUICJKYXKQM-WPYKKVEZSA-N 2 1 352.522 4.264 20 0 FIADMP COCC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000580209042 1081753373 /nfs/dbraw/zinc/75/33/73/1081753373.db2.gz USWVJVQBYYYYAW-KRWDZBQOSA-N 2 1 356.297 4.027 20 0 FIADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125126661 1081905034 /nfs/dbraw/zinc/90/50/34/1081905034.db2.gz QMFBZQPEWKLCFQ-WMZHIEFXSA-N 2 1 352.522 4.059 20 0 FIADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)cc1 ZINC000557127317 1081982869 /nfs/dbraw/zinc/98/28/69/1081982869.db2.gz RPGGOPJJJTWSHJ-UHFFFAOYSA-N 2 1 359.322 4.285 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638071 1082060672 /nfs/dbraw/zinc/06/06/72/1082060672.db2.gz QAHCDRGUGOSIFU-SIKLNZKXSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638071 1082060678 /nfs/dbraw/zinc/06/06/78/1082060678.db2.gz QAHCDRGUGOSIFU-SIKLNZKXSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638071 1082060686 /nfs/dbraw/zinc/06/06/86/1082060686.db2.gz QAHCDRGUGOSIFU-SIKLNZKXSA-N 2 1 367.537 4.049 20 0 FIADMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638071 1082060692 /nfs/dbraw/zinc/06/06/92/1082060692.db2.gz QAHCDRGUGOSIFU-SIKLNZKXSA-N 2 1 367.537 4.049 20 0 FIADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312974723 1082108867 /nfs/dbraw/zinc/10/88/67/1082108867.db2.gz KSVRTPXZODJCHA-NPPFBWRTSA-N 2 1 365.521 4.206 20 0 FIADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909616 1082217307 /nfs/dbraw/zinc/21/73/07/1082217307.db2.gz ASSGVENGGZELMO-KNQAVFIVSA-N 2 1 355.570 4.209 20 0 FIADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909616 1082217312 /nfs/dbraw/zinc/21/73/12/1082217312.db2.gz ASSGVENGGZELMO-KNQAVFIVSA-N 2 1 355.570 4.209 20 0 FIADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909617 1082218157 /nfs/dbraw/zinc/21/81/57/1082218157.db2.gz ASSGVENGGZELMO-SIKLNZKXSA-N 2 1 355.570 4.209 20 0 FIADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000580909617 1082218162 /nfs/dbraw/zinc/21/81/62/1082218162.db2.gz ASSGVENGGZELMO-SIKLNZKXSA-N 2 1 355.570 4.209 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)cc1 ZINC000128043652 1082291320 /nfs/dbraw/zinc/29/13/20/1082291320.db2.gz ATKOEWGEFHLXIE-WXFUMESZSA-N 2 1 364.508 4.008 20 0 FIADMP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656784356 1082768295 /nfs/dbraw/zinc/76/82/95/1082768295.db2.gz CPTFGGAWLLLILN-KRWDZBQOSA-N 2 1 359.514 4.161 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000647173062 1082804929 /nfs/dbraw/zinc/80/49/29/1082804929.db2.gz VBANSQRPTAEUFA-UHFFFAOYSA-N 2 1 371.431 4.229 20 0 FIADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000684394903 1082828505 /nfs/dbraw/zinc/82/85/05/1082828505.db2.gz OAHLTNVATQNGQA-TZRRMPRUSA-N 2 1 363.549 4.213 20 0 FIADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000518267271 1083024668 /nfs/dbraw/zinc/02/46/68/1083024668.db2.gz GYWIVADZCKWVOJ-KDURUIRLSA-N 2 1 368.569 4.006 20 0 FIADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000518267271 1083024676 /nfs/dbraw/zinc/02/46/76/1083024676.db2.gz GYWIVADZCKWVOJ-KDURUIRLSA-N 2 1 368.569 4.006 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913787 1083037737 /nfs/dbraw/zinc/03/77/37/1083037737.db2.gz AHOUXXJOQASBKY-KSSFIOAISA-N 2 1 369.347 4.086 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)C1 ZINC000581913787 1083037744 /nfs/dbraw/zinc/03/77/44/1083037744.db2.gz AHOUXXJOQASBKY-KSSFIOAISA-N 2 1 369.347 4.086 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000658237983 1083368068 /nfs/dbraw/zinc/36/80/68/1083368068.db2.gz ONLXLQWAILZHGE-XPJNUEMQSA-N 2 1 350.506 4.412 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1)C1CC1 ZINC000510900910 1083369896 /nfs/dbraw/zinc/36/98/96/1083369896.db2.gz UESUYBXYKNVUAS-UHFFFAOYSA-N 2 1 360.461 4.109 20 0 FIADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000658319517 1083405644 /nfs/dbraw/zinc/40/56/44/1083405644.db2.gz DSRAMHYCPDJCHQ-VQIMIIECSA-N 2 1 355.551 4.404 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000092752577 1083409907 /nfs/dbraw/zinc/40/99/07/1083409907.db2.gz VXMCNEMRWCJRJY-GOSISDBHSA-N 2 1 362.315 4.401 20 0 FIADMP C[C@@H](O)[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000658358937 1083429548 /nfs/dbraw/zinc/42/95/48/1083429548.db2.gz BBEDRGGYTHCJFC-AULURCSPSA-N 2 1 352.522 4.141 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561386 1083438779 /nfs/dbraw/zinc/43/87/79/1083438779.db2.gz BZRYKOGFUJCBJK-LMDPOFIKSA-N 2 1 352.563 4.131 20 0 FIADMP C[C@@H]([NH2+]CCc1ccc2ccccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483248 1083459238 /nfs/dbraw/zinc/45/92/38/1083459238.db2.gz LDZMCXSEAWMRSX-KNQAVFIVSA-N 2 1 359.517 4.278 20 0 FIADMP CCC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548483511 1083467943 /nfs/dbraw/zinc/46/79/43/1083467943.db2.gz ATFUGWZMQXYKNF-WIYYLYMNSA-N 2 1 365.521 4.035 20 0 FIADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCn3cc[nH+]c3C)s2)cc1 ZINC000510978568 1083553437 /nfs/dbraw/zinc/55/34/37/1083553437.db2.gz TUBIFKSXVUHHFB-AWEZNQCLSA-N 2 1 370.522 4.373 20 0 FIADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000510977801 1083553679 /nfs/dbraw/zinc/55/36/79/1083553679.db2.gz JSAOMVOKXBOSNP-ACESQOTJSA-N 2 1 370.581 4.472 20 0 FIADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000510977801 1083553690 /nfs/dbraw/zinc/55/36/90/1083553690.db2.gz JSAOMVOKXBOSNP-ACESQOTJSA-N 2 1 370.581 4.472 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2F)s1 ZINC000535809887 1083697494 /nfs/dbraw/zinc/69/74/94/1083697494.db2.gz OCLLZWBGWZWIFE-UIAACRFSSA-N 2 1 374.525 4.238 20 0 FIADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180959879 1083703038 /nfs/dbraw/zinc/70/30/38/1083703038.db2.gz ZJNAILZQVDDGKQ-GOTSBHOMSA-N 2 1 364.533 4.134 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000236828883 1083992242 /nfs/dbraw/zinc/99/22/42/1083992242.db2.gz KGIWFIINURLBBM-IEBWSBKVSA-N 2 1 368.525 4.019 20 0 FIADMP CCn1nc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)c2ccccc21 ZINC000472038184 1084134926 /nfs/dbraw/zinc/13/49/26/1084134926.db2.gz NTPCEGAJTUCPSH-UHFFFAOYSA-N 2 1 350.510 4.188 20 0 FIADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511020375 1084205880 /nfs/dbraw/zinc/20/58/80/1084205880.db2.gz XOBAAASKWNGHEQ-IEBWSBKVSA-N 2 1 358.476 4.398 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000511029338 1084256718 /nfs/dbraw/zinc/25/67/18/1084256718.db2.gz LZUVTIMSRMGELD-UHFFFAOYSA-N 2 1 373.585 4.109 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000511038157 1084308894 /nfs/dbraw/zinc/30/88/94/1084308894.db2.gz NVPPVOLTAXCSGU-STZQEDGTSA-N 2 1 350.506 4.023 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000511038157 1084308900 /nfs/dbraw/zinc/30/89/00/1084308900.db2.gz NVPPVOLTAXCSGU-STZQEDGTSA-N 2 1 350.506 4.023 20 0 FIADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000472509440 1084369630 /nfs/dbraw/zinc/36/96/30/1084369630.db2.gz XSQWIOCWLQUXQQ-QGZVFWFLSA-N 2 1 370.459 4.138 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000472509440 1084369639 /nfs/dbraw/zinc/36/96/39/1084369639.db2.gz XSQWIOCWLQUXQQ-QGZVFWFLSA-N 2 1 370.459 4.138 20 0 FIADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000472509440 1084369654 /nfs/dbraw/zinc/36/96/54/1084369654.db2.gz XSQWIOCWLQUXQQ-QGZVFWFLSA-N 2 1 370.459 4.138 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)c1 ZINC000414066633 1084415086 /nfs/dbraw/zinc/41/50/86/1084415086.db2.gz IHPURJQXLRIWDQ-OAHLLOKOSA-N 2 1 353.441 4.488 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121851 1084670488 /nfs/dbraw/zinc/67/04/88/1084670488.db2.gz MICSLDLWLNYRGA-APWZRJJASA-N 2 1 355.551 4.342 20 0 FIADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000582121851 1084670499 /nfs/dbraw/zinc/67/04/99/1084670499.db2.gz MICSLDLWLNYRGA-APWZRJJASA-N 2 1 355.551 4.342 20 0 FIADMP CC(C)c1[nH+]c(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2ccccn21 ZINC000563257057 1084683600 /nfs/dbraw/zinc/68/36/00/1084683600.db2.gz GYHYKKZSHHZUMT-MSOLQXFVSA-N 2 1 354.542 4.200 20 0 FIADMP CC(C)c1[nH+]c(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c2ccccn21 ZINC000563257057 1084683604 /nfs/dbraw/zinc/68/36/04/1084683604.db2.gz GYHYKKZSHHZUMT-MSOLQXFVSA-N 2 1 354.542 4.200 20 0 FIADMP CCn1ccc(C[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)n1 ZINC000414215710 1084837858 /nfs/dbraw/zinc/83/78/58/1084837858.db2.gz YISGAAUOSNFQDC-JOCHJYFZSA-N 2 1 372.532 4.385 20 0 FIADMP O[C@H](C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161401238 1085002411 /nfs/dbraw/zinc/00/24/11/1085002411.db2.gz KUFUJPWLNSLKDW-RTBURBONSA-N 2 1 350.572 4.292 20 0 FIADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486513 1085063095 /nfs/dbraw/zinc/06/30/95/1085063095.db2.gz MMTBVBQFADEVRA-NHCUHLMSSA-N 2 1 368.521 4.014 20 0 FIADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582486513 1085063100 /nfs/dbraw/zinc/06/31/00/1085063100.db2.gz MMTBVBQFADEVRA-NHCUHLMSSA-N 2 1 368.521 4.014 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)cc(OC(F)(F)F)c1 ZINC001143470719 1085068515 /nfs/dbraw/zinc/06/85/15/1085068515.db2.gz BRHHFOSDJXEQJP-INIZCTEOSA-N 2 1 366.383 4.250 20 0 FIADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000684928074 1085195235 /nfs/dbraw/zinc/19/52/35/1085195235.db2.gz YQVCYVVFHVGJSS-BXXSPATCSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2sccc21 ZINC000582587967 1085198790 /nfs/dbraw/zinc/19/87/90/1085198790.db2.gz OCFJRRNHVKWQMU-JRGCBEDISA-N 2 1 369.578 4.265 20 0 FIADMP C[C@@H]1CC[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2sccc21 ZINC000582587968 1085199892 /nfs/dbraw/zinc/19/98/92/1085199892.db2.gz OCFJRRNHVKWQMU-QMMLZNLJSA-N 2 1 369.578 4.265 20 0 FIADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC001167601286 1085412389 /nfs/dbraw/zinc/41/23/89/1085412389.db2.gz APJGDNIVZNYRME-GOSISDBHSA-N 2 1 368.949 4.060 20 0 FIADMP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)OC1CCCC1 ZINC000657589046 1085641288 /nfs/dbraw/zinc/64/12/88/1085641288.db2.gz ZWAUPDLHMVUGAG-SFHVURJKSA-N 2 1 362.480 4.263 20 0 FIADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1 ZINC000432237626 1085909240 /nfs/dbraw/zinc/90/92/40/1085909240.db2.gz IOZPDOXFPCVALF-UHFFFAOYSA-N 2 1 371.283 4.363 20 0 FIADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350241 1085927808 /nfs/dbraw/zinc/92/78/08/1085927808.db2.gz NITLCHURBBOOLQ-VAGZCVSGSA-N 2 1 357.325 4.273 20 0 FIADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351491 1085937297 /nfs/dbraw/zinc/93/72/97/1085937297.db2.gz ABSRUFKJRPBAIS-NYDSKATKSA-N 2 1 363.505 4.061 20 0 FIADMP CC1CC[NH+](CCc2cccc(NCc3ncc(C[NH+](C)C)s3)c2)CC1 ZINC000511905993 1085948745 /nfs/dbraw/zinc/94/87/45/1085948745.db2.gz HJUGVTHUZBFVKJ-UHFFFAOYSA-N 2 1 372.582 4.091 20 0 FIADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293727 1086398766 /nfs/dbraw/zinc/39/87/66/1086398766.db2.gz MMNVSZOITBJOGU-GOEBONIOSA-N 2 1 362.468 4.204 20 0 FIADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294204 1086399020 /nfs/dbraw/zinc/39/90/20/1086399020.db2.gz PUFJFIKFTAKLEA-IBGZPJMESA-N 2 1 351.494 4.086 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1CCC[NH3+] ZINC000662317017 1086411982 /nfs/dbraw/zinc/41/19/82/1086411982.db2.gz ZFNNNGZYHDUGOD-CZUORRHYSA-N 2 1 372.340 4.161 20 0 FIADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313501 1086412811 /nfs/dbraw/zinc/41/28/11/1086412811.db2.gz SREZGIDZTZHYJC-XMSQKQJNSA-N 2 1 365.521 4.132 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H]1CCC[NH3+] ZINC000662313953 1086413473 /nfs/dbraw/zinc/41/34/73/1086413473.db2.gz AGOWDHRTSGKEJF-XMSQKQJNSA-N 2 1 353.510 4.000 20 0 FIADMP Cc1ccc(-c2nc(CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)cs2)cc1 ZINC000663345529 1086446505 /nfs/dbraw/zinc/44/65/05/1086446505.db2.gz KJAAZBAITNFWIR-SFHVURJKSA-N 2 1 355.551 4.330 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)s1 ZINC000663346894 1086447489 /nfs/dbraw/zinc/44/74/89/1086447489.db2.gz WTAVIWDJWHUEBS-OCCSQVGLSA-N 2 1 357.361 4.283 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC(F)CC1 ZINC000657745381 1086462460 /nfs/dbraw/zinc/46/24/60/1086462460.db2.gz VQOBQFYXFVUKSW-PPDQVPDSSA-N 2 1 350.497 4.339 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663443862 1086545887 /nfs/dbraw/zinc/54/58/87/1086545887.db2.gz RYYYSZYGJOUWHC-INIZCTEOSA-N 2 1 367.356 4.228 20 0 FIADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000657751327 1086561130 /nfs/dbraw/zinc/56/11/30/1086561130.db2.gz QBQHXJGERFKSMZ-XMSQKQJNSA-N 2 1 358.570 4.006 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663467000 1086568919 /nfs/dbraw/zinc/56/89/19/1086568919.db2.gz CIXFMAVQVREVOC-GOEBONIOSA-N 2 1 368.468 4.069 20 0 FIADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472824 1086579208 /nfs/dbraw/zinc/57/92/08/1086579208.db2.gz ARNDYDLSNKWHDS-HNAYVOBHSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472824 1086579217 /nfs/dbraw/zinc/57/92/17/1086579217.db2.gz ARNDYDLSNKWHDS-HNAYVOBHSA-N 2 1 363.427 4.101 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663472824 1086579224 /nfs/dbraw/zinc/57/92/24/1086579224.db2.gz ARNDYDLSNKWHDS-HNAYVOBHSA-N 2 1 363.427 4.101 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001167821037 1086582357 /nfs/dbraw/zinc/58/23/57/1086582357.db2.gz AAOLVCJPTRGHCW-QGZVFWFLSA-N 2 1 372.582 4.116 20 0 FIADMP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)cs2)cs1 ZINC000925780589 1086598381 /nfs/dbraw/zinc/59/83/81/1086598381.db2.gz FXMUCZMDMRZDPZ-GWCFXTLKSA-N 2 1 357.495 4.075 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001167825025 1086611046 /nfs/dbraw/zinc/61/10/46/1086611046.db2.gz PSWNAARNUISHOH-VWPQPMDRSA-N 2 1 359.558 4.073 20 0 FIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000583380788 1086627194 /nfs/dbraw/zinc/62/71/94/1086627194.db2.gz DYEBUZCRHCBQHH-JOCHJYFZSA-N 3 1 355.570 4.039 20 0 FIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000583380788 1086627196 /nfs/dbraw/zinc/62/71/96/1086627196.db2.gz DYEBUZCRHCBQHH-JOCHJYFZSA-N 3 1 355.570 4.039 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833374 1086664907 /nfs/dbraw/zinc/66/49/07/1086664907.db2.gz AMOSSNKZFOOGFR-OALUTQOASA-N 2 1 369.594 4.218 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001167834681 1086687110 /nfs/dbraw/zinc/68/71/10/1086687110.db2.gz LUMCSURGUCNHRP-HNNXBMFYSA-N 2 1 369.347 4.154 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001167834681 1086687112 /nfs/dbraw/zinc/68/71/12/1086687112.db2.gz LUMCSURGUCNHRP-HNNXBMFYSA-N 2 1 369.347 4.154 20 0 FIADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001167837520 1086711499 /nfs/dbraw/zinc/71/14/99/1086711499.db2.gz MBEOKWYYPPCVEM-OKZBNKHCSA-N 2 1 352.526 4.027 20 0 FIADMP COc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432407066 1086728618 /nfs/dbraw/zinc/72/86/18/1086728618.db2.gz JYTXBMDEGLXHNT-GCJKJVERSA-N 2 1 360.542 4.017 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001167841367 1086734937 /nfs/dbraw/zinc/73/49/37/1086734937.db2.gz LMOCSOPUWNDZIS-ISKFKSNPSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001167841367 1086734940 /nfs/dbraw/zinc/73/49/40/1086734940.db2.gz LMOCSOPUWNDZIS-ISKFKSNPSA-N 3 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001167841367 1086734946 /nfs/dbraw/zinc/73/49/46/1086734946.db2.gz LMOCSOPUWNDZIS-ISKFKSNPSA-N 2 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841367 1086734951 /nfs/dbraw/zinc/73/49/51/1086734951.db2.gz LMOCSOPUWNDZIS-ISKFKSNPSA-N 2 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001167841367 1086734958 /nfs/dbraw/zinc/73/49/58/1086734958.db2.gz LMOCSOPUWNDZIS-ISKFKSNPSA-N 2 1 371.613 4.485 20 0 FIADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841615 1086737801 /nfs/dbraw/zinc/73/78/01/1086737801.db2.gz NDJQVMKAMNNORW-NQIIRXRSSA-N 2 1 369.594 4.218 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417746 1086741020 /nfs/dbraw/zinc/74/10/20/1086741020.db2.gz OCUPKKHYLDFVPP-JKSUJKDBSA-N 2 1 372.525 4.195 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417746 1086741029 /nfs/dbraw/zinc/74/10/29/1086741029.db2.gz OCUPKKHYLDFVPP-JKSUJKDBSA-N 2 1 372.525 4.195 20 0 FIADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432418034 1086744175 /nfs/dbraw/zinc/74/41/75/1086744175.db2.gz YCRXEVQBDMFSSX-NXVRBGIVSA-N 2 1 351.332 4.017 20 0 FIADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432419916 1086746150 /nfs/dbraw/zinc/74/61/50/1086746150.db2.gz HEDWYOOKQKCZPX-LSDHHAIUSA-N 2 1 359.341 4.015 20 0 FIADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432419916 1086746156 /nfs/dbraw/zinc/74/61/56/1086746156.db2.gz HEDWYOOKQKCZPX-LSDHHAIUSA-N 2 1 359.341 4.015 20 0 FIADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)C1 ZINC000650706805 1086759829 /nfs/dbraw/zinc/75/98/29/1086759829.db2.gz SOWKFFSQKQLNQZ-RZQQEMMASA-N 2 1 374.525 4.273 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(Cl)c1F ZINC000583529020 1086771410 /nfs/dbraw/zinc/77/14/10/1086771410.db2.gz VFFXMTUVJOHBPK-QGZVFWFLSA-N 2 1 365.880 4.055 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000512137789 1086811618 /nfs/dbraw/zinc/81/16/18/1086811618.db2.gz VYJXERUOEPEIPF-SFHVURJKSA-N 2 1 368.521 4.368 20 0 FIADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000512137789 1086811635 /nfs/dbraw/zinc/81/16/35/1086811635.db2.gz VYJXERUOEPEIPF-SFHVURJKSA-N 2 1 368.521 4.368 20 0 FIADMP CCC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000657771794 1086819303 /nfs/dbraw/zinc/81/93/03/1086819303.db2.gz GHBSADMVUYWFMB-NRFANRHFSA-N 2 1 356.554 4.085 20 0 FIADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)C1 ZINC000650722082 1086828032 /nfs/dbraw/zinc/82/80/32/1086828032.db2.gz KJIWZUBCGMBAHX-OIBXWCBGSA-N 2 1 366.505 4.340 20 0 FIADMP C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000246176529 1086903223 /nfs/dbraw/zinc/90/32/23/1086903223.db2.gz BQXVMTLWLBTFLN-HBFSDRIKSA-N 2 1 357.542 4.025 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000657787632 1086934628 /nfs/dbraw/zinc/93/46/28/1086934628.db2.gz DOZVWYZVGSRDAW-BWTOGOOGSA-N 2 1 350.481 4.107 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000657787632 1086934630 /nfs/dbraw/zinc/93/46/30/1086934630.db2.gz DOZVWYZVGSRDAW-BWTOGOOGSA-N 2 1 350.481 4.107 20 0 FIADMP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCSCC1 ZINC001279642109 1087060017 /nfs/dbraw/zinc/06/00/17/1087060017.db2.gz FLQZTSLVAZKTGP-MQVJKMGUSA-N 2 1 350.494 4.057 20 0 FIADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974190 1087290266 /nfs/dbraw/zinc/29/02/66/1087290266.db2.gz QINWVJWLMPBRCD-OCCSQVGLSA-N 2 1 357.845 4.054 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000657847780 1087294212 /nfs/dbraw/zinc/29/42/12/1087294212.db2.gz ZXUGUOAEOPHBSO-LBPRGKRZSA-N 2 1 359.823 4.475 20 0 FIADMP COc1cc(C)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000083453574 1087340121 /nfs/dbraw/zinc/34/01/21/1087340121.db2.gz AZBRHRWUBVUNDY-UHFFFAOYSA-N 2 1 356.510 4.142 20 0 FIADMP c1cc(-c2ncc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000092066596 1087437293 /nfs/dbraw/zinc/43/72/93/1087437293.db2.gz NSLNPGJTGPUXHH-KDOFPFPSSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cs1 ZINC000092066596 1087437297 /nfs/dbraw/zinc/43/72/97/1087437297.db2.gz NSLNPGJTGPUXHH-KDOFPFPSSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cs1 ZINC000092066596 1087437303 /nfs/dbraw/zinc/43/73/03/1087437303.db2.gz NSLNPGJTGPUXHH-KDOFPFPSSA-N 2 1 359.564 4.320 20 0 FIADMP c1cc(-c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)s2)cs1 ZINC000092066596 1087437306 /nfs/dbraw/zinc/43/73/06/1087437306.db2.gz NSLNPGJTGPUXHH-KDOFPFPSSA-N 2 1 359.564 4.320 20 0 FIADMP C[N@@H+](Cc1cc(-c2ccccc2)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457894 1087573267 /nfs/dbraw/zinc/57/32/67/1087573267.db2.gz RSHSOVGWNIQBJY-NRFANRHFSA-N 2 1 369.578 4.015 20 0 FIADMP C[C@@H]([NH2+]CCc1ccnc2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658128242 1087734120 /nfs/dbraw/zinc/73/41/20/1087734120.db2.gz CCHFXPMRKMXOGU-DENIHFKCSA-N 2 1 359.517 4.278 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137318 1087741195 /nfs/dbraw/zinc/74/11/95/1087741195.db2.gz GLFMTADMPPNYJJ-IAGOWNOFSA-N 2 1 364.942 4.209 20 0 FIADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](CC3CCC3)c3ccccc3)cc2)C1 ZINC000658136277 1087741998 /nfs/dbraw/zinc/74/19/98/1087741998.db2.gz GMMGYRRLRAIDNE-DNQXCXABSA-N 2 1 364.533 4.274 20 0 FIADMP CC(C)CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccoc1 ZINC000658139241 1087744904 /nfs/dbraw/zinc/74/49/04/1087744904.db2.gz PMVQZBZRJBYDES-FCHUYYIVSA-N 2 1 356.510 4.113 20 0 FIADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nc(-c2ccc(Cl)cc2)n1 ZINC000424289553 1087897921 /nfs/dbraw/zinc/89/79/21/1087897921.db2.gz LZARORJERRGFRV-INIZCTEOSA-N 2 1 370.928 4.069 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(Cl)c1 ZINC000424276070 1087908448 /nfs/dbraw/zinc/90/84/48/1087908448.db2.gz XVSGPKWEWAKGLU-OAHLLOKOSA-N 2 1 362.901 4.140 20 0 FIADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)c(Cl)c1 ZINC000424318750 1087916105 /nfs/dbraw/zinc/91/61/05/1087916105.db2.gz RSDWCYFJOHLWRR-OAHLLOKOSA-N 2 1 359.901 4.372 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000424317913 1087918079 /nfs/dbraw/zinc/91/80/79/1087918079.db2.gz RGSRURMKEYTDFJ-FTRWYGJKSA-N 2 1 368.949 4.136 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000424317913 1087918080 /nfs/dbraw/zinc/91/80/80/1087918080.db2.gz RGSRURMKEYTDFJ-FTRWYGJKSA-N 2 1 368.949 4.136 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659285867 1088416786 /nfs/dbraw/zinc/41/67/86/1088416786.db2.gz SMEXWIPTMJZDDG-JTSKRJEESA-N 2 1 363.505 4.234 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258312 1088479506 /nfs/dbraw/zinc/47/95/06/1088479506.db2.gz WNRHHHSZKZNDHZ-DKSSEZFCSA-N 2 1 359.514 4.093 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258312 1088479515 /nfs/dbraw/zinc/47/95/15/1088479515.db2.gz WNRHHHSZKZNDHZ-DKSSEZFCSA-N 2 1 359.514 4.093 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000311479514 1088688614 /nfs/dbraw/zinc/68/86/14/1088688614.db2.gz HIKCDFFXZWUVLC-HTAPYJJXSA-N 2 1 356.485 4.397 20 0 FIADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000514083023 1088722177 /nfs/dbraw/zinc/72/21/77/1088722177.db2.gz JGBRYRQPZJAQGD-UHFFFAOYSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514237544 1088931094 /nfs/dbraw/zinc/93/10/94/1088931094.db2.gz JWGYGGVFVNZBDS-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000514237544 1088931100 /nfs/dbraw/zinc/93/11/00/1088931100.db2.gz JWGYGGVFVNZBDS-AWEZNQCLSA-N 2 1 352.400 4.397 20 0 FIADMP c1[nH+]c(C2CC[NH+](CCCOCc3ccccc3)CC2)n2c1CCCC2 ZINC000434671270 1088936993 /nfs/dbraw/zinc/93/69/93/1088936993.db2.gz UDMVVACTAWFBNJ-UHFFFAOYSA-N 2 1 353.510 4.006 20 0 FIADMP FC(F)Oc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434674417 1088941148 /nfs/dbraw/zinc/94/11/48/1088941148.db2.gz VIMJJDRAGYKKLJ-UHFFFAOYSA-N 2 1 361.436 4.200 20 0 FIADMP COc1ccccc1CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689647 1088947840 /nfs/dbraw/zinc/94/78/40/1088947840.db2.gz XBSPLIHCMOOKQE-UHFFFAOYSA-N 2 1 353.510 4.040 20 0 FIADMP Cc1ccccc1OCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683749 1088952812 /nfs/dbraw/zinc/95/28/12/1088952812.db2.gz HWUNRIXUTNIBEA-UHFFFAOYSA-N 2 1 353.510 4.176 20 0 FIADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Oc1cccnc1 ZINC000415055566 1089102360 /nfs/dbraw/zinc/10/23/60/1089102360.db2.gz RGEATKAOHIKKAO-FPOVZHCZSA-N 2 1 351.494 4.146 20 0 FIADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000415081802 1089138245 /nfs/dbraw/zinc/13/82/45/1089138245.db2.gz NMDMWLDXIYZBHI-QTEQDKRBSA-N 2 1 366.505 4.238 20 0 FIADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415111532 1089166481 /nfs/dbraw/zinc/16/64/81/1089166481.db2.gz CGQYOKCWZTYRGB-BPAFIMBUSA-N 2 1 373.338 4.463 20 0 FIADMP COc1ccccc1CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000505588260 1089191126 /nfs/dbraw/zinc/19/11/26/1089191126.db2.gz RJZMSCGMORUPJS-UHFFFAOYSA-N 2 1 367.537 4.261 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C(C3CCC3)C3CCC3)CC2)cs1 ZINC000549229241 1089290321 /nfs/dbraw/zinc/29/03/21/1089290321.db2.gz SMFMUNUOWXCLOR-UHFFFAOYSA-N 2 1 361.599 4.476 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125088 1089304965 /nfs/dbraw/zinc/30/49/65/1089304965.db2.gz UVPKUSSOUXDQHK-KRWDZBQOSA-N 2 1 356.514 4.146 20 0 FIADMP CO[C@H](C)[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549237095 1089317730 /nfs/dbraw/zinc/31/77/30/1089317730.db2.gz JTVCHWFGUAHTKX-KAYQNVEMSA-N 2 1 350.934 4.267 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380851 1089587213 /nfs/dbraw/zinc/58/72/13/1089587213.db2.gz UBDNPFFDWAGFDA-HUUCEWRRSA-N 2 1 360.933 4.128 20 0 FIADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435380851 1089587224 /nfs/dbraw/zinc/58/72/24/1089587224.db2.gz UBDNPFFDWAGFDA-HUUCEWRRSA-N 2 1 360.933 4.128 20 0 FIADMP c1ccc(C[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435389299 1089594517 /nfs/dbraw/zinc/59/45/17/1089594517.db2.gz JVKXZQTXYRKVIQ-HSZRJFAPSA-N 2 1 372.516 4.288 20 0 FIADMP c1ccc(C[N@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435389299 1089594532 /nfs/dbraw/zinc/59/45/32/1089594532.db2.gz JVKXZQTXYRKVIQ-HSZRJFAPSA-N 2 1 372.516 4.288 20 0 FIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001625891499 1089768828 /nfs/dbraw/zinc/76/88/28/1089768828.db2.gz KMCYONFIJLDWLX-GOSISDBHSA-N 2 1 357.542 4.264 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425407814 1089918405 /nfs/dbraw/zinc/91/84/05/1089918405.db2.gz QLJUXPPGPGPJGY-UHFFFAOYSA-N 2 1 352.526 4.088 20 0 FIADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414874582 1089979798 /nfs/dbraw/zinc/97/97/98/1089979798.db2.gz IGMYKJPQJGZUEQ-CQSZACIVSA-N 2 1 352.309 4.089 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000582102557 1090712512 /nfs/dbraw/zinc/71/25/12/1090712512.db2.gz WTJSIZVXQSQJMI-ZDUSSCGKSA-N 2 1 360.914 4.394 20 0 FIADMP CC[N@@H+](CCCc1cnccc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584806910 1090908602 /nfs/dbraw/zinc/90/86/02/1090908602.db2.gz RUDMXCHYNPJDDW-QFIPXVFZSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1cnccc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584806910 1090908605 /nfs/dbraw/zinc/90/86/05/1090908605.db2.gz RUDMXCHYNPJDDW-QFIPXVFZSA-N 2 1 351.538 4.167 20 0 FIADMP CC[NH+](CCCc1cnccc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584806910 1090908608 /nfs/dbraw/zinc/90/86/08/1090908608.db2.gz RUDMXCHYNPJDDW-QFIPXVFZSA-N 2 1 351.538 4.167 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000236865544 1091043609 /nfs/dbraw/zinc/04/36/09/1091043609.db2.gz CDABRZRYPBVSCC-GHTZIAJQSA-N 2 1 356.510 4.173 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000236865544 1091043615 /nfs/dbraw/zinc/04/36/15/1091043615.db2.gz CDABRZRYPBVSCC-GHTZIAJQSA-N 2 1 356.510 4.173 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000398009073 1091189848 /nfs/dbraw/zinc/18/98/48/1091189848.db2.gz BZIQXQZGIWLEPD-XGRCMKMKSA-N 2 1 354.925 4.307 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000398009073 1091189856 /nfs/dbraw/zinc/18/98/56/1091189856.db2.gz BZIQXQZGIWLEPD-XGRCMKMKSA-N 2 1 354.925 4.307 20 0 FIADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000500416084 1091469892 /nfs/dbraw/zinc/46/98/92/1091469892.db2.gz MWFMNIRGWZBYHN-MAUBAPBLSA-N 2 1 370.459 4.199 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](Cc3ccccc3)C(C)C)CC2)oc1C ZINC000187195632 1091851659 /nfs/dbraw/zinc/85/16/59/1091851659.db2.gz RETQURRIIYUBCR-JOCHJYFZSA-N 2 1 369.553 4.360 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(F)cc4cccnc43)C2)CC1 ZINC000512194980 1091884023 /nfs/dbraw/zinc/88/40/23/1091884023.db2.gz MRJPJWXOSUJCEA-GOSISDBHSA-N 2 1 355.501 4.318 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)CC1 ZINC000512194980 1091884028 /nfs/dbraw/zinc/88/40/28/1091884028.db2.gz MRJPJWXOSUJCEA-GOSISDBHSA-N 2 1 355.501 4.318 20 0 FIADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204506 1091909255 /nfs/dbraw/zinc/90/92/55/1091909255.db2.gz UPWKEDIKCWRUBF-ROUUACIJSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204506 1091909261 /nfs/dbraw/zinc/90/92/61/1091909261.db2.gz UPWKEDIKCWRUBF-ROUUACIJSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204506 1091909262 /nfs/dbraw/zinc/90/92/62/1091909262.db2.gz UPWKEDIKCWRUBF-ROUUACIJSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000512204506 1091909265 /nfs/dbraw/zinc/90/92/65/1091909265.db2.gz UPWKEDIKCWRUBF-ROUUACIJSA-N 2 1 370.516 4.302 20 0 FIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000512312338 1092031725 /nfs/dbraw/zinc/03/17/25/1092031725.db2.gz CYTYUBXJWBYOPY-BQFCYCMXSA-N 2 1 369.553 4.220 20 0 FIADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)c(OC)c1 ZINC000512314227 1092031868 /nfs/dbraw/zinc/03/18/68/1092031868.db2.gz NNOLVQRNNWGTJD-KPFFTGBYSA-N 2 1 360.542 4.398 20 0 FIADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000512354628 1092126082 /nfs/dbraw/zinc/12/60/82/1092126082.db2.gz HMMOTKKZNYIGEB-CTYIDZIISA-N 2 1 369.456 4.259 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)cc1 ZINC000500525601 1092189667 /nfs/dbraw/zinc/18/96/67/1092189667.db2.gz IEOONEISAKHUTL-GOTSBHOMSA-N 2 1 350.506 4.290 20 0 FIADMP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)cc1 ZINC000500525601 1092189669 /nfs/dbraw/zinc/18/96/69/1092189669.db2.gz IEOONEISAKHUTL-GOTSBHOMSA-N 2 1 350.506 4.290 20 0 FIADMP CC1CC[NH+](CCCN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168011799 1092229025 /nfs/dbraw/zinc/22/90/25/1092229025.db2.gz SOLNAINOZJSUCL-IUTQVRIDSA-N 2 1 357.586 4.140 20 0 FIADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000093089196 1092246624 /nfs/dbraw/zinc/24/66/24/1092246624.db2.gz IPLROHJSOVGGIZ-UHFFFAOYSA-N 2 1 368.521 4.048 20 0 FIADMP CCC[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428233112 1092273467 /nfs/dbraw/zinc/27/34/67/1092273467.db2.gz XUCPJZLBVDKYIN-QPTUXGOLSA-N 2 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428233112 1092273474 /nfs/dbraw/zinc/27/34/74/1092273474.db2.gz XUCPJZLBVDKYIN-QPTUXGOLSA-N 3 1 369.597 4.141 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000428233112 1092273481 /nfs/dbraw/zinc/27/34/81/1092273481.db2.gz XUCPJZLBVDKYIN-QPTUXGOLSA-N 3 1 369.597 4.141 20 0 FIADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000512431983 1092313038 /nfs/dbraw/zinc/31/30/38/1092313038.db2.gz CJAWHIRDDDLSLY-AVRDEDQJSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@H]1C[C@@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000512431983 1092313052 /nfs/dbraw/zinc/31/30/52/1092313052.db2.gz CJAWHIRDDDLSLY-AVRDEDQJSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@H]1C[C@@H](N(C)CCC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000512431983 1092313070 /nfs/dbraw/zinc/31/30/70/1092313070.db2.gz CJAWHIRDDDLSLY-AVRDEDQJSA-N 2 1 368.496 4.383 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011986 1092313850 /nfs/dbraw/zinc/31/38/50/1092313850.db2.gz USULPXHOVNEIBZ-JHDGKUDLSA-N 2 1 374.532 4.404 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000432790273 1092381304 /nfs/dbraw/zinc/38/13/04/1092381304.db2.gz BOQAXJTYNGSEFG-OAQYLSRUSA-N 2 1 368.569 4.145 20 0 FIADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000432790273 1092381309 /nfs/dbraw/zinc/38/13/09/1092381309.db2.gz BOQAXJTYNGSEFG-OAQYLSRUSA-N 2 1 368.569 4.145 20 0 FIADMP Cc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000432801826 1092423446 /nfs/dbraw/zinc/42/34/46/1092423446.db2.gz XYKJUUXLBCGONU-QFIPXVFZSA-N 2 1 367.537 4.194 20 0 FIADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000432801826 1092423454 /nfs/dbraw/zinc/42/34/54/1092423454.db2.gz XYKJUUXLBCGONU-QFIPXVFZSA-N 2 1 367.537 4.194 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534060193 1092747104 /nfs/dbraw/zinc/74/71/04/1092747104.db2.gz QFZFPVITGBEDQY-INIZCTEOSA-N 2 1 357.723 4.164 20 0 FIADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776138 1092756918 /nfs/dbraw/zinc/75/69/18/1092756918.db2.gz GUAMTOXNGFHNER-DLBZAZTESA-N 2 1 365.546 4.198 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)c1 ZINC000442776138 1092756925 /nfs/dbraw/zinc/75/69/25/1092756925.db2.gz GUAMTOXNGFHNER-DLBZAZTESA-N 2 1 365.546 4.198 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794926 1092770720 /nfs/dbraw/zinc/77/07/20/1092770720.db2.gz SRLWHKPITAVWFB-SFGWALBWSA-N 2 1 359.517 4.135 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442794926 1092770725 /nfs/dbraw/zinc/77/07/25/1092770725.db2.gz SRLWHKPITAVWFB-SFGWALBWSA-N 2 1 359.517 4.135 20 0 FIADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1(C)C ZINC000442872950 1092820152 /nfs/dbraw/zinc/82/01/52/1092820152.db2.gz OGQYYCMMMGIAPL-HXUWFJFHSA-N 2 1 357.542 4.136 20 0 FIADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168014546 1092844732 /nfs/dbraw/zinc/84/47/32/1092844732.db2.gz LUQXEEUIQWKFOH-HATOLVCRSA-N 2 1 352.522 4.269 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000443198530 1092987757 /nfs/dbraw/zinc/98/77/57/1092987757.db2.gz RJPIYBMVUNZNCI-BZNRXQDOSA-N 2 1 366.480 4.150 20 0 FIADMP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000443198530 1092987761 /nfs/dbraw/zinc/98/77/61/1092987761.db2.gz RJPIYBMVUNZNCI-BZNRXQDOSA-N 2 1 366.480 4.150 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512630989 1093037374 /nfs/dbraw/zinc/03/73/74/1093037374.db2.gz OZIITJAICSWKRU-IOMROCGXSA-N 2 1 355.913 4.125 20 0 FIADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512630989 1093037385 /nfs/dbraw/zinc/03/73/85/1093037385.db2.gz OZIITJAICSWKRU-IOMROCGXSA-N 2 1 355.913 4.125 20 0 FIADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512634893 1093050984 /nfs/dbraw/zinc/05/09/84/1093050984.db2.gz FSQFWOPKHYGXKU-YPIGPJMWSA-N 2 1 370.581 4.066 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000512646707 1093067852 /nfs/dbraw/zinc/06/78/52/1093067852.db2.gz CMDHHHLYKSADDA-PWRODBHTSA-N 2 1 367.562 4.194 20 0 FIADMP CSc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000512646708 1093068568 /nfs/dbraw/zinc/06/85/68/1093068568.db2.gz CMDHHHLYKSADDA-QHAWAJNXSA-N 2 1 367.562 4.194 20 0 FIADMP Fc1ccc2[nH]cc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000008731139 1093076308 /nfs/dbraw/zinc/07/63/08/1093076308.db2.gz GGXJDPRYGNMKQM-UHFFFAOYSA-N 2 1 351.469 4.104 20 0 FIADMP C[C@H](CC[N@H+]1CCC[C@]2(CCSC2)C1)[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000451963983 1093161703 /nfs/dbraw/zinc/16/17/03/1093161703.db2.gz IJUJKIBKINCSLS-HSALFYBXSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@]2(CCSC2)C1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963983 1093161706 /nfs/dbraw/zinc/16/17/06/1093161706.db2.gz IJUJKIBKINCSLS-HSALFYBXSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@H](CC[NH+]1CCC[C@]2(CCSC2)C1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963983 1093161712 /nfs/dbraw/zinc/16/17/12/1093161712.db2.gz IJUJKIBKINCSLS-HSALFYBXSA-N 2 1 368.656 4.203 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000474064656 1093177254 /nfs/dbraw/zinc/17/72/54/1093177254.db2.gz JQBXJZZURVAXPW-OOWPADAASA-N 2 1 356.554 4.224 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000474064656 1093177256 /nfs/dbraw/zinc/17/72/56/1093177256.db2.gz JQBXJZZURVAXPW-OOWPADAASA-N 2 1 356.554 4.224 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1 ZINC000152243302 1093221249 /nfs/dbraw/zinc/22/12/49/1093221249.db2.gz FAFIDWFNZFRRLY-QGZVFWFLSA-N 2 1 357.461 4.217 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000474085414 1093235027 /nfs/dbraw/zinc/23/50/27/1093235027.db2.gz WAOSMRYTOFQWOG-STZQEDGTSA-N 2 1 350.506 4.319 20 0 FIADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000474085414 1093235032 /nfs/dbraw/zinc/23/50/32/1093235032.db2.gz WAOSMRYTOFQWOG-STZQEDGTSA-N 2 1 350.506 4.319 20 0 FIADMP CCC[N@H+](Cc1nc(C)sc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000443581377 1093291156 /nfs/dbraw/zinc/29/11/56/1093291156.db2.gz LOIVFFHQIJZLPA-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP CCC[N@@H+](Cc1nc(C)sc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000443581377 1093291165 /nfs/dbraw/zinc/29/11/65/1093291165.db2.gz LOIVFFHQIJZLPA-UHFFFAOYSA-N 2 1 373.570 4.048 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411438448 1093308859 /nfs/dbraw/zinc/30/88/59/1093308859.db2.gz KINXOBJCCXXAJQ-FQEVSTJZSA-N 2 1 371.569 4.057 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000512803922 1093372212 /nfs/dbraw/zinc/37/22/12/1093372212.db2.gz DYRYUKBEXZCHQP-UHFFFAOYSA-N 2 1 360.933 4.108 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000389141373 1093454510 /nfs/dbraw/zinc/45/45/10/1093454510.db2.gz VHIMAEBOXPJVON-SQGPQFPESA-N 2 1 356.485 4.396 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168028059 1093529752 /nfs/dbraw/zinc/52/97/52/1093529752.db2.gz ODKYILOMBLEUOK-XWSHUIEDSA-N 3 1 359.602 4.419 20 0 FIADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168028059 1093529754 /nfs/dbraw/zinc/52/97/54/1093529754.db2.gz ODKYILOMBLEUOK-XWSHUIEDSA-N 2 1 359.602 4.419 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC001168028641 1093539493 /nfs/dbraw/zinc/53/94/93/1093539493.db2.gz POOWSMOBZIQGFB-XEMDLRDOSA-N 2 1 356.485 4.366 20 0 FIADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC001168028641 1093539496 /nfs/dbraw/zinc/53/94/96/1093539496.db2.gz POOWSMOBZIQGFB-XEMDLRDOSA-N 2 1 356.485 4.366 20 0 FIADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)nn(C)c1C ZINC000512979468 1093623893 /nfs/dbraw/zinc/62/38/93/1093623893.db2.gz CWTFBUVBEJPQBL-HBGVWJBISA-N 2 1 354.542 4.131 20 0 FIADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)nn(C)c1C ZINC000512979468 1093623908 /nfs/dbraw/zinc/62/39/08/1093623908.db2.gz CWTFBUVBEJPQBL-HBGVWJBISA-N 2 1 354.542 4.131 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032288 1093652615 /nfs/dbraw/zinc/65/26/15/1093652615.db2.gz HHHDHVJVLRNGLS-MXNKGDRCSA-N 2 1 357.586 4.138 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032288 1093652619 /nfs/dbraw/zinc/65/26/19/1093652619.db2.gz HHHDHVJVLRNGLS-MXNKGDRCSA-N 2 1 357.586 4.138 20 0 FIADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032288 1093652627 /nfs/dbraw/zinc/65/26/27/1093652627.db2.gz HHHDHVJVLRNGLS-MXNKGDRCSA-N 2 1 357.586 4.138 20 0 FIADMP Cc1ccc([C@@H](CO)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168031829 1093655610 /nfs/dbraw/zinc/65/56/10/1093655610.db2.gz COIGELRGHKBMJH-DNVFCKCGSA-N 2 1 352.522 4.060 20 0 FIADMP CCC(CC)[N@H+]1CC[C@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033368 1093713838 /nfs/dbraw/zinc/71/38/38/1093713838.db2.gz KRTQPGLOORYSOS-ZJOUEHCJSA-N 2 1 357.586 4.281 20 0 FIADMP CCC[N@H+]1CC[C@H](CNCc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000067222805 1093718817 /nfs/dbraw/zinc/71/88/17/1093718817.db2.gz ZVICVJOSTLCHSE-GOSISDBHSA-N 2 1 374.960 4.023 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000067222805 1093718826 /nfs/dbraw/zinc/71/88/26/1093718826.db2.gz ZVICVJOSTLCHSE-GOSISDBHSA-N 2 1 374.960 4.023 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000067222805 1093718830 /nfs/dbraw/zinc/71/88/30/1093718830.db2.gz ZVICVJOSTLCHSE-GOSISDBHSA-N 2 1 374.960 4.023 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000513065088 1093721798 /nfs/dbraw/zinc/72/17/98/1093721798.db2.gz QEVZVPSGFCNNOK-QFBILLFUSA-N 2 1 357.567 4.199 20 0 FIADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sc1C ZINC000513065088 1093721803 /nfs/dbraw/zinc/72/18/03/1093721803.db2.gz QEVZVPSGFCNNOK-QFBILLFUSA-N 2 1 357.567 4.199 20 0 FIADMP COc1cc([C@H](C)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001168033866 1093733251 /nfs/dbraw/zinc/73/32/51/1093733251.db2.gz MNTPWXOYTQTWQF-BZSNNMDCSA-N 2 1 353.510 4.182 20 0 FIADMP C[C@H]1CC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034084 1093738952 /nfs/dbraw/zinc/73/89/52/1093738952.db2.gz OHFUEWBGNDUZNT-JTAQYXEDSA-N 2 1 369.597 4.282 20 0 FIADMP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474427223 1093766440 /nfs/dbraw/zinc/76/64/40/1093766440.db2.gz NZLPDCIGSADLMA-INIZCTEOSA-N 2 1 356.341 4.036 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000052209139 1093767912 /nfs/dbraw/zinc/76/79/12/1093767912.db2.gz YQCSPOOALBKWTF-UHFFFAOYSA-N 2 1 359.489 4.425 20 0 FIADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078920 1093780794 /nfs/dbraw/zinc/78/07/94/1093780794.db2.gz XNNNSPANOYARGD-KSEOMHKRSA-N 2 1 369.553 4.305 20 0 FIADMP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000474465922 1093812207 /nfs/dbraw/zinc/81/22/07/1093812207.db2.gz ASTULRDXRMZKLA-IBGZPJMESA-N 2 1 351.538 4.344 20 0 FIADMP Clc1ccc2c(NCC3CC[NH+](C4CCOCC4)CC3)cc[nH+]c2c1 ZINC000664150076 1093816117 /nfs/dbraw/zinc/81/61/17/1093816117.db2.gz GVQSQLLYUCAYNG-UHFFFAOYSA-N 2 1 359.901 4.191 20 0 FIADMP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927644 1093830328 /nfs/dbraw/zinc/83/03/28/1093830328.db2.gz JRNXBRMZARMPBR-GOTSBHOMSA-N 2 1 354.538 4.029 20 0 FIADMP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC001167927644 1093830336 /nfs/dbraw/zinc/83/03/36/1093830336.db2.gz JRNXBRMZARMPBR-GOTSBHOMSA-N 2 1 354.538 4.029 20 0 FIADMP C[N@@H+](CC/C=C/c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513152691 1093911861 /nfs/dbraw/zinc/91/18/61/1093911861.db2.gz FWZRJXUJHCFINO-LWFHPDCVSA-N 2 1 363.343 4.409 20 0 FIADMP C[NH+](CC/C=C/c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513152691 1093911862 /nfs/dbraw/zinc/91/18/62/1093911862.db2.gz FWZRJXUJHCFINO-LWFHPDCVSA-N 2 1 363.343 4.409 20 0 FIADMP C[NH+](CC/C=C/c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513152691 1093911864 /nfs/dbraw/zinc/91/18/64/1093911864.db2.gz FWZRJXUJHCFINO-LWFHPDCVSA-N 2 1 363.343 4.409 20 0 FIADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000513344279 1094077588 /nfs/dbraw/zinc/07/75/88/1094077588.db2.gz ZAPUNBJTCJVFAK-LAUBAEHRSA-N 2 1 356.460 4.106 20 0 FIADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000513344279 1094077594 /nfs/dbraw/zinc/07/75/94/1094077594.db2.gz ZAPUNBJTCJVFAK-LAUBAEHRSA-N 2 1 356.460 4.106 20 0 FIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000509928036 1094190171 /nfs/dbraw/zinc/19/01/71/1094190171.db2.gz QGFCJRGFOKBPFB-QGZVFWFLSA-N 2 1 359.539 4.428 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000513523829 1094196768 /nfs/dbraw/zinc/19/67/68/1094196768.db2.gz CLJKSDUQFJVJGA-UGKGYDQZSA-N 2 1 352.526 4.005 20 0 FIADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000513526138 1094197504 /nfs/dbraw/zinc/19/75/04/1094197504.db2.gz NERJSXAQMBKYBI-FQEVSTJZSA-N 2 1 374.475 4.463 20 0 FIADMP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH]nc2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000513544600 1094205862 /nfs/dbraw/zinc/20/58/62/1094205862.db2.gz KGZMOPXIEYPHOE-HKUYNNGSSA-N 2 1 354.542 4.098 20 0 FIADMP COc1ccc(OC)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000513544616 1094206020 /nfs/dbraw/zinc/20/60/20/1094206020.db2.gz KKUNSNOPXMVSRL-AZUAARDMSA-N 2 1 368.521 4.094 20 0 FIADMP C[C@H]1CC([NH2+]Cc2cncn2CC2CCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036932 1094318414 /nfs/dbraw/zinc/31/84/14/1094318414.db2.gz WDWZIEFSEJGMFG-OALUTQOASA-N 2 1 366.553 4.214 20 0 FIADMP C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501063678 1094474624 /nfs/dbraw/zinc/47/46/24/1094474624.db2.gz KLXLFZAEKUTMLE-FXAWDEMLSA-N 2 1 372.553 4.385 20 0 FIADMP COC1CC[NH+](C2(C[NH2+]C[C@H](c3ccccc3)C(C)C)CCCC2)CC1 ZINC000474799031 1094616975 /nfs/dbraw/zinc/61/69/75/1094616975.db2.gz NEBVXNDUQNWVNM-QFIPXVFZSA-N 2 1 358.570 4.439 20 0 FIADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](F)C(F)(F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041853 1094635101 /nfs/dbraw/zinc/63/51/01/1094635101.db2.gz WMYXXUDTHZCIJV-NBMJBFSESA-N 2 1 354.460 4.497 20 0 FIADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](F)C(F)(F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041853 1094635113 /nfs/dbraw/zinc/63/51/13/1094635113.db2.gz WMYXXUDTHZCIJV-NBMJBFSESA-N 2 1 354.460 4.497 20 0 FIADMP Fc1ccc(C(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404009 1094697193 /nfs/dbraw/zinc/69/71/93/1094697193.db2.gz FDRAPBHRRPYMRL-SFTDATJTSA-N 2 1 356.460 4.313 20 0 FIADMP Cc1ccc(CCC[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000474881340 1094843554 /nfs/dbraw/zinc/84/35/54/1094843554.db2.gz VWQQKVARSJIZRM-NFBKMPQASA-N 2 1 351.538 4.213 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000420299836 1094868623 /nfs/dbraw/zinc/86/86/23/1094868623.db2.gz JNGLETVLAVWJLZ-HOCLYGCPSA-N 2 1 355.507 4.040 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000420299836 1094868639 /nfs/dbraw/zinc/86/86/39/1094868639.db2.gz JNGLETVLAVWJLZ-HOCLYGCPSA-N 2 1 355.507 4.040 20 0 FIADMP Fc1cccc(F)c1-c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420337010 1094883025 /nfs/dbraw/zinc/88/30/25/1094883025.db2.gz MZCYGAIMXRMHPI-MRXNPFEDSA-N 2 1 363.477 4.052 20 0 FIADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000420375822 1094912647 /nfs/dbraw/zinc/91/26/47/1094912647.db2.gz PTMOYOUFJJZWOH-MAUKXSAKSA-N 2 1 370.390 4.160 20 0 FIADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000501787685 1094924564 /nfs/dbraw/zinc/92/45/64/1094924564.db2.gz ZTFMCIKIPBJZEP-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000501787685 1094924565 /nfs/dbraw/zinc/92/45/65/1094924565.db2.gz ZTFMCIKIPBJZEP-UHFFFAOYSA-N 2 1 367.603 4.011 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000501902123 1094995436 /nfs/dbraw/zinc/99/54/36/1094995436.db2.gz WPTPNJSLDPDFJU-OAQYLSRUSA-N 2 1 363.977 4.283 20 0 FIADMP Cc1[nH+]c2ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)cc2n1C(C)C ZINC001167944127 1095001330 /nfs/dbraw/zinc/00/13/30/1095001330.db2.gz YOPBEWQWGFNHKK-SFHVURJKSA-N 2 1 374.529 4.177 20 0 FIADMP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000428305912 1095009141 /nfs/dbraw/zinc/00/91/41/1095009141.db2.gz MZRQYDGJEZXDOQ-UHFFFAOYSA-N 2 1 351.494 4.033 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000502279873 1095299082 /nfs/dbraw/zinc/29/90/82/1095299082.db2.gz FRMJMRAICJBJIV-KNQAVFIVSA-N 2 1 356.554 4.357 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000502319913 1095343804 /nfs/dbraw/zinc/34/38/04/1095343804.db2.gz SPAWKPIZAOKGPD-QGZVFWFLSA-N 2 1 354.460 4.248 20 0 FIADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000237169264 1095377384 /nfs/dbraw/zinc/37/73/84/1095377384.db2.gz ZIVIGKCFLTYFFJ-UHFFFAOYSA-N 2 1 365.340 4.361 20 0 FIADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502328212 1095384237 /nfs/dbraw/zinc/38/42/37/1095384237.db2.gz UTBQPRQLGCMTTN-LJQANCHMSA-N 2 1 353.510 4.386 20 0 FIADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000502411456 1095436240 /nfs/dbraw/zinc/43/62/40/1095436240.db2.gz ARZRCCFKBGUYFD-CEMLEFRQSA-N 2 1 356.554 4.226 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458548 1095487655 /nfs/dbraw/zinc/48/76/55/1095487655.db2.gz CXQQBSQIXWNWTF-ICSRJNTNSA-N 2 1 352.526 4.171 20 0 FIADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318664 1095533148 /nfs/dbraw/zinc/53/31/48/1095533148.db2.gz HADWVTRSDGVYRX-IBGZPJMESA-N 2 1 366.553 4.439 20 0 FIADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318664 1095533164 /nfs/dbraw/zinc/53/31/64/1095533164.db2.gz HADWVTRSDGVYRX-IBGZPJMESA-N 2 1 366.553 4.439 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318664 1095533176 /nfs/dbraw/zinc/53/31/76/1095533176.db2.gz HADWVTRSDGVYRX-IBGZPJMESA-N 2 1 366.553 4.439 20 0 FIADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421318664 1095533189 /nfs/dbraw/zinc/53/31/89/1095533189.db2.gz HADWVTRSDGVYRX-IBGZPJMESA-N 2 1 366.553 4.439 20 0 FIADMP COC1(C[C@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCC1 ZINC000760016567 1095724600 /nfs/dbraw/zinc/72/46/00/1095724600.db2.gz PDRYORJXGMEMPR-SFHVURJKSA-N 2 1 359.558 4.224 20 0 FIADMP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000444166189 1095794117 /nfs/dbraw/zinc/79/41/17/1095794117.db2.gz ISZRUJCOCPXNRI-HNNXBMFYSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000444166189 1095794131 /nfs/dbraw/zinc/79/41/31/1095794131.db2.gz ISZRUJCOCPXNRI-HNNXBMFYSA-N 2 1 372.340 4.128 20 0 FIADMP C[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000444166189 1095794140 /nfs/dbraw/zinc/79/41/40/1095794140.db2.gz ISZRUJCOCPXNRI-HNNXBMFYSA-N 2 1 372.340 4.128 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccsc2S1 ZINC000272774858 1096211248 /nfs/dbraw/zinc/21/12/48/1096211248.db2.gz UETWOXFXJOGREN-POZUXBRTSA-N 2 1 374.575 4.030 20 0 FIADMP Clc1ccccc1OCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503434925 1096398727 /nfs/dbraw/zinc/39/87/27/1096398727.db2.gz LJCZSRRGYUUNSW-INIZCTEOSA-N 2 1 359.901 4.131 20 0 FIADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422698032 1096454904 /nfs/dbraw/zinc/45/49/04/1096454904.db2.gz XHRHYODOBHRUDG-ZWKOTPCHSA-N 2 1 355.482 4.022 20 0 FIADMP CC(C)(C)[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000503541537 1096456156 /nfs/dbraw/zinc/45/61/56/1096456156.db2.gz KHPBCPSNZFKRQX-UHFFFAOYSA-N 2 1 362.315 4.094 20 0 FIADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422866313 1096508116 /nfs/dbraw/zinc/50/81/16/1096508116.db2.gz QDRSNFAQKSRLDH-QHAWAJNXSA-N 2 1 369.484 4.413 20 0 FIADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OCCCC(C)C)c1 ZINC000422875158 1096518579 /nfs/dbraw/zinc/51/85/79/1096518579.db2.gz OLKHQDDAOXDNME-BHIFYINESA-N 2 1 374.569 4.057 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)cs1 ZINC000422913433 1096522031 /nfs/dbraw/zinc/52/20/31/1096522031.db2.gz QCLDEWOVLMAQKH-XOYOTBSWSA-N 2 1 356.539 4.167 20 0 FIADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414708124 1096536423 /nfs/dbraw/zinc/53/64/23/1096536423.db2.gz ILYKBNOUTQSALM-FQEVSTJZSA-N 2 1 374.573 4.288 20 0 FIADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000422959311 1096538622 /nfs/dbraw/zinc/53/86/22/1096538622.db2.gz RLVPKSRIEXNQEQ-DZGCQCFKSA-N 2 1 352.507 4.384 20 0 FIADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422990330 1096540575 /nfs/dbraw/zinc/54/05/75/1096540575.db2.gz BQXSUENXLMXBDJ-GOTSBHOMSA-N 2 1 361.489 4.146 20 0 FIADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423020006 1096552074 /nfs/dbraw/zinc/55/20/74/1096552074.db2.gz YFSTUJDAIZHCMN-MHTWAQMVSA-N 2 1 356.897 4.253 20 0 FIADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000503855338 1096567480 /nfs/dbraw/zinc/56/74/80/1096567480.db2.gz CZFCJZQYJOJPAS-GDAAHCPNSA-N 2 1 352.469 4.180 20 0 FIADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000503855338 1096567486 /nfs/dbraw/zinc/56/74/86/1096567486.db2.gz CZFCJZQYJOJPAS-GDAAHCPNSA-N 2 1 352.469 4.180 20 0 FIADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1F ZINC000423112688 1096585758 /nfs/dbraw/zinc/58/57/58/1096585758.db2.gz JZRZVCWJWGNFQO-IWFBPKFRSA-N 2 1 354.469 4.163 20 0 FIADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1F ZINC000423112690 1096586036 /nfs/dbraw/zinc/58/60/36/1096586036.db2.gz JZRZVCWJWGNFQO-XCJLJZCSSA-N 2 1 354.469 4.163 20 0 FIADMP CCOc1cccc2cc([C@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc21 ZINC000423185111 1096596844 /nfs/dbraw/zinc/59/68/44/1096596844.db2.gz JCWWZBNRLLNREF-INIZCTEOSA-N 2 1 353.466 4.057 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180988 1096606732 /nfs/dbraw/zinc/60/67/32/1096606732.db2.gz BRKDLALWTPEHOZ-KDOFPFPSSA-N 2 1 374.326 4.162 20 0 FIADMP COc1ccccc1[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423190852 1096612375 /nfs/dbraw/zinc/61/23/75/1096612375.db2.gz RSYRZFNJPMPYAD-JOCHJYFZSA-N 2 1 353.510 4.091 20 0 FIADMP Brc1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423191838 1096613303 /nfs/dbraw/zinc/61/33/03/1096613303.db2.gz UGWCOLBDRXKXHS-IBGZPJMESA-N 2 1 374.326 4.065 20 0 FIADMP Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1ccc(Cl)cc1 ZINC000423296004 1096644499 /nfs/dbraw/zinc/64/44/99/1096644499.db2.gz YESRGHQIJIRFGM-ZIAGYGMSSA-N 2 1 369.900 4.100 20 0 FIADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000423358204 1096656156 /nfs/dbraw/zinc/65/61/56/1096656156.db2.gz BKFLMFSLUBOJFE-BCSOYYNPSA-N 2 1 371.475 4.121 20 0 FIADMP COc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423369535 1096658106 /nfs/dbraw/zinc/65/81/06/1096658106.db2.gz FBBLETRNLDIKTF-QYWGDWMGSA-N 2 1 374.912 4.306 20 0 FIADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423506989 1096702145 /nfs/dbraw/zinc/70/21/45/1096702145.db2.gz JFWPHBDSZAOXDD-HYBUGGRVSA-N 2 1 365.565 4.152 20 0 FIADMP CCc1ccccc1[C@@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423495039 1096706394 /nfs/dbraw/zinc/70/63/94/1096706394.db2.gz BLIWTZSOCJKAGQ-KHUIQGCPSA-N 2 1 363.549 4.034 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000423527858 1096714195 /nfs/dbraw/zinc/71/41/95/1096714195.db2.gz WEGPZMFBHAJIEA-BBRMVZONSA-N 2 1 350.915 4.098 20 0 FIADMP CC(C)N(C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000515518346 1098656652 /nfs/dbraw/zinc/65/66/52/1098656652.db2.gz GBVMETATKKGWLA-VQTJNVASSA-N 2 1 373.585 4.042 20 0 FIADMP CCC[N@H+](Cc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533057680 1098725173 /nfs/dbraw/zinc/72/51/73/1098725173.db2.gz RMNUAIGAOUSXST-UHFFFAOYSA-N 2 1 352.526 4.283 20 0 FIADMP CCC[N@@H+](Cc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533057680 1098725190 /nfs/dbraw/zinc/72/51/90/1098725190.db2.gz RMNUAIGAOUSXST-UHFFFAOYSA-N 2 1 352.526 4.283 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080373 1098749631 /nfs/dbraw/zinc/74/96/31/1098749631.db2.gz MHLXUNYNFUTFKB-KJXAQDMKSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1Oc1ccccc1 ZINC000533080373 1098749641 /nfs/dbraw/zinc/74/96/41/1098749641.db2.gz MHLXUNYNFUTFKB-KJXAQDMKSA-N 2 1 366.505 4.162 20 0 FIADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000515670112 1098812491 /nfs/dbraw/zinc/81/24/91/1098812491.db2.gz IHQGPCUYXSDZHI-UHFFFAOYSA-N 2 1 364.942 4.005 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000533271798 1098922834 /nfs/dbraw/zinc/92/28/34/1098922834.db2.gz ZPTNQFWUZVFGCH-SFHVURJKSA-N 2 1 367.537 4.219 20 0 FIADMP C[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436403975 1098992782 /nfs/dbraw/zinc/99/27/82/1098992782.db2.gz AUWJAMPAECOLIU-FUHWJXTLSA-N 2 1 351.469 4.307 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000533444652 1099069322 /nfs/dbraw/zinc/06/93/22/1099069322.db2.gz GSAKJBUNONXJOS-NRFANRHFSA-N 2 1 367.537 4.118 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000533444652 1099069336 /nfs/dbraw/zinc/06/93/36/1099069336.db2.gz GSAKJBUNONXJOS-NRFANRHFSA-N 2 1 367.537 4.118 20 0 FIADMP COc1cccc(CCC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000533517121 1099121055 /nfs/dbraw/zinc/12/10/55/1099121055.db2.gz ABTXGISSVJIAKK-UHFFFAOYSA-N 2 1 352.522 4.224 20 0 FIADMP COc1cccc(CCC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000533517121 1099121060 /nfs/dbraw/zinc/12/10/60/1099121060.db2.gz ABTXGISSVJIAKK-UHFFFAOYSA-N 2 1 352.522 4.224 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219088 1099273837 /nfs/dbraw/zinc/27/38/37/1099273837.db2.gz RHGZGBZEBDNFDO-HTAPYJJXSA-N 2 1 368.521 4.352 20 0 FIADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1O ZINC000516219088 1099273846 /nfs/dbraw/zinc/27/38/46/1099273846.db2.gz RHGZGBZEBDNFDO-HTAPYJJXSA-N 2 1 368.521 4.352 20 0 FIADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505925547 1099506992 /nfs/dbraw/zinc/50/69/92/1099506992.db2.gz USIZCAVTWHOTKN-RTWAWAEBSA-N 2 1 365.606 4.002 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4ccccc43)CC2)cs1 ZINC000161773756 1099535132 /nfs/dbraw/zinc/53/51/32/1099535132.db2.gz AMYKSLDFIHHILP-FQEVSTJZSA-N 2 1 355.551 4.195 20 0 FIADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000261819378 1099663109 /nfs/dbraw/zinc/66/31/09/1099663109.db2.gz IGLPLYUUDSWSCN-UHFFFAOYSA-N 2 1 359.311 4.300 20 0 FIADMP CCC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(OC)cc1 ZINC000162233189 1099664946 /nfs/dbraw/zinc/66/49/46/1099664946.db2.gz FIJLUQMOBQBGTC-NRFANRHFSA-N 2 1 368.525 4.202 20 0 FIADMP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000261893964 1099673756 /nfs/dbraw/zinc/67/37/56/1099673756.db2.gz VUWUMQXEJIKHTN-OAQYLSRUSA-N 2 1 374.912 4.098 20 0 FIADMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OCc1ccc(Cl)cc1 ZINC000261893964 1099673761 /nfs/dbraw/zinc/67/37/61/1099673761.db2.gz VUWUMQXEJIKHTN-OAQYLSRUSA-N 2 1 374.912 4.098 20 0 FIADMP Cc1ccsc1C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506009502 1099757706 /nfs/dbraw/zinc/75/77/06/1099757706.db2.gz KBTPPSSSUMQUAQ-UHFFFAOYSA-N 2 1 357.567 4.219 20 0 FIADMP CC[N@@H+](CCc1cccs1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000508691224 1099825037 /nfs/dbraw/zinc/82/50/37/1099825037.db2.gz WRTLNXGINCMKNK-UHFFFAOYSA-N 2 1 371.594 4.343 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1COc2ccccc21 ZINC000508695411 1099827305 /nfs/dbraw/zinc/82/73/05/1099827305.db2.gz FKIRDUFWWYDLQR-GXKRZCMTSA-N 2 1 350.506 4.051 20 0 FIADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699235 1099834292 /nfs/dbraw/zinc/83/42/92/1099834292.db2.gz NRMSSHLNPVEMOW-IRLDBZIGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H](NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699235 1099834304 /nfs/dbraw/zinc/83/43/04/1099834304.db2.gz NRMSSHLNPVEMOW-IRLDBZIGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H](NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699235 1099834314 /nfs/dbraw/zinc/83/43/14/1099834314.db2.gz NRMSSHLNPVEMOW-IRLDBZIGSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699235 1099834323 /nfs/dbraw/zinc/83/43/23/1099834323.db2.gz NRMSSHLNPVEMOW-IRLDBZIGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699235 1099834333 /nfs/dbraw/zinc/83/43/33/1099834333.db2.gz NRMSSHLNPVEMOW-IRLDBZIGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699235 1099834342 /nfs/dbraw/zinc/83/43/42/1099834342.db2.gz NRMSSHLNPVEMOW-IRLDBZIGSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]([NH2+]CCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699235 1099834353 /nfs/dbraw/zinc/83/43/53/1099834353.db2.gz NRMSSHLNPVEMOW-IRLDBZIGSA-N 3 1 357.586 4.141 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895494 /nfs/dbraw/zinc/89/54/94/1099895494.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895501 /nfs/dbraw/zinc/89/55/01/1099895501.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895510 /nfs/dbraw/zinc/89/55/10/1099895510.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895516 /nfs/dbraw/zinc/89/55/16/1099895516.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 2 1 369.597 4.141 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000516866862 1099895525 /nfs/dbraw/zinc/89/55/25/1099895525.db2.gz UZUMPINZNKEABM-GOTSBHOMSA-N 2 1 369.597 4.141 20 0 FIADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508711061 1099902940 /nfs/dbraw/zinc/90/29/40/1099902940.db2.gz OBHACPIRMGCZSK-IPJJNNNSSA-N 2 1 352.522 4.126 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508713228 1099904119 /nfs/dbraw/zinc/90/41/19/1099904119.db2.gz SNXXPCITWGCKPE-UGKGYDQZSA-N 2 1 352.522 4.128 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(C)c3C)CC2)oc1C ZINC000162732860 1099976787 /nfs/dbraw/zinc/97/67/87/1099976787.db2.gz LPMZNFICEBOPJK-SFHVURJKSA-N 2 1 355.526 4.471 20 0 FIADMP C[C@H](Nc1ccc(N2CCCC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516998733 1099978095 /nfs/dbraw/zinc/97/80/95/1099978095.db2.gz XLSLOKSOUMTZRS-AZUAARDMSA-N 2 1 350.510 4.004 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4ccccc4C[C@H]3C)CC2)oc1C ZINC000162744453 1099980885 /nfs/dbraw/zinc/98/08/85/1099980885.db2.gz LQRKXWDPPGQELL-IVZQSRNASA-N 2 1 353.510 4.027 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4ccc(C)cc43)CC2)oc1C ZINC000162767768 1099996324 /nfs/dbraw/zinc/99/63/24/1099996324.db2.gz FTJJQAIDBMHFSS-OAQYLSRUSA-N 2 1 353.510 4.089 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3c4cc(F)ccc4C[C@H]3C)CC2)oc1C ZINC000162797416 1100005557 /nfs/dbraw/zinc/00/55/57/1100005557.db2.gz JJFYXHRCOWOTCH-JLCFBVMHSA-N 2 1 371.500 4.166 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459397569 1100123643 /nfs/dbraw/zinc/12/36/43/1100123643.db2.gz WURXRCDRIDNVEY-RTWAWAEBSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459397569 1100123652 /nfs/dbraw/zinc/12/36/52/1100123652.db2.gz WURXRCDRIDNVEY-RTWAWAEBSA-N 2 1 350.506 4.387 20 0 FIADMP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459397569 1100123654 /nfs/dbraw/zinc/12/36/54/1100123654.db2.gz WURXRCDRIDNVEY-RTWAWAEBSA-N 2 1 350.506 4.387 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000536661304 1100129017 /nfs/dbraw/zinc/12/90/17/1100129017.db2.gz RBEZTAREVTWCAQ-OAQYLSRUSA-N 2 1 366.553 4.446 20 0 FIADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000536661304 1100129021 /nfs/dbraw/zinc/12/90/21/1100129021.db2.gz RBEZTAREVTWCAQ-OAQYLSRUSA-N 2 1 366.553 4.446 20 0 FIADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665609 1100138763 /nfs/dbraw/zinc/13/87/63/1100138763.db2.gz UBTGQVCAOVYEQB-GCJKJVERSA-N 2 1 373.585 4.031 20 0 FIADMP Cc1nc2ccccn2c1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000536674912 1100162822 /nfs/dbraw/zinc/16/28/22/1100162822.db2.gz HQKUICGGOBESHS-DEOSSOPVSA-N 2 1 374.532 4.131 20 0 FIADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459437968 1100192237 /nfs/dbraw/zinc/19/22/37/1100192237.db2.gz ZTYHTPVGJWIEHD-CWJKEVGVSA-N 2 1 362.583 4.035 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425911987 1100231757 /nfs/dbraw/zinc/23/17/57/1100231757.db2.gz CTWAKFUBJSKWHD-NRFANRHFSA-N 2 1 357.929 4.483 20 0 FIADMP C[C@H]1C[C@@H](NCc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631070 1100243743 /nfs/dbraw/zinc/24/37/43/1100243743.db2.gz QYEMOVKZDNYGFE-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccccc1 ZINC000379631070 1100243749 /nfs/dbraw/zinc/24/37/49/1100243749.db2.gz QYEMOVKZDNYGFE-UGKGYDQZSA-N 2 1 360.505 4.015 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425921550 1100257662 /nfs/dbraw/zinc/25/76/62/1100257662.db2.gz QYNUPJSMLRWFOF-KRWDZBQOSA-N 2 1 366.278 4.224 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641991 1100263922 /nfs/dbraw/zinc/26/39/22/1100263922.db2.gz DQRXOHMWIOJNEL-KPDCDPCYSA-N 2 1 350.506 4.325 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641991 1100263931 /nfs/dbraw/zinc/26/39/31/1100263931.db2.gz DQRXOHMWIOJNEL-KPDCDPCYSA-N 2 1 350.506 4.325 20 0 FIADMP Clc1cc2[nH]cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c2c(Cl)c1 ZINC000459532631 1100281443 /nfs/dbraw/zinc/28/14/43/1100281443.db2.gz VBQVJVQBDLYOQC-UHFFFAOYSA-N 2 1 352.309 4.234 20 0 FIADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000425929492 1100291839 /nfs/dbraw/zinc/29/18/39/1100291839.db2.gz MIDIHIMVEJJXTH-QFIPXVFZSA-N 2 1 369.940 4.483 20 0 FIADMP CC(C)(C)C1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000459583168 1100308853 /nfs/dbraw/zinc/30/88/53/1100308853.db2.gz FMZAEYSWYMYXRU-ATKRNPRHSA-N 2 1 370.581 4.330 20 0 FIADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000536847752 1100358975 /nfs/dbraw/zinc/35/89/75/1100358975.db2.gz WSZGXAUKEDUZDY-AUSIDOKSSA-N 2 1 374.532 4.181 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000536853094 1100367736 /nfs/dbraw/zinc/36/77/36/1100367736.db2.gz PRBDNBAURUGOMJ-XLIONFOSSA-N 2 1 364.961 4.098 20 0 FIADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000536832174 1100370425 /nfs/dbraw/zinc/37/04/25/1100370425.db2.gz JGGQCENSMBVFIJ-LEWJYISDSA-N 2 1 362.533 4.016 20 0 FIADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536856342 1100371178 /nfs/dbraw/zinc/37/11/78/1100371178.db2.gz FBMUOYAUHUYHBN-YESZJQIVSA-N 2 1 372.475 4.115 20 0 FIADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000536855177 1100371427 /nfs/dbraw/zinc/37/14/27/1100371427.db2.gz ZMQGPBWLBNFYJO-FASAQXTFSA-N 2 1 371.352 4.412 20 0 FIADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000536862558 1100379936 /nfs/dbraw/zinc/37/99/36/1100379936.db2.gz IZGRBHLNIUDNIV-KRWDZBQOSA-N 2 1 355.295 4.038 20 0 FIADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(Br)c1 ZINC000536866402 1100383567 /nfs/dbraw/zinc/38/35/67/1100383567.db2.gz ZWMSMGUAQSTSAN-CXAGYDPISA-N 2 1 350.304 4.331 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1 ZINC000536878373 1100400187 /nfs/dbraw/zinc/40/01/87/1100400187.db2.gz ONZPALXRBAXIDW-JLHGSKIFSA-N 2 1 374.488 4.025 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)[C@H](C)C1 ZINC000438189447 1100501333 /nfs/dbraw/zinc/50/13/33/1100501333.db2.gz KPGMLAPJYHKYJU-LGKPFJOYSA-N 2 1 358.570 4.223 20 0 FIADMP CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414949766 1100906735 /nfs/dbraw/zinc/90/67/35/1100906735.db2.gz FOGHQZHONFDHSO-IUODEOHRSA-N 2 1 357.361 4.037 20 0 FIADMP CN(c1ccccc1C[N@H+](C)Cc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000506353560 1100910729 /nfs/dbraw/zinc/91/07/29/1100910729.db2.gz QHBIKMDWTNIALQ-UHFFFAOYSA-N 2 1 373.491 4.127 20 0 FIADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000506353560 1100910730 /nfs/dbraw/zinc/91/07/30/1100910730.db2.gz QHBIKMDWTNIALQ-UHFFFAOYSA-N 2 1 373.491 4.127 20 0 FIADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152744 1100950901 /nfs/dbraw/zinc/95/09/01/1100950901.db2.gz WQSMCTMZHMTGGT-LPHOPBHVSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152744 1100950905 /nfs/dbraw/zinc/95/09/05/1100950905.db2.gz WQSMCTMZHMTGGT-LPHOPBHVSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152744 1100950907 /nfs/dbraw/zinc/95/09/07/1100950907.db2.gz WQSMCTMZHMTGGT-LPHOPBHVSA-N 2 1 374.550 4.108 20 0 FIADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1cccs1 ZINC000518152744 1100950908 /nfs/dbraw/zinc/95/09/08/1100950908.db2.gz WQSMCTMZHMTGGT-LPHOPBHVSA-N 2 1 374.550 4.108 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CCO)c2ccccc2)CC1 ZINC000438836485 1100955928 /nfs/dbraw/zinc/95/59/28/1100955928.db2.gz ZPMUUMNWTFJUIB-ZKMFCFPVSA-N 2 1 366.549 4.185 20 0 FIADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CCO)c2ccccc2)CC1 ZINC000438836482 1100956049 /nfs/dbraw/zinc/95/60/49/1100956049.db2.gz ZPMUUMNWTFJUIB-BOMBAVFCSA-N 2 1 366.549 4.185 20 0 FIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000518274765 1101057701 /nfs/dbraw/zinc/05/77/01/1101057701.db2.gz WKQRZWPCYCINKG-QFIPXVFZSA-N 2 1 352.522 4.476 20 0 FIADMP CC[NH+]1CCC([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426285910 1101182037 /nfs/dbraw/zinc/18/20/37/1101182037.db2.gz DMMVXMOXMLBLCB-QGZVFWFLSA-N 2 1 351.332 4.146 20 0 FIADMP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439146596 1101200445 /nfs/dbraw/zinc/20/04/45/1101200445.db2.gz NFMPGTJANRFGIW-MRXNPFEDSA-N 2 1 357.361 4.426 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426299246 1101226161 /nfs/dbraw/zinc/22/61/61/1101226161.db2.gz UDQCEXYBTLGVPF-PWRODBHTSA-N 2 1 367.537 4.326 20 0 FIADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426299246 1101226168 /nfs/dbraw/zinc/22/61/68/1101226168.db2.gz UDQCEXYBTLGVPF-PWRODBHTSA-N 2 1 367.537 4.326 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426326521 1101274058 /nfs/dbraw/zinc/27/40/58/1101274058.db2.gz ZMBIQJQTWKLOPJ-QHAWAJNXSA-N 2 1 367.537 4.326 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426326521 1101274063 /nfs/dbraw/zinc/27/40/63/1101274063.db2.gz ZMBIQJQTWKLOPJ-QHAWAJNXSA-N 2 1 367.537 4.326 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426326520 1101274525 /nfs/dbraw/zinc/27/45/25/1101274525.db2.gz ZMBIQJQTWKLOPJ-PWRODBHTSA-N 2 1 367.537 4.326 20 0 FIADMP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426326520 1101274530 /nfs/dbraw/zinc/27/45/30/1101274530.db2.gz ZMBIQJQTWKLOPJ-PWRODBHTSA-N 2 1 367.537 4.326 20 0 FIADMP C[C@@H]([NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000643458577 1101304641 /nfs/dbraw/zinc/30/46/41/1101304641.db2.gz GPQNAIOQIHGNBW-ZNSHCXBVSA-N 2 1 355.326 4.054 20 0 FIADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000536887253 1101305026 /nfs/dbraw/zinc/30/50/26/1101305026.db2.gz WMJGRGGIERIOAH-UHFFFAOYSA-N 2 1 351.416 4.480 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000426355034 1101351123 /nfs/dbraw/zinc/35/11/23/1101351123.db2.gz XKWGKCOEHUQONI-YZIUBNRHSA-N 2 1 370.562 4.251 20 0 FIADMP Clc1cccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000666090390 1101494829 /nfs/dbraw/zinc/49/48/29/1101494829.db2.gz ZLSAWBQARPMSES-QMMLZNLJSA-N 2 1 362.945 4.209 20 0 FIADMP Clc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000666090388 1101495396 /nfs/dbraw/zinc/49/53/96/1101495396.db2.gz ZLSAWBQARPMSES-DUXKGJEZSA-N 2 1 362.945 4.209 20 0 FIADMP C[C@H](Cc1ccc(Cl)cc1)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001168155300 1101591016 /nfs/dbraw/zinc/59/10/16/1101591016.db2.gz QKGHZUVCSCZQBK-SJKOYZFVSA-N 2 1 367.718 4.323 20 0 FIADMP CC(C)(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000537292254 1101612160 /nfs/dbraw/zinc/61/21/60/1101612160.db2.gz HGFGVTLLGMFWAI-VQTJNVASSA-N 2 1 350.522 4.130 20 0 FIADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cc(F)cc(Br)c1 ZINC000537306205 1101629743 /nfs/dbraw/zinc/62/97/43/1101629743.db2.gz CUSVBFXTPHPNAU-SJCJKPOMSA-N 2 1 368.294 4.470 20 0 FIADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000506660896 1101710532 /nfs/dbraw/zinc/71/05/32/1101710532.db2.gz LMKMCGMEZQXIEI-UHFFFAOYSA-N 2 1 356.485 4.321 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000506660896 1101710542 /nfs/dbraw/zinc/71/05/42/1101710542.db2.gz LMKMCGMEZQXIEI-UHFFFAOYSA-N 2 1 356.485 4.321 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000537359314 1101714152 /nfs/dbraw/zinc/71/41/52/1101714152.db2.gz YFMVUXHAANEQRD-IPJJNNNSSA-N 2 1 356.510 4.097 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000392714821 1101847865 /nfs/dbraw/zinc/84/78/65/1101847865.db2.gz ZJPGLRAEIOMWMN-QMTHXVAHSA-N 2 1 354.338 4.297 20 0 FIADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000392714821 1101847879 /nfs/dbraw/zinc/84/78/79/1101847879.db2.gz ZJPGLRAEIOMWMN-QMTHXVAHSA-N 2 1 354.338 4.297 20 0 FIADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000519221749 1102018186 /nfs/dbraw/zinc/01/81/86/1102018186.db2.gz HQBIOFAPQTWYKK-CYBMUJFWSA-N 2 1 368.308 4.180 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000519225004 1102021628 /nfs/dbraw/zinc/02/16/28/1102021628.db2.gz JHCVJGKXPXKJHM-SFHVURJKSA-N 2 1 359.558 4.020 20 0 FIADMP FC(F)(F)Oc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167967081 1102272189 /nfs/dbraw/zinc/27/21/89/1102272189.db2.gz AUTOZJPGAASXTD-AYHJJNSGSA-N 2 1 368.443 4.123 20 0 FIADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc2ccccc21 ZINC001167967153 1102275377 /nfs/dbraw/zinc/27/53/77/1102275377.db2.gz DPYHLBNTSAUFCE-LUQQLXLSSA-N 2 1 364.533 4.258 20 0 FIADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000187780800 1102316870 /nfs/dbraw/zinc/31/68/70/1102316870.db2.gz BYXUPDNCQYCIDD-SCTDSRPQSA-N 2 1 352.526 4.114 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000532441919 1102329951 /nfs/dbraw/zinc/32/99/51/1102329951.db2.gz LFIMDDBNRNAHRN-QAPCUYQASA-N 2 1 363.958 4.041 20 0 FIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000040622760 1102343400 /nfs/dbraw/zinc/34/34/00/1102343400.db2.gz MCSMFMHUERKZJO-NXVRBGIVSA-N 2 1 351.332 4.015 20 0 FIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000040622734 1102344826 /nfs/dbraw/zinc/34/48/26/1102344826.db2.gz HJIKOJYBOLZTOF-MXWWQKGMSA-N 2 1 351.332 4.015 20 0 FIADMP c1ccc(CO[C@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969032 1102352533 /nfs/dbraw/zinc/35/25/33/1102352533.db2.gz YQTVVCLCTIGCLT-HVXWDBPDSA-N 2 1 354.538 4.119 20 0 FIADMP COCc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000537636462 1102392706 /nfs/dbraw/zinc/39/27/06/1102392706.db2.gz MPLHIGOAWLMKCI-UHFFFAOYSA-N 2 1 352.522 4.177 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550818435 1102394548 /nfs/dbraw/zinc/39/45/48/1102394548.db2.gz AEMKNMXZMGIISP-UNMCSNQZSA-N 2 1 350.506 4.152 20 0 FIADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)c1 ZINC000550818435 1102394563 /nfs/dbraw/zinc/39/45/63/1102394563.db2.gz AEMKNMXZMGIISP-UNMCSNQZSA-N 2 1 350.506 4.152 20 0 FIADMP CC(C[NH+](Cc1ccccn1)C(C)C)C[N@H+](Cc1ccccn1)C(C)C ZINC000532477645 1102421426 /nfs/dbraw/zinc/42/14/26/1102421426.db2.gz FSWUQPITGXAIPT-UHFFFAOYSA-N 2 1 354.542 4.234 20 0 FIADMP CC(C[NH+](Cc1ccccn1)C(C)C)C[N@@H+](Cc1ccccn1)C(C)C ZINC000532477645 1102421434 /nfs/dbraw/zinc/42/14/34/1102421434.db2.gz FSWUQPITGXAIPT-UHFFFAOYSA-N 2 1 354.542 4.234 20 0 FIADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000532479640 1102423453 /nfs/dbraw/zinc/42/34/53/1102423453.db2.gz LJHLELNHPRDGFZ-RHSMWYFYSA-N 2 1 364.942 4.176 20 0 FIADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CCC(C)CC4)CC3)C2)cc1 ZINC001168215784 1102496660 /nfs/dbraw/zinc/49/66/60/1102496660.db2.gz WVNCYKVKXIBHSX-UHFFFAOYSA-N 2 1 356.554 4.241 20 0 FIADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cscn4)CC3)C2)cc1 ZINC001137593797 1102546643 /nfs/dbraw/zinc/54/66/43/1102546643.db2.gz LYWLNDXIOZQFPP-UHFFFAOYSA-N 2 1 355.551 4.330 20 0 FIADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cscn4)CC3)C2)cc1 ZINC001137593797 1102546651 /nfs/dbraw/zinc/54/66/51/1102546651.db2.gz LYWLNDXIOZQFPP-UHFFFAOYSA-N 2 1 355.551 4.330 20 0 FIADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000061003690 1102614354 /nfs/dbraw/zinc/61/43/54/1102614354.db2.gz AXGNUAVMTAVJMS-UHFFFAOYSA-N 2 1 362.949 4.023 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@H+](CC[C@@H]4CCCC[NH+]4C)CC3)c2c1 ZINC000532654947 1102733993 /nfs/dbraw/zinc/73/39/93/1102733993.db2.gz IAECPFHLXJLRRX-SFHVURJKSA-N 2 1 353.510 4.140 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@@H]4CCCC[NH+]4C)CC3)c2c1 ZINC000532654947 1102734008 /nfs/dbraw/zinc/73/40/08/1102734008.db2.gz IAECPFHLXJLRRX-SFHVURJKSA-N 2 1 353.510 4.140 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[NH+](CC[C@@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000532654947 1102734015 /nfs/dbraw/zinc/73/40/15/1102734015.db2.gz IAECPFHLXJLRRX-SFHVURJKSA-N 2 1 353.510 4.140 20 0 FIADMP COc1ccc2[nH]cc(C3=CC[NH+](CC[C@@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000532654947 1102734028 /nfs/dbraw/zinc/73/40/28/1102734028.db2.gz IAECPFHLXJLRRX-SFHVURJKSA-N 2 1 353.510 4.140 20 0 FIADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007035 1102759407 /nfs/dbraw/zinc/75/94/07/1102759407.db2.gz CJCMUSGMYRALRJ-FCHUYYIVSA-N 2 1 365.521 4.350 20 0 FIADMP Brc1sccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981727 1102771948 /nfs/dbraw/zinc/77/19/48/1102771948.db2.gz GXSXNCVSGNGNHC-MQVJKMGUSA-N 2 1 369.372 4.048 20 0 FIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429356528 1102824485 /nfs/dbraw/zinc/82/44/85/1102824485.db2.gz VPLZJSMATHMPMF-QGZVFWFLSA-N 2 1 362.315 4.257 20 0 FIADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000551034751 1102824756 /nfs/dbraw/zinc/82/47/56/1102824756.db2.gz ONDWSQHSIROEJV-HUVFLSCGSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000551034751 1102824773 /nfs/dbraw/zinc/82/47/73/1102824773.db2.gz ONDWSQHSIROEJV-HUVFLSCGSA-N 2 1 365.565 4.322 20 0 FIADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000551034751 1102824791 /nfs/dbraw/zinc/82/47/91/1102824791.db2.gz ONDWSQHSIROEJV-HUVFLSCGSA-N 2 1 365.565 4.322 20 0 FIADMP Cc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550262493 1102883330 /nfs/dbraw/zinc/88/33/30/1102883330.db2.gz IKFLOBIRMOFCSG-HSZRJFAPSA-N 2 1 364.533 4.013 20 0 FIADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263041 1102884022 /nfs/dbraw/zinc/88/40/22/1102884022.db2.gz TXJDBJUKPQNNND-CEMLEFRQSA-N 2 1 356.554 4.084 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000536626286 1102933496 /nfs/dbraw/zinc/93/34/96/1102933496.db2.gz WUPLGZZKPAXHPY-KHYOSLBOSA-N 2 1 356.913 4.267 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000536626286 1102933499 /nfs/dbraw/zinc/93/34/99/1102933499.db2.gz WUPLGZZKPAXHPY-KHYOSLBOSA-N 2 1 356.913 4.267 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccc2)c1 ZINC000537698604 1102985679 /nfs/dbraw/zinc/98/56/79/1102985679.db2.gz UVUQYQDHWMJRFK-XPWALMASSA-N 2 1 350.506 4.037 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000476987095 1103004807 /nfs/dbraw/zinc/00/48/07/1103004807.db2.gz QNYNYVDOBRWKLF-INIZCTEOSA-N 2 1 359.489 4.443 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000476987095 1103004820 /nfs/dbraw/zinc/00/48/20/1103004820.db2.gz QNYNYVDOBRWKLF-INIZCTEOSA-N 2 1 359.489 4.443 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000476988150 1103005731 /nfs/dbraw/zinc/00/57/31/1103005731.db2.gz UKMRZOXDUWAHPP-LJQANCHMSA-N 2 1 358.574 4.475 20 0 FIADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000476988150 1103005743 /nfs/dbraw/zinc/00/57/43/1103005743.db2.gz UKMRZOXDUWAHPP-LJQANCHMSA-N 2 1 358.574 4.475 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@H]1c1ccccc1 ZINC000551264151 1103021145 /nfs/dbraw/zinc/02/11/45/1103021145.db2.gz IEDSLTPKQNKORE-MOPGFXCFSA-N 2 1 363.427 4.068 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)C[C@H]1c1ccccc1 ZINC000551264151 1103021161 /nfs/dbraw/zinc/02/11/61/1103021161.db2.gz IEDSLTPKQNKORE-MOPGFXCFSA-N 2 1 363.427 4.068 20 0 FIADMP CN(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000551267154 1103026871 /nfs/dbraw/zinc/02/68/71/1103026871.db2.gz MYBGZAHWBFOIIH-KXTRFFEISA-N 2 1 365.565 4.322 20 0 FIADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650664 1103308406 /nfs/dbraw/zinc/30/84/06/1103308406.db2.gz CMPJZFCDBDQCAE-HUJKARHJSA-N 2 1 353.510 4.180 20 0 FIADMP CC(C)[NH+]1CCC([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000507360885 1103337508 /nfs/dbraw/zinc/33/75/08/1103337508.db2.gz POXUAXBOXUCBCM-UHFFFAOYSA-N 2 1 358.448 4.279 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000507498118 1103429718 /nfs/dbraw/zinc/42/97/18/1103429718.db2.gz UFTBFUMWRPCOQI-IZBOUPIGSA-N 2 1 368.496 4.013 20 0 FIADMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000507498118 1103429721 /nfs/dbraw/zinc/42/97/21/1103429721.db2.gz UFTBFUMWRPCOQI-IZBOUPIGSA-N 2 1 368.496 4.013 20 0 FIADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000551799112 1103644975 /nfs/dbraw/zinc/64/49/75/1103644975.db2.gz LGSXEAPOJXMUQU-SFHVURJKSA-N 2 1 366.553 4.296 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000551799112 1103644981 /nfs/dbraw/zinc/64/49/81/1103644981.db2.gz LGSXEAPOJXMUQU-SFHVURJKSA-N 2 1 366.553 4.296 20 0 FIADMP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000551798476 1103676025 /nfs/dbraw/zinc/67/60/25/1103676025.db2.gz YQSKJDGGFQLJPH-ZOCIIQOWSA-N 2 1 352.444 4.415 20 0 FIADMP COC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789935 1103854779 /nfs/dbraw/zinc/85/47/79/1103854779.db2.gz IDSRTACGPAATKR-RXVVDRJESA-N 2 1 358.913 4.139 20 0 FIADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789935 1103854788 /nfs/dbraw/zinc/85/47/88/1103854788.db2.gz IDSRTACGPAATKR-RXVVDRJESA-N 2 1 358.913 4.139 20 0 FIADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266199 1104071612 /nfs/dbraw/zinc/07/16/12/1104071612.db2.gz WBWVHUCLJZDSKX-WOJBJXKFSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266199 1104071620 /nfs/dbraw/zinc/07/16/20/1104071620.db2.gz WBWVHUCLJZDSKX-WOJBJXKFSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266199 1104071628 /nfs/dbraw/zinc/07/16/28/1104071628.db2.gz WBWVHUCLJZDSKX-WOJBJXKFSA-N 2 1 366.553 4.174 20 0 FIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538266199 1104071639 /nfs/dbraw/zinc/07/16/39/1104071639.db2.gz WBWVHUCLJZDSKX-WOJBJXKFSA-N 2 1 366.553 4.174 20 0 FIADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520343991 1104284756 /nfs/dbraw/zinc/28/47/56/1104284756.db2.gz SRLYFAANSNFWQJ-FPOVZHCZSA-N 2 1 358.570 4.330 20 0 FIADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441419875 1104381410 /nfs/dbraw/zinc/38/14/10/1104381410.db2.gz YFDRUTRGUOWKNY-HNAYVOBHSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441419875 1104381421 /nfs/dbraw/zinc/38/14/21/1104381421.db2.gz YFDRUTRGUOWKNY-HNAYVOBHSA-N 2 1 368.443 4.033 20 0 FIADMP FC(F)(F)c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441419875 1104381430 /nfs/dbraw/zinc/38/14/30/1104381430.db2.gz YFDRUTRGUOWKNY-HNAYVOBHSA-N 2 1 368.443 4.033 20 0 FIADMP c1ccc2c(c1)cccc2OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441419129 1104400386 /nfs/dbraw/zinc/40/03/86/1104400386.db2.gz JJURSYUUAFFQPX-KNQAVFIVSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419129 1104400394 /nfs/dbraw/zinc/40/03/94/1104400394.db2.gz JJURSYUUAFFQPX-KNQAVFIVSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)cccc2OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441419129 1104400400 /nfs/dbraw/zinc/40/04/00/1104400400.db2.gz JJURSYUUAFFQPX-KNQAVFIVSA-N 2 1 350.506 4.167 20 0 FIADMP c1ccc2c(c1)nc([C@H]1CCCC[NH2+]1)n2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994456 1104491612 /nfs/dbraw/zinc/49/16/12/1104491612.db2.gz FJJOYKQJEPNNNC-KXZRCVDZSA-N 2 1 364.537 4.429 20 0 FIADMP c1ccc(COC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995366 1104498694 /nfs/dbraw/zinc/49/86/94/1104498694.db2.gz COPWLAKOVGDWHN-CBQGHPETSA-N 2 1 354.538 4.073 20 0 FIADMP COc1ccc([C@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995482 1104515874 /nfs/dbraw/zinc/51/58/74/1104515874.db2.gz GZXOYOKRAIVZNK-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP COc1ccc([C@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167995482 1104515882 /nfs/dbraw/zinc/51/58/82/1104515882.db2.gz GZXOYOKRAIVZNK-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP COc1ccc([C@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167995482 1104515890 /nfs/dbraw/zinc/51/58/90/1104515890.db2.gz GZXOYOKRAIVZNK-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP COc1ccc([C@H]2CSCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167995482 1104515896 /nfs/dbraw/zinc/51/58/96/1104515896.db2.gz GZXOYOKRAIVZNK-XQXKNUKBSA-N 2 1 372.578 4.191 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585521 1104904294 /nfs/dbraw/zinc/90/42/94/1104904294.db2.gz CWUFIIJVAGNIOW-VJBMBRPKSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585521 1104904295 /nfs/dbraw/zinc/90/42/95/1104904295.db2.gz CWUFIIJVAGNIOW-VJBMBRPKSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585521 1104904296 /nfs/dbraw/zinc/90/42/96/1104904296.db2.gz CWUFIIJVAGNIOW-VJBMBRPKSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001143585521 1104904298 /nfs/dbraw/zinc/90/42/98/1104904298.db2.gz CWUFIIJVAGNIOW-VJBMBRPKSA-N 2 1 367.512 4.262 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190599174 1104947352 /nfs/dbraw/zinc/94/73/52/1104947352.db2.gz PDFGRXJTQQWAPA-ZBEGNZNMSA-N 2 1 368.344 4.393 20 0 FIADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000509615186 1104949549 /nfs/dbraw/zinc/94/95/49/1104949549.db2.gz CYHTXAHGOURCHO-UHFFFAOYSA-N 2 1 354.542 4.045 20 0 FIADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000509615186 1104949552 /nfs/dbraw/zinc/94/95/52/1104949552.db2.gz CYHTXAHGOURCHO-UHFFFAOYSA-N 2 1 354.542 4.045 20 0 FIADMP c1ccc2c(c1)c(C1CC[NH2+]CC1)nn2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003219 1104996505 /nfs/dbraw/zinc/99/65/05/1104996505.db2.gz KTRQJEPHSSMGQO-YOFSQIOKSA-N 2 1 364.537 4.081 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781700 1105006510 /nfs/dbraw/zinc/00/65/10/1105006510.db2.gz ZGCNEIQIRGUZQM-MZYLBHOOSA-N 2 1 368.496 4.176 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2)cc1F ZINC000507781700 1105006513 /nfs/dbraw/zinc/00/65/13/1105006513.db2.gz ZGCNEIQIRGUZQM-MZYLBHOOSA-N 2 1 368.496 4.176 20 0 FIADMP Cc1cc(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001143586478 1105014504 /nfs/dbraw/zinc/01/45/04/1105014504.db2.gz OAGSQDMBHMOWAG-UHFFFAOYSA-N 2 1 353.485 4.017 20 0 FIADMP COc1ccccc1S[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168004755 1105046020 /nfs/dbraw/zinc/04/60/20/1105046020.db2.gz YMSZTCHNPRJXRR-JIRNRHONSA-N 2 1 372.578 4.267 20 0 FIADMP COc1ccccc1S[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168004755 1105046027 /nfs/dbraw/zinc/04/60/27/1105046027.db2.gz YMSZTCHNPRJXRR-JIRNRHONSA-N 2 1 372.578 4.267 20 0 FIADMP COc1ccccc1S[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168004755 1105046033 /nfs/dbraw/zinc/04/60/33/1105046033.db2.gz YMSZTCHNPRJXRR-JIRNRHONSA-N 2 1 372.578 4.267 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000507791504 1105076935 /nfs/dbraw/zinc/07/69/35/1105076935.db2.gz CPOXWEOKAOHXCE-DNVJHFABSA-N 2 1 356.554 4.180 20 0 FIADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000507791504 1105076941 /nfs/dbraw/zinc/07/69/41/1105076941.db2.gz CPOXWEOKAOHXCE-DNVJHFABSA-N 2 1 356.554 4.180 20 0 FIADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)c1 ZINC000152403513 1105087548 /nfs/dbraw/zinc/08/75/48/1105087548.db2.gz ASSJRXROJLXILO-CVDCTZTESA-N 2 1 350.506 4.053 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152415565 1105105017 /nfs/dbraw/zinc/10/50/17/1105105017.db2.gz UUNSJICMJIERPT-MLGOLLRUSA-N 2 1 355.309 4.281 20 0 FIADMP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152415565 1105105023 /nfs/dbraw/zinc/10/50/23/1105105023.db2.gz UUNSJICMJIERPT-MLGOLLRUSA-N 2 1 355.309 4.281 20 0 FIADMP COC1CC[NH+](C2(C[NH2+][C@@H](Cc3ccccc3)C(C)C)CCCC2)CC1 ZINC000427693133 1105241528 /nfs/dbraw/zinc/24/15/28/1105241528.db2.gz FWWHSBNFVIJCLS-QFIPXVFZSA-N 2 1 358.570 4.267 20 0 FIADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000507911685 1105263180 /nfs/dbraw/zinc/26/31/80/1105263180.db2.gz DDCRMWCLEKEIEQ-UHFFFAOYSA-N 2 1 374.573 4.007 20 0 FIADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000507911685 1105263185 /nfs/dbraw/zinc/26/31/85/1105263185.db2.gz DDCRMWCLEKEIEQ-UHFFFAOYSA-N 2 1 374.573 4.007 20 0 FIADMP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000427831453 1105290618 /nfs/dbraw/zinc/29/06/18/1105290618.db2.gz KBCPEIYOZMBHHK-LNLFQRSKSA-N 2 1 352.526 4.114 20 0 FIADMP CCSc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000427868049 1105303624 /nfs/dbraw/zinc/30/36/24/1105303624.db2.gz VUAFITZFRVBWOS-PWRODBHTSA-N 2 1 367.562 4.194 20 0 FIADMP C[C@H]1C[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000390595060 1106738649 /nfs/dbraw/zinc/73/86/49/1106738649.db2.gz UZEYSXLLEBVRES-REWPJTCUSA-N 2 1 352.522 4.236 20 0 FIADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000390719028 1106752989 /nfs/dbraw/zinc/75/29/89/1106752989.db2.gz YVPPHYQGSVHOBB-DSBNJHONSA-N 2 1 354.538 4.119 20 0 FIADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000390719032 1106753144 /nfs/dbraw/zinc/75/31/44/1106753144.db2.gz YVPPHYQGSVHOBB-NAQMCUANSA-N 2 1 354.538 4.119 20 0 FIADMP C[C@@H]1CC([N@H+]2CC[C@@H](COCC3CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064252 1106855189 /nfs/dbraw/zinc/85/51/89/1106855189.db2.gz PLVFFGSHRNMPML-WOIUINJBSA-N 2 1 356.554 4.177 20 0 FIADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cnccn2)C[C@H](C)N1Cc1ccccc1 ZINC001168065264 1106902322 /nfs/dbraw/zinc/90/23/22/1106902322.db2.gz VFHJIHIGCNZTAS-TWWGPRNNSA-N 2 1 350.510 4.055 20 0 FIADMP FC1(F)CC(C[NH+]2CCCC3(CCC[N@H+](CC4CC(F)(F)C4)C3)C2)C1 ZINC000451046721 1106907495 /nfs/dbraw/zinc/90/74/95/1106907495.db2.gz QEDKXSXVSMSWFT-UHFFFAOYSA-N 2 1 362.455 4.255 20 0 FIADMP C[NH+](C)[C@H](CNc1cc[nH+]c2ccc(Br)cc12)c1ccco1 ZINC000301164823 1106950828 /nfs/dbraw/zinc/95/08/28/1106950828.db2.gz GZASZNKXGPGHHT-MRXNPFEDSA-N 2 1 360.255 4.305 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000530914293 1107409521 /nfs/dbraw/zinc/40/95/21/1107409521.db2.gz WOTFLTQEAVKGTG-PKOBYXMFSA-N 2 1 360.933 4.105 20 0 FIADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCS2 ZINC000152441400 1107648535 /nfs/dbraw/zinc/64/85/35/1107648535.db2.gz VWIAIXUZTJBYFR-MLGOLLRUSA-N 2 1 367.356 4.060 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508098 1107905522 /nfs/dbraw/zinc/90/55/22/1107905522.db2.gz JQPIQWRNBCELHW-STQMWFEESA-N 2 1 363.299 4.330 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2cc(Br)ccc2o1 ZINC000193508098 1107905524 /nfs/dbraw/zinc/90/55/24/1107905524.db2.gz JQPIQWRNBCELHW-STQMWFEESA-N 2 1 363.299 4.330 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+]CC2CCCCCC2)c1)C1CCOCC1 ZINC000531489990 1107927219 /nfs/dbraw/zinc/92/72/19/1107927219.db2.gz IKOLHBUSVFOTCT-UHFFFAOYSA-N 2 1 374.569 4.236 20 0 FIADMP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000531688943 1108054696 /nfs/dbraw/zinc/05/46/96/1108054696.db2.gz MOVFMOQHVCZWNU-ZCNNSNEGSA-N 2 1 352.522 4.455 20 0 FIADMP COc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000531703799 1108084722 /nfs/dbraw/zinc/08/47/22/1108084722.db2.gz KAIAJMUFGMBEHE-HNNXBMFYSA-N 2 1 353.441 4.222 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000531712332 1108090892 /nfs/dbraw/zinc/09/08/92/1108090892.db2.gz YUANQRLAXPEFKL-VGOFRKELSA-N 2 1 374.488 4.027 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692702 1108096524 /nfs/dbraw/zinc/09/65/24/1108096524.db2.gz VUNSVBBOLJTPGQ-WGGBDISSSA-N 2 1 368.521 4.060 20 0 FIADMP COc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692702 1108096539 /nfs/dbraw/zinc/09/65/39/1108096539.db2.gz VUNSVBBOLJTPGQ-WGGBDISSSA-N 2 1 368.521 4.060 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@@H](CC3CC3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000531722210 1108113832 /nfs/dbraw/zinc/11/38/32/1108113832.db2.gz ILQUMKKMCLJAMQ-NRFANRHFSA-N 2 1 350.510 4.193 20 0 FIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCOCC1 ZINC000531724324 1108114920 /nfs/dbraw/zinc/11/49/20/1108114920.db2.gz XZZYDZIFRCMVKE-JOCHJYFZSA-N 2 1 356.510 4.206 20 0 FIADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000453057483 1108132482 /nfs/dbraw/zinc/13/24/82/1108132482.db2.gz FJPYGPUODICHNJ-QRVBRYPASA-N 2 1 354.542 4.232 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444746705 1108148238 /nfs/dbraw/zinc/14/82/38/1108148238.db2.gz YVOZHGQRFXPKJJ-CQSZACIVSA-N 2 1 365.321 4.494 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453102751 1108170659 /nfs/dbraw/zinc/17/06/59/1108170659.db2.gz BFEWLLLRWZAOKV-IRXDYDNUSA-N 2 1 350.466 4.366 20 0 FIADMP CCC(CC)(C[NH2+][C@@H](C)C1(OC)CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000453106045 1108174111 /nfs/dbraw/zinc/17/41/11/1108174111.db2.gz CTSIYJZKPKIUPO-MOPGFXCFSA-N 2 1 362.558 4.070 20 0 FIADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000523391897 1108176815 /nfs/dbraw/zinc/17/68/15/1108176815.db2.gz QLWYQSCRUUBDIL-UHFFFAOYSA-N 2 1 364.533 4.463 20 0 FIADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2sccc21 ZINC000453198629 1108267057 /nfs/dbraw/zinc/26/70/57/1108267057.db2.gz QHUUNOIGCCPYCJ-XFQXTVEOSA-N 2 1 356.535 4.043 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)nc2[nH]1 ZINC000453263047 1108336237 /nfs/dbraw/zinc/33/62/37/1108336237.db2.gz YLYABPCJJUQXOI-FSSWDIPSSA-N 2 1 360.505 4.096 20 0 FIADMP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)nc2[nH]1 ZINC000453263047 1108336251 /nfs/dbraw/zinc/33/62/51/1108336251.db2.gz YLYABPCJJUQXOI-FSSWDIPSSA-N 2 1 360.505 4.096 20 0 FIADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453265152 1108337773 /nfs/dbraw/zinc/33/77/73/1108337773.db2.gz XHKSGOWZOVSTHT-AKHDSKFASA-N 2 1 370.459 4.129 20 0 FIADMP Cc1cnn(CCCCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000523612357 1108361607 /nfs/dbraw/zinc/36/16/07/1108361607.db2.gz BEVHKMQZMQETHZ-UHFFFAOYSA-N 2 1 368.569 4.206 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)C1CC1 ZINC000453386249 1108470812 /nfs/dbraw/zinc/47/08/12/1108470812.db2.gz ALBNZRZEFQTJRB-OAQYLSRUSA-N 2 1 357.929 4.483 20 0 FIADMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1c(Br)ccc2F)C1CC1 ZINC000453388619 1108473646 /nfs/dbraw/zinc/47/36/46/1108473646.db2.gz BTGCPFOIIDXYAI-INIZCTEOSA-N 2 1 355.295 4.040 20 0 FIADMP COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000531970129 1108478250 /nfs/dbraw/zinc/47/82/50/1108478250.db2.gz PDSFGTAXYKTHQE-KRWDZBQOSA-N 2 1 371.525 4.171 20 0 FIADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207228 1108694458 /nfs/dbraw/zinc/69/44/58/1108694458.db2.gz UZUWLWGAYDECAZ-KSFYIVLOSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)CCO1 ZINC000532207228 1108694463 /nfs/dbraw/zinc/69/44/63/1108694463.db2.gz UZUWLWGAYDECAZ-KSFYIVLOSA-N 2 1 370.924 4.338 20 0 FIADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCCC2(C)C)c1)C1CCOCC1 ZINC000532214015 1108715155 /nfs/dbraw/zinc/71/51/55/1108715155.db2.gz NTCHXMWAWHFEAT-QFIPXVFZSA-N 2 1 374.569 4.235 20 0 FIADMP COc1ccsc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000532213369 1108715706 /nfs/dbraw/zinc/71/57/06/1108715706.db2.gz QQZLDUWLOTURIT-UHFFFAOYSA-N 2 1 356.491 4.272 20 0 FIADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225246 1108723119 /nfs/dbraw/zinc/72/31/19/1108723119.db2.gz FNIJCKKMCYYFQK-MJGOQNOKSA-N 2 1 356.485 4.397 20 0 FIADMP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CCCC2)cc1C ZINC000532249235 1108728108 /nfs/dbraw/zinc/72/81/08/1108728108.db2.gz ROTPBWMSZQUJSY-IRFCIJBXSA-N 2 1 371.569 4.121 20 0 FIADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524370086 1108991823 /nfs/dbraw/zinc/99/18/23/1108991823.db2.gz UUYUHWHOTQLSJV-UHFFFAOYSA-N 2 1 359.558 4.146 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@H](C)C1 ZINC000524551020 1109066370 /nfs/dbraw/zinc/06/63/70/1109066370.db2.gz SJWDKFIUDDTMBO-UTKZUKDTSA-N 2 1 374.500 4.312 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@H](C)C1 ZINC000524551020 1109066375 /nfs/dbraw/zinc/06/63/75/1109066375.db2.gz SJWDKFIUDDTMBO-UTKZUKDTSA-N 2 1 374.500 4.312 20 0 FIADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(Br)cc1Cl ZINC000446832924 1109355258 /nfs/dbraw/zinc/35/52/58/1109355258.db2.gz QVCJHLXTFIBVBP-HNNXBMFYSA-N 2 1 356.695 4.348 20 0 FIADMP CCC[N@H+](Cc1ccsc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000508576267 1109371898 /nfs/dbraw/zinc/37/18/98/1109371898.db2.gz ATKNBWGTRWTUNA-UHFFFAOYSA-N 2 1 358.555 4.344 20 0 FIADMP CCC[N@@H+](Cc1ccsc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000508576267 1109371903 /nfs/dbraw/zinc/37/19/03/1109371903.db2.gz ATKNBWGTRWTUNA-UHFFFAOYSA-N 2 1 358.555 4.344 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cccc(Cl)c2)[C@H](C)C1 ZINC000525869925 1109547183 /nfs/dbraw/zinc/54/71/83/1109547183.db2.gz XCVPVLJGVWQTQO-QKLQHJQFSA-N 2 1 352.950 4.170 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000447530637 1109563470 /nfs/dbraw/zinc/56/34/70/1109563470.db2.gz NDOUSWWDFJAKNI-IRXDYDNUSA-N 2 1 370.493 4.149 20 0 FIADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000447530637 1109563473 /nfs/dbraw/zinc/56/34/73/1109563473.db2.gz NDOUSWWDFJAKNI-IRXDYDNUSA-N 2 1 370.493 4.149 20 0 FIADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000447514071 1109567040 /nfs/dbraw/zinc/56/70/40/1109567040.db2.gz ATRXOZUNPWBVHB-DNQXCXABSA-N 2 1 364.533 4.493 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)o1 ZINC000447543373 1109574156 /nfs/dbraw/zinc/57/41/56/1109574156.db2.gz RXSGRZYEZGNEMS-FGTMMUONSA-N 2 1 356.510 4.356 20 0 FIADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000525980849 1109580358 /nfs/dbraw/zinc/58/03/58/1109580358.db2.gz GVBYVSAIDJVJKZ-UHFFFAOYSA-N 2 1 373.491 4.052 20 0 FIADMP COC1CCC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447600252 1109599314 /nfs/dbraw/zinc/59/93/14/1109599314.db2.gz LLKQOLQPKWGKIX-YYDSYHLRSA-N 2 1 356.554 4.367 20 0 FIADMP C[C@@H](C[NH+]1CCCCCC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447608317 1109601337 /nfs/dbraw/zinc/60/13/37/1109601337.db2.gz VCHTZRKNOSJPNO-SNJCGAMXSA-N 2 1 355.570 4.036 20 0 FIADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000508603031 1109606200 /nfs/dbraw/zinc/60/62/00/1109606200.db2.gz GUFHJMBZWZPYIB-LJQANCHMSA-N 2 1 373.566 4.013 20 0 FIADMP C[C@H](CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000447725030 1109634644 /nfs/dbraw/zinc/63/46/44/1109634644.db2.gz ABGBOJQVNGVVEB-OAQYLSRUSA-N 2 1 371.613 4.308 20 0 FIADMP C[C@H](CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000447725030 1109634647 /nfs/dbraw/zinc/63/46/47/1109634647.db2.gz ABGBOJQVNGVVEB-OAQYLSRUSA-N 3 1 371.613 4.308 20 0 FIADMP C[C@H](CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000447725030 1109634648 /nfs/dbraw/zinc/63/46/48/1109634648.db2.gz ABGBOJQVNGVVEB-OAQYLSRUSA-N 3 1 371.613 4.308 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000447935778 1109682556 /nfs/dbraw/zinc/68/25/56/1109682556.db2.gz JRDRCTGQBLPENW-DYESRHJHSA-N 2 1 366.534 4.107 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000447935778 1109682561 /nfs/dbraw/zinc/68/25/61/1109682561.db2.gz JRDRCTGQBLPENW-DYESRHJHSA-N 2 1 366.534 4.107 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098397 1109691914 /nfs/dbraw/zinc/69/19/14/1109691914.db2.gz GKJDUSPKFQFHOW-LRDDRELGSA-N 2 1 359.739 4.485 20 0 FIADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Cl ZINC000527098397 1109691917 /nfs/dbraw/zinc/69/19/17/1109691917.db2.gz GKJDUSPKFQFHOW-LRDDRELGSA-N 2 1 359.739 4.485 20 0 FIADMP CCC[NH+]1CCC([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000448099868 1109724232 /nfs/dbraw/zinc/72/42/32/1109724232.db2.gz VWJDMAJNZJCUDP-UHFFFAOYSA-N 2 1 362.521 4.308 20 0 FIADMP CCC[NH+]1CCC([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000448099868 1109724236 /nfs/dbraw/zinc/72/42/36/1109724236.db2.gz VWJDMAJNZJCUDP-UHFFFAOYSA-N 2 1 362.521 4.308 20 0 FIADMP CCN(Cc1ccnn1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448330829 1109773883 /nfs/dbraw/zinc/77/38/83/1109773883.db2.gz FUHSYQZULUUVCE-JOCHJYFZSA-N 2 1 374.532 4.216 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)cn1 ZINC000527841001 1109836760 /nfs/dbraw/zinc/83/67/60/1109836760.db2.gz FYTQJJZQGMUNHJ-ODOSVJCGSA-N 2 1 365.521 4.184 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)cn1 ZINC000527841001 1109836761 /nfs/dbraw/zinc/83/67/61/1109836761.db2.gz FYTQJJZQGMUNHJ-ODOSVJCGSA-N 2 1 365.521 4.184 20 0 FIADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cc(-c3ccccc3)n(C)n2)c1 ZINC000527857405 1109840027 /nfs/dbraw/zinc/84/00/27/1109840027.db2.gz AUVZNBVTRAZGSC-SFHVURJKSA-N 2 1 362.521 4.390 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)c1 ZINC000527857405 1109840030 /nfs/dbraw/zinc/84/00/30/1109840030.db2.gz AUVZNBVTRAZGSC-SFHVURJKSA-N 2 1 362.521 4.390 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)c1 ZINC000527857405 1109840032 /nfs/dbraw/zinc/84/00/32/1109840032.db2.gz AUVZNBVTRAZGSC-SFHVURJKSA-N 2 1 362.521 4.390 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cn1 ZINC000528044863 1109897394 /nfs/dbraw/zinc/89/73/94/1109897394.db2.gz VZSDJAAORDKGNB-AMHTUMDSSA-N 2 1 365.521 4.042 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449079058 1109974295 /nfs/dbraw/zinc/97/42/95/1109974295.db2.gz ZGJIQDWRPXHMFP-MEDUHNTESA-N 2 1 366.278 4.006 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449079059 1109974470 /nfs/dbraw/zinc/97/44/70/1109974470.db2.gz ZGJIQDWRPXHMFP-ZBEGNZNMSA-N 2 1 366.278 4.006 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449214466 1109996909 /nfs/dbraw/zinc/99/69/09/1109996909.db2.gz WTOVJMALVMAZEM-FYYLOGMGSA-N 2 1 371.613 4.040 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449214466 1109996913 /nfs/dbraw/zinc/99/69/13/1109996913.db2.gz WTOVJMALVMAZEM-FYYLOGMGSA-N 3 1 371.613 4.040 20 0 FIADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449214466 1109996915 /nfs/dbraw/zinc/99/69/15/1109996915.db2.gz WTOVJMALVMAZEM-FYYLOGMGSA-N 3 1 371.613 4.040 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235149 1109998734 /nfs/dbraw/zinc/99/87/34/1109998734.db2.gz TWUCPAZFXWOANW-DXCKQFNASA-N 2 1 352.444 4.334 20 0 FIADMP C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449235149 1109998735 /nfs/dbraw/zinc/99/87/35/1109998735.db2.gz TWUCPAZFXWOANW-DXCKQFNASA-N 2 1 352.444 4.334 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](C)Cc3coc4ccccc34)CC2)nc(C)[nH+]1 ZINC000449220317 1109999906 /nfs/dbraw/zinc/99/99/06/1109999906.db2.gz CPSAAFJWMOSOII-OAHLLOKOSA-N 2 1 364.493 4.029 20 0 FIADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccnc3c(Br)cccc23)CC1 ZINC000449263132 1110018230 /nfs/dbraw/zinc/01/82/30/1110018230.db2.gz GVPZKWNANDFOIT-UHFFFAOYSA-N 2 1 374.326 4.058 20 0 FIADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccnc3c(Br)cccc23)CC1 ZINC000449263132 1110018233 /nfs/dbraw/zinc/01/82/33/1110018233.db2.gz GVPZKWNANDFOIT-UHFFFAOYSA-N 2 1 374.326 4.058 20 0 FIADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342832 1110035022 /nfs/dbraw/zinc/03/50/22/1110035022.db2.gz FPURWCPKRWRPQF-VXKWHMMOSA-N 2 1 356.554 4.084 20 0 FIADMP C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449440411 1110080547 /nfs/dbraw/zinc/08/05/47/1110080547.db2.gz ZHJBMHVCMPIKGA-QAPCUYQASA-N 2 1 363.427 4.101 20 0 FIADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000449478406 1110085094 /nfs/dbraw/zinc/08/50/94/1110085094.db2.gz KCKOWOICXAGURL-MLCQCVOFSA-N 2 1 368.565 4.226 20 0 FIADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000449792185 1110172862 /nfs/dbraw/zinc/17/28/62/1110172862.db2.gz SAYGUAWDPMTLEG-FXAWDEMLSA-N 2 1 350.934 4.067 20 0 FIADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+]([C@H]4CCO[C@H](C)C4)CC3)C2)cc1 ZINC001168114896 1110239054 /nfs/dbraw/zinc/23/90/54/1110239054.db2.gz FLAZJRONNWRNIU-IRLDBZIGSA-N 2 1 356.554 4.241 20 0 FIADMP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389902564 1110286029 /nfs/dbraw/zinc/28/60/29/1110286029.db2.gz DFINXLLBWJBXHK-HXUWFJFHSA-N 2 1 352.522 4.236 20 0 FIADMP CC(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000450642311 1110321943 /nfs/dbraw/zinc/32/19/43/1110321943.db2.gz IOEKSCXVPFCULC-UHFFFAOYSA-N 2 1 362.517 4.377 20 0 FIADMP CC(=O)c1cccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000450657164 1110325722 /nfs/dbraw/zinc/32/57/22/1110325722.db2.gz YOFSAHYSYUYDAA-UHFFFAOYSA-N 2 1 351.494 4.023 20 0 FIADMP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000538409816 1111130452 /nfs/dbraw/zinc/13/04/52/1111130452.db2.gz YOEJQDVRKQPKJI-FDDCHVKYSA-N 2 1 370.512 4.198 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC000538523865 1111171708 /nfs/dbraw/zinc/17/17/08/1111171708.db2.gz QYZADHQXONOHJG-WIYYLYMNSA-N 2 1 350.506 4.327 20 0 FIADMP COc1ccc(C2([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC000538523865 1111171709 /nfs/dbraw/zinc/17/17/09/1111171709.db2.gz QYZADHQXONOHJG-WIYYLYMNSA-N 2 1 350.506 4.327 20 0 FIADMP CC[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000538723584 1111262767 /nfs/dbraw/zinc/26/27/67/1111262767.db2.gz NOMYXARHLGRDIG-QFIPXVFZSA-N 2 1 371.613 4.308 20 0 FIADMP CC[C@@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000538723584 1111262768 /nfs/dbraw/zinc/26/27/68/1111262768.db2.gz NOMYXARHLGRDIG-QFIPXVFZSA-N 3 1 371.613 4.308 20 0 FIADMP CC[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000538723584 1111262772 /nfs/dbraw/zinc/26/27/72/1111262772.db2.gz NOMYXARHLGRDIG-QFIPXVFZSA-N 3 1 371.613 4.308 20 0 FIADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Cl)s3)CC2)CC1 ZINC000538723969 1111274789 /nfs/dbraw/zinc/27/47/89/1111274789.db2.gz JMRKPMFCNAPIAR-UHFFFAOYSA-N 2 1 370.006 4.030 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)oc2cc1C ZINC000539059915 1111404996 /nfs/dbraw/zinc/40/49/96/1111404996.db2.gz PDVUQJFVHQWUTO-VDGAXYAQSA-N 2 1 356.510 4.078 20 0 FIADMP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)oc2cc1C ZINC000539059915 1111404998 /nfs/dbraw/zinc/40/49/98/1111404998.db2.gz PDVUQJFVHQWUTO-VDGAXYAQSA-N 2 1 356.510 4.078 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000539071033 1111418733 /nfs/dbraw/zinc/41/87/33/1111418733.db2.gz SXYZSVOCLHALQU-UGSOOPFHSA-N 2 1 362.315 4.257 20 0 FIADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@H](C)C1 ZINC000539074630 1111420305 /nfs/dbraw/zinc/42/03/05/1111420305.db2.gz WHBDZRAYZFGESK-BEFAXECRSA-N 2 1 362.489 4.107 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccc(F)cc3c2C)[C@H](C)C1 ZINC000539074630 1111420310 /nfs/dbraw/zinc/42/03/10/1111420310.db2.gz WHBDZRAYZFGESK-BEFAXECRSA-N 2 1 362.489 4.107 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462107775 1111495923 /nfs/dbraw/zinc/49/59/23/1111495923.db2.gz IFMCEBOCAZDVTO-OLMNPRSZSA-N 2 1 353.348 4.233 20 0 FIADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462107775 1111495926 /nfs/dbraw/zinc/49/59/26/1111495926.db2.gz IFMCEBOCAZDVTO-OLMNPRSZSA-N 2 1 353.348 4.233 20 0 FIADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000462123521 1111505909 /nfs/dbraw/zinc/50/59/09/1111505909.db2.gz QQRQISMXXLZUNL-WOJBJXKFSA-N 2 1 366.549 4.484 20 0 FIADMP COc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c2)cc1 ZINC000552047583 1111556928 /nfs/dbraw/zinc/55/69/28/1111556928.db2.gz RFENYWWNEVJWJT-NJYVYQBISA-N 2 1 356.535 4.386 20 0 FIADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCCC4CCOCC4)C3)CC2)cc1 ZINC000552059976 1111561065 /nfs/dbraw/zinc/56/10/65/1111561065.db2.gz BGNVPZSANYVHHI-UHFFFAOYSA-N 2 1 356.554 4.181 20 0 FIADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000552062593 1111562974 /nfs/dbraw/zinc/56/29/74/1111562974.db2.gz AGTKBNUBJBPMJL-MLCQCVOFSA-N 2 1 368.565 4.369 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477930993 1111605712 /nfs/dbraw/zinc/60/57/12/1111605712.db2.gz BWUPZKQLKROGHO-OUJCMCIWSA-N 2 1 364.533 4.264 20 0 FIADMP FC(F)(F)Oc1cccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224317 1111624312 /nfs/dbraw/zinc/62/43/12/1111624312.db2.gz SPQWFENRFPKGPB-UGSOOPFHSA-N 2 1 354.416 4.110 20 0 FIADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000552246223 1111636889 /nfs/dbraw/zinc/63/68/89/1111636889.db2.gz NDWZYJMZYUOLSB-WOJBJXKFSA-N 2 1 364.961 4.457 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552246558 1111636899 /nfs/dbraw/zinc/63/68/99/1111636899.db2.gz YHLLVILXNWJGKA-RTWAWAEBSA-N 2 1 364.961 4.193 20 0 FIADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552246556 1111636934 /nfs/dbraw/zinc/63/69/34/1111636934.db2.gz YHLLVILXNWJGKA-LEWJYISDSA-N 2 1 364.961 4.193 20 0 FIADMP CCC[N@H+]1CC[C@H](CN[C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353902 1111997003 /nfs/dbraw/zinc/99/70/03/1111997003.db2.gz ZEKCJTUJKLAUOR-ACJLOTCBSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353902 1111997004 /nfs/dbraw/zinc/99/70/04/1111997004.db2.gz ZEKCJTUJKLAUOR-ACJLOTCBSA-N 2 1 369.322 4.361 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479353902 1111997006 /nfs/dbraw/zinc/99/70/06/1111997006.db2.gz ZEKCJTUJKLAUOR-ACJLOTCBSA-N 2 1 369.322 4.361 20 0 FIADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000479356134 1111997580 /nfs/dbraw/zinc/99/75/80/1111997580.db2.gz WCQPHQKXTKQBLA-ACJLOTCBSA-N 2 1 351.332 4.146 20 0 FIADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC000479441351 1112023687 /nfs/dbraw/zinc/02/36/87/1112023687.db2.gz BFFLLMVLAPRKMJ-QPPBQGQZSA-N 2 1 364.533 4.128 20 0 FIADMP c1cc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667492776 1112033979 /nfs/dbraw/zinc/03/39/79/1112033979.db2.gz VRWWWKBZYZOCFM-UHFFFAOYSA-N 2 1 357.461 4.128 20 0 FIADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000479543458 1112063219 /nfs/dbraw/zinc/06/32/19/1112063219.db2.gz ZXUCKWCESVNRSO-ABHNRTSZSA-N 2 1 363.343 4.351 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000479875397 1112173570 /nfs/dbraw/zinc/17/35/70/1112173570.db2.gz QHTBCKWFIUQCRM-FCEWJHQRSA-N 2 1 372.475 4.493 20 0 FIADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000479897322 1112180807 /nfs/dbraw/zinc/18/08/07/1112180807.db2.gz BNTGMTQZSXYRIA-HSZRJFAPSA-N 2 1 352.522 4.396 20 0 FIADMP C[N@H+](Cc1cc2ccncc2s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667621093 1112285482 /nfs/dbraw/zinc/28/54/82/1112285482.db2.gz ZYCRECMJEDEBFY-SFHVURJKSA-N 2 1 351.519 4.250 20 0 FIADMP C[NH+](Cc1cc2ccncc2s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667621093 1112285483 /nfs/dbraw/zinc/28/54/83/1112285483.db2.gz ZYCRECMJEDEBFY-SFHVURJKSA-N 2 1 351.519 4.250 20 0 FIADMP C[NH+](Cc1cc2ccncc2s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667621093 1112285484 /nfs/dbraw/zinc/28/54/84/1112285484.db2.gz ZYCRECMJEDEBFY-SFHVURJKSA-N 2 1 351.519 4.250 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cnn1-c1ccc(F)cc1 ZINC000480148896 1112302808 /nfs/dbraw/zinc/30/28/08/1112302808.db2.gz ZRBOEZSPLPAQIF-KRWDZBQOSA-N 2 1 358.505 4.092 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480162461 1112309124 /nfs/dbraw/zinc/30/91/24/1112309124.db2.gz BRJDGEWZYXAQGN-IXDOHACOSA-N 2 1 373.928 4.195 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000554349379 1112311028 /nfs/dbraw/zinc/31/10/28/1112311028.db2.gz KTWBMRTYDJJZOM-ATZDWAIDSA-N 2 1 370.459 4.118 20 0 FIADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480252514 1112350479 /nfs/dbraw/zinc/35/04/79/1112350479.db2.gz USQBPFAIKWSZNE-FVJVTNMWSA-N 2 1 364.533 4.319 20 0 FIADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000480608971 1112498908 /nfs/dbraw/zinc/49/89/08/1112498908.db2.gz IJQLPHNNTZOJAP-MQSCRBSSSA-N 2 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000480608971 1112498913 /nfs/dbraw/zinc/49/89/13/1112498913.db2.gz IJQLPHNNTZOJAP-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000480608971 1112498916 /nfs/dbraw/zinc/49/89/16/1112498916.db2.gz IJQLPHNNTZOJAP-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000480608971 1112498920 /nfs/dbraw/zinc/49/89/20/1112498920.db2.gz IJQLPHNNTZOJAP-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000480608971 1112498925 /nfs/dbraw/zinc/49/89/25/1112498925.db2.gz IJQLPHNNTZOJAP-MQSCRBSSSA-N 3 1 357.586 4.141 20 0 FIADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000480615892 1112502897 /nfs/dbraw/zinc/50/28/97/1112502897.db2.gz VTHIATNWBXTJCR-MOPGFXCFSA-N 2 1 369.557 4.047 20 0 FIADMP COc1cc(F)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000480630548 1112510470 /nfs/dbraw/zinc/51/04/70/1112510470.db2.gz JZGFTFADSQPVNL-CVEARBPZSA-N 2 1 352.494 4.006 20 0 FIADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000554893232 1112557436 /nfs/dbraw/zinc/55/74/36/1112557436.db2.gz OIPQFPUUQSVLNT-WFXMLNOXSA-N 2 1 354.542 4.139 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000480697008 1112558563 /nfs/dbraw/zinc/55/85/63/1112558563.db2.gz KCYDSKSGQRGTOK-SNRMKQJTSA-N 2 1 355.551 4.320 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480697008 1112558565 /nfs/dbraw/zinc/55/85/65/1112558565.db2.gz KCYDSKSGQRGTOK-SNRMKQJTSA-N 2 1 355.551 4.320 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480742149 1112580759 /nfs/dbraw/zinc/58/07/59/1112580759.db2.gz BKRLXMMDDDZMCK-WBAXXEDZSA-N 2 1 358.917 4.112 20 0 FIADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000480742149 1112580761 /nfs/dbraw/zinc/58/07/61/1112580761.db2.gz BKRLXMMDDDZMCK-WBAXXEDZSA-N 2 1 358.917 4.112 20 0 FIADMP Cc1ccsc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000480782768 1112595540 /nfs/dbraw/zinc/59/55/40/1112595540.db2.gz XTIPIWJXZSJJMV-QUCCMNQESA-N 2 1 357.567 4.086 20 0 FIADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000554967109 1112597971 /nfs/dbraw/zinc/59/79/71/1112597971.db2.gz MRCVSZOAAFABSK-GOSISDBHSA-N 2 1 374.573 4.301 20 0 FIADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000554967109 1112597973 /nfs/dbraw/zinc/59/79/73/1112597973.db2.gz MRCVSZOAAFABSK-GOSISDBHSA-N 2 1 374.573 4.301 20 0 FIADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000554967109 1112597976 /nfs/dbraw/zinc/59/79/76/1112597976.db2.gz MRCVSZOAAFABSK-GOSISDBHSA-N 2 1 374.573 4.301 20 0 FIADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000481313114 1112896402 /nfs/dbraw/zinc/89/64/02/1112896402.db2.gz JDLCVSDMDGHJDH-DENIHFKCSA-N 2 1 374.569 4.235 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000481313114 1112896410 /nfs/dbraw/zinc/89/64/10/1112896410.db2.gz JDLCVSDMDGHJDH-DENIHFKCSA-N 2 1 374.569 4.235 20 0 FIADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000481328597 1112902050 /nfs/dbraw/zinc/90/20/50/1112902050.db2.gz TXZHLMSERYZJTF-IAGOWNOFSA-N 2 1 357.567 4.425 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(CC)([NH+]3CCC3)CC2)cc1)C(C)C ZINC000899562467 1112908809 /nfs/dbraw/zinc/90/88/09/1112908809.db2.gz UJSMSFKDLDOMMQ-UHFFFAOYSA-N 2 1 371.569 4.007 20 0 FIADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)[C@@H](C)C1 ZINC000481421637 1112938065 /nfs/dbraw/zinc/93/80/65/1112938065.db2.gz IYXVJBXQOZCBCD-HRAATJIYSA-N 2 1 357.542 4.011 20 0 FIADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558558 1112981337 /nfs/dbraw/zinc/98/13/37/1112981337.db2.gz OHGCYZUPCRTBCP-OPAMFIHVSA-N 2 1 370.924 4.338 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)CCO1 ZINC000481558558 1112981339 /nfs/dbraw/zinc/98/13/39/1112981339.db2.gz OHGCYZUPCRTBCP-OPAMFIHVSA-N 2 1 370.924 4.338 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)CCC2 ZINC000481583005 1112989248 /nfs/dbraw/zinc/98/92/48/1112989248.db2.gz PWHOYFMXJPDXRP-OAQYLSRUSA-N 2 1 365.452 4.496 20 0 FIADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1C ZINC000481582955 1112989354 /nfs/dbraw/zinc/98/93/54/1112989354.db2.gz PKVJWPKEJIYUFQ-AZUAARDMSA-N 2 1 352.522 4.375 20 0 FIADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1C ZINC000481582955 1112989356 /nfs/dbraw/zinc/98/93/56/1112989356.db2.gz PKVJWPKEJIYUFQ-AZUAARDMSA-N 2 1 352.522 4.375 20 0 FIADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000481720335 1113060891 /nfs/dbraw/zinc/06/08/91/1113060891.db2.gz FJJYABIYXBYBFN-DRSNIGMVSA-N 2 1 350.506 4.107 20 0 FIADMP Cc1[nH+]cc(CNc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)n1C ZINC000667986323 1113167885 /nfs/dbraw/zinc/16/78/85/1113167885.db2.gz XWCQKKDEEQWLPZ-QFIPXVFZSA-N 2 1 370.541 4.120 20 0 FIADMP Cc1[nH+]cc(CNc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)n1C ZINC000667986323 1113167888 /nfs/dbraw/zinc/16/78/88/1113167888.db2.gz XWCQKKDEEQWLPZ-QFIPXVFZSA-N 2 1 370.541 4.120 20 0 FIADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482117623 1113174325 /nfs/dbraw/zinc/17/43/25/1113174325.db2.gz AIJLJPXTNFNWGG-KNQAVFIVSA-N 2 1 364.533 4.227 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123224 1113181713 /nfs/dbraw/zinc/18/17/13/1113181713.db2.gz VGAFPJDQDZWOEU-QPPBQGQZSA-N 2 1 366.549 4.484 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000482123224 1113181717 /nfs/dbraw/zinc/18/17/17/1113181717.db2.gz VGAFPJDQDZWOEU-QPPBQGQZSA-N 2 1 366.549 4.484 20 0 FIADMP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCCc2cccnc21 ZINC000482280009 1113215930 /nfs/dbraw/zinc/21/59/30/1113215930.db2.gz FZIWRHZTFIHHAL-OAQYLSRUSA-N 2 1 361.493 4.260 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000482334316 1113227973 /nfs/dbraw/zinc/22/79/73/1113227973.db2.gz NSAZRZFUJIJXDC-VGSWGCGISA-N 2 1 371.569 4.320 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456632 1113260876 /nfs/dbraw/zinc/26/08/76/1113260876.db2.gz IFFUYPRODZXAIA-HKUYNNGSSA-N 2 1 356.485 4.050 20 0 FIADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000482456632 1113260879 /nfs/dbraw/zinc/26/08/79/1113260879.db2.gz IFFUYPRODZXAIA-HKUYNNGSSA-N 2 1 356.485 4.050 20 0 FIADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2cc(OC)ccc2c1 ZINC000482867868 1113381255 /nfs/dbraw/zinc/38/12/55/1113381255.db2.gz PBFAQYQXUBVXSR-GGAORHGYSA-N 2 1 370.537 4.126 20 0 FIADMP CC(C)CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000482889572 1113390204 /nfs/dbraw/zinc/39/02/04/1113390204.db2.gz UYUDUCVHMVGYRY-JOCHJYFZSA-N 2 1 373.585 4.086 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183425 1113458995 /nfs/dbraw/zinc/45/89/95/1113458995.db2.gz ZWIUJYVUDKOKBV-WDYCEAGBSA-N 2 1 372.475 4.493 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183425 1113458998 /nfs/dbraw/zinc/45/89/98/1113458998.db2.gz ZWIUJYVUDKOKBV-WDYCEAGBSA-N 2 1 372.475 4.493 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183424 1113459169 /nfs/dbraw/zinc/45/91/69/1113459169.db2.gz ZWIUJYVUDKOKBV-VDZJLULYSA-N 2 1 372.475 4.493 20 0 FIADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483183424 1113459172 /nfs/dbraw/zinc/45/91/72/1113459172.db2.gz ZWIUJYVUDKOKBV-VDZJLULYSA-N 2 1 372.475 4.493 20 0 FIADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488135390 1113860779 /nfs/dbraw/zinc/86/07/79/1113860779.db2.gz DLCKVKNPBNOMCC-CQSZACIVSA-N 2 1 352.309 4.224 20 0 FIADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000488291529 1113905371 /nfs/dbraw/zinc/90/53/71/1113905371.db2.gz FXSSRYZOPPZEIG-UHFFFAOYSA-N 2 1 370.541 4.414 20 0 FIADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490033543 1114205340 /nfs/dbraw/zinc/20/53/40/1114205340.db2.gz PILFHGOUJAFDPC-GOSISDBHSA-N 2 1 356.514 4.019 20 0 FIADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490033543 1114205344 /nfs/dbraw/zinc/20/53/44/1114205344.db2.gz PILFHGOUJAFDPC-GOSISDBHSA-N 2 1 356.514 4.019 20 0 FIADMP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491059040 1114368044 /nfs/dbraw/zinc/36/80/44/1114368044.db2.gz QVWRDQGCQJYETQ-SFHVURJKSA-N 2 1 352.469 4.376 20 0 FIADMP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491059040 1114368046 /nfs/dbraw/zinc/36/80/46/1114368046.db2.gz QVWRDQGCQJYETQ-SFHVURJKSA-N 2 1 352.469 4.376 20 0 FIADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491059835 1114368709 /nfs/dbraw/zinc/36/87/09/1114368709.db2.gz JLTQSXRSUBAZCM-QHCPKHFHSA-N 2 1 358.570 4.224 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001212144782 1114415775 /nfs/dbraw/zinc/41/57/75/1114415775.db2.gz CPEKKIWVTTURBG-ZDUSSCGKSA-N 2 1 374.382 4.063 20 0 FIADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc(C(F)(F)F)c1 ZINC001212145231 1114423330 /nfs/dbraw/zinc/42/33/30/1114423330.db2.gz PALUSCRCYOSVQJ-HNNXBMFYSA-N 2 1 370.419 4.232 20 0 FIADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212145400 1114429406 /nfs/dbraw/zinc/42/94/06/1114429406.db2.gz SNCIABQJXHSLEK-AWEZNQCLSA-N 2 1 357.285 4.212 20 0 FIADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571781269 1114537146 /nfs/dbraw/zinc/53/71/46/1114537146.db2.gz RIPCKNWKOGBYRM-CEMLEFRQSA-N 2 1 370.581 4.330 20 0 FIADMP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000588178125 1114549486 /nfs/dbraw/zinc/54/94/86/1114549486.db2.gz NXAOYWJWPUEOAL-QRRJMBGHSA-N 2 1 350.506 4.100 20 0 FIADMP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000588178125 1114549488 /nfs/dbraw/zinc/54/94/88/1114549488.db2.gz NXAOYWJWPUEOAL-QRRJMBGHSA-N 2 1 350.506 4.100 20 0 FIADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572285022 1114632808 /nfs/dbraw/zinc/63/28/08/1114632808.db2.gz RGELQCMWXQHLFX-NRFANRHFSA-N 2 1 350.506 4.025 20 0 FIADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572285022 1114632823 /nfs/dbraw/zinc/63/28/23/1114632823.db2.gz RGELQCMWXQHLFX-NRFANRHFSA-N 2 1 350.506 4.025 20 0 FIADMP Cn1nc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ccccc21 ZINC000589647446 1114821420 /nfs/dbraw/zinc/82/14/20/1114821420.db2.gz ZTIAJAVNASZDQP-UHFFFAOYSA-N 2 1 362.521 4.239 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611273 1114952975 /nfs/dbraw/zinc/95/29/75/1114952975.db2.gz DXJYVBYPDMUPEP-LADGPHEKSA-N 2 1 359.517 4.406 20 0 FIADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc2n1Cc1ccccc1 ZINC000590611273 1114952978 /nfs/dbraw/zinc/95/29/78/1114952978.db2.gz DXJYVBYPDMUPEP-LADGPHEKSA-N 2 1 359.517 4.406 20 0 FIADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000590654375 1114959989 /nfs/dbraw/zinc/95/99/89/1114959989.db2.gz ZIXUOPBFWBBHOL-RUZDIDTESA-N 2 1 364.599 4.193 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000590786882 1114973909 /nfs/dbraw/zinc/97/39/09/1114973909.db2.gz IGPFYYFVMNYTLP-UHFFFAOYSA-N 2 1 353.510 4.426 20 0 FIADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000590786601 1114974545 /nfs/dbraw/zinc/97/45/45/1114974545.db2.gz HKPBIOFSKFQIHJ-UHFFFAOYSA-N 2 1 359.341 4.424 20 0 FIADMP COc1ccc(Br)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590787058 1114974685 /nfs/dbraw/zinc/97/46/85/1114974685.db2.gz RECBJTHOQFFKME-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP COc1ccc(Br)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787058 1114974688 /nfs/dbraw/zinc/97/46/88/1114974688.db2.gz RECBJTHOQFFKME-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000591700442 1115124960 /nfs/dbraw/zinc/12/49/60/1115124960.db2.gz BTJFKDJUNBGLRT-CYBMUJFWSA-N 2 1 360.914 4.394 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Br)cn1 ZINC000574811640 1115497153 /nfs/dbraw/zinc/49/71/53/1115497153.db2.gz LSQUIZZYCPZDLZ-CABCVRRESA-N 2 1 354.336 4.007 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574878268 1115512485 /nfs/dbraw/zinc/51/24/85/1115512485.db2.gz ZQRFFNHTKADOOA-NRFANRHFSA-N 2 1 374.532 4.132 20 0 FIADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574878268 1115512487 /nfs/dbraw/zinc/51/24/87/1115512487.db2.gz ZQRFFNHTKADOOA-NRFANRHFSA-N 2 1 374.532 4.132 20 0 FIADMP Cc1ccc(Br)c(F)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001204722816 1115534227 /nfs/dbraw/zinc/53/42/27/1115534227.db2.gz ZSRLSSIMTFHMKR-UHFFFAOYSA-N 2 1 371.338 4.449 20 0 FIADMP Cc1ccc(Br)c(F)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC001204722816 1115534232 /nfs/dbraw/zinc/53/42/32/1115534232.db2.gz ZSRLSSIMTFHMKR-UHFFFAOYSA-N 2 1 371.338 4.449 20 0 FIADMP COC(=O)c1oc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1C ZINC000597050434 1115638140 /nfs/dbraw/zinc/63/81/40/1115638140.db2.gz NHUNJWQUDMLXPR-QGZVFWFLSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1C ZINC000597050434 1115638142 /nfs/dbraw/zinc/63/81/42/1115638142.db2.gz NHUNJWQUDMLXPR-QGZVFWFLSA-N 2 1 370.493 4.039 20 0 FIADMP COC(=O)c1oc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1C ZINC000597050434 1115638143 /nfs/dbraw/zinc/63/81/43/1115638143.db2.gz NHUNJWQUDMLXPR-QGZVFWFLSA-N 2 1 370.493 4.039 20 0 FIADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416103 1115841879 /nfs/dbraw/zinc/84/18/79/1115841879.db2.gz GEZQFFOPNKVQOT-VABKMULXSA-N 2 1 352.497 4.455 20 0 FIADMP Clc1cccc(Oc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1Cl ZINC000607753505 1116060358 /nfs/dbraw/zinc/06/03/58/1116060358.db2.gz ZDEVQPSRDFHMTL-HUUCEWRRSA-N 2 1 363.288 4.437 20 0 FIADMP COc1ccc(CC[C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2C)cc1OC ZINC000534220061 1116172256 /nfs/dbraw/zinc/17/22/56/1116172256.db2.gz XDXGPJWFBDRCJS-HXUWFJFHSA-N 2 1 371.525 4.086 20 0 FIADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2C)cc1OC ZINC000534220061 1116172258 /nfs/dbraw/zinc/17/22/58/1116172258.db2.gz XDXGPJWFBDRCJS-HXUWFJFHSA-N 2 1 371.525 4.086 20 0 FIADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000534332158 1116185501 /nfs/dbraw/zinc/18/55/01/1116185501.db2.gz PZJUGXQSZQCIEH-QHCPKHFHSA-N 2 1 374.569 4.188 20 0 FIADMP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000534972651 1116257039 /nfs/dbraw/zinc/25/70/39/1116257039.db2.gz GHIXXUSOFGMDHX-QFIPXVFZSA-N 2 1 370.924 4.339 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000535052963 1116264726 /nfs/dbraw/zinc/26/47/26/1116264726.db2.gz TZHJKDCJTMHVJO-UHFFFAOYSA-N 2 1 353.510 4.183 20 0 FIADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1Br ZINC000535082660 1116265805 /nfs/dbraw/zinc/26/58/05/1116265805.db2.gz ACMFAKLJKBJPHB-UHFFFAOYSA-N 2 1 369.347 4.010 20 0 FIADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C)C1 ZINC000539819625 1116385016 /nfs/dbraw/zinc/38/50/16/1116385016.db2.gz NXXBEJFDHWZQLB-GHTZIAJQSA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C)C1 ZINC000539819625 1116385018 /nfs/dbraw/zinc/38/50/18/1116385018.db2.gz NXXBEJFDHWZQLB-GHTZIAJQSA-N 2 1 353.510 4.344 20 0 FIADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C)C1 ZINC000539819625 1116385020 /nfs/dbraw/zinc/38/50/20/1116385020.db2.gz NXXBEJFDHWZQLB-GHTZIAJQSA-N 2 1 353.510 4.344 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000462673994 1116391116 /nfs/dbraw/zinc/39/11/16/1116391116.db2.gz ISFFRUWOAFSEDA-INIZCTEOSA-N 2 1 360.933 4.046 20 0 FIADMP CC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861889 1116392242 /nfs/dbraw/zinc/39/22/42/1116392242.db2.gz ABZTWGZJLAQIPB-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[N@H+](Cc1cccc(OC)c1OC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861889 1116392244 /nfs/dbraw/zinc/39/22/44/1116392244.db2.gz ABZTWGZJLAQIPB-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cccc(OC)c1OC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861889 1116392246 /nfs/dbraw/zinc/39/22/46/1116392246.db2.gz ABZTWGZJLAQIPB-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP CC[NH+](Cc1cccc(OC)c1OC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861889 1116392248 /nfs/dbraw/zinc/39/22/48/1116392248.db2.gz ABZTWGZJLAQIPB-FQEVSTJZSA-N 2 1 368.521 4.048 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895308 1117739227 /nfs/dbraw/zinc/73/92/27/1117739227.db2.gz VCIHQKKUWRJLFE-QFIXIFRTSA-N 2 1 374.912 4.284 20 0 FIADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000539895308 1117739228 /nfs/dbraw/zinc/73/92/28/1117739228.db2.gz VCIHQKKUWRJLFE-QFIXIFRTSA-N 2 1 374.912 4.284 20 0 FIADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000462745234 1117749754 /nfs/dbraw/zinc/74/97/54/1117749754.db2.gz OVKPLBVGIOGZCJ-IBGZPJMESA-N 2 1 362.949 4.290 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000462788413 1117772459 /nfs/dbraw/zinc/77/24/59/1117772459.db2.gz APUCAJZZLQEFFD-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000462788413 1117772463 /nfs/dbraw/zinc/77/24/63/1117772463.db2.gz APUCAJZZLQEFFD-KRWDZBQOSA-N 2 1 356.485 4.356 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(OC)c2OC)CC1)CC1CC1 ZINC000539957593 1117775597 /nfs/dbraw/zinc/77/55/97/1117775597.db2.gz XZSPHPAJKGHBAL-UHFFFAOYSA-N 2 1 360.542 4.038 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000462810205 1117779881 /nfs/dbraw/zinc/77/98/81/1117779881.db2.gz ZNMIXYFXVAPOTJ-YHYVQYDKSA-N 2 1 350.506 4.270 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000462810205 1117779885 /nfs/dbraw/zinc/77/98/85/1117779885.db2.gz ZNMIXYFXVAPOTJ-YHYVQYDKSA-N 2 1 350.506 4.270 20 0 FIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462818961 1117794849 /nfs/dbraw/zinc/79/48/49/1117794849.db2.gz RMPPWPGAZDHQSQ-KBPBESRZSA-N 2 1 358.486 4.441 20 0 FIADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1)CC1CC1 ZINC000540049154 1117830678 /nfs/dbraw/zinc/83/06/78/1117830678.db2.gz GJRUTSJSWYTRFC-UHFFFAOYSA-N 2 1 371.569 4.076 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152732 1117906911 /nfs/dbraw/zinc/90/69/11/1117906911.db2.gz NQLAIYROWSTSPV-IEBWSBKVSA-N 2 1 372.532 4.338 20 0 FIADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000540152732 1117906912 /nfs/dbraw/zinc/90/69/12/1117906912.db2.gz NQLAIYROWSTSPV-IEBWSBKVSA-N 2 1 372.532 4.338 20 0 FIADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000540176637 1117916412 /nfs/dbraw/zinc/91/64/12/1117916412.db2.gz UJBNWNPVRJSSTO-UWJYYQICSA-N 2 1 374.475 4.331 20 0 FIADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000540182834 1117924853 /nfs/dbraw/zinc/92/48/53/1117924853.db2.gz UBRPTUZZDQWHMR-FCHUYYIVSA-N 2 1 356.554 4.256 20 0 FIADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073883 1117957918 /nfs/dbraw/zinc/95/79/18/1117957918.db2.gz KQAYJKPFBZPHMU-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463073883 1117957920 /nfs/dbraw/zinc/95/79/20/1117957920.db2.gz KQAYJKPFBZPHMU-ROUUACIJSA-N 2 1 363.977 4.014 20 0 FIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262178 1117962439 /nfs/dbraw/zinc/96/24/39/1117962439.db2.gz GMXYUXYROXNBLD-RDTXWAMCSA-N 2 1 351.332 4.222 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463083087 1117964812 /nfs/dbraw/zinc/96/48/12/1117964812.db2.gz FDUHECRZZASIRX-DENIHFKCSA-N 2 1 366.553 4.071 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463083087 1117964816 /nfs/dbraw/zinc/96/48/16/1117964816.db2.gz FDUHECRZZASIRX-DENIHFKCSA-N 2 1 366.553 4.071 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463083090 1117964927 /nfs/dbraw/zinc/96/49/27/1117964927.db2.gz FDUHECRZZASIRX-SIKLNZKXSA-N 2 1 366.553 4.071 20 0 FIADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463083090 1117964929 /nfs/dbraw/zinc/96/49/29/1117964929.db2.gz FDUHECRZZASIRX-SIKLNZKXSA-N 2 1 366.553 4.071 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112717 1117970161 /nfs/dbraw/zinc/97/01/61/1117970161.db2.gz VVCJLCHTYWBIPV-YKSBVNFPSA-N 2 1 365.565 4.281 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112717 1117970164 /nfs/dbraw/zinc/97/01/64/1117970164.db2.gz VVCJLCHTYWBIPV-YKSBVNFPSA-N 3 1 365.565 4.281 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112717 1117970165 /nfs/dbraw/zinc/97/01/65/1117970165.db2.gz VVCJLCHTYWBIPV-YKSBVNFPSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112717 1117970169 /nfs/dbraw/zinc/97/01/69/1117970169.db2.gz VVCJLCHTYWBIPV-YKSBVNFPSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463112717 1117970170 /nfs/dbraw/zinc/97/01/70/1117970170.db2.gz VVCJLCHTYWBIPV-YKSBVNFPSA-N 3 1 365.565 4.281 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112716 1117970448 /nfs/dbraw/zinc/97/04/48/1117970448.db2.gz VVCJLCHTYWBIPV-RDPSFJRHSA-N 2 1 365.565 4.281 20 0 FIADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112716 1117970449 /nfs/dbraw/zinc/97/04/49/1117970449.db2.gz VVCJLCHTYWBIPV-RDPSFJRHSA-N 3 1 365.565 4.281 20 0 FIADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112716 1117970451 /nfs/dbraw/zinc/97/04/51/1117970451.db2.gz VVCJLCHTYWBIPV-RDPSFJRHSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112716 1117970454 /nfs/dbraw/zinc/97/04/54/1117970454.db2.gz VVCJLCHTYWBIPV-RDPSFJRHSA-N 3 1 365.565 4.281 20 0 FIADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463112716 1117970457 /nfs/dbraw/zinc/97/04/57/1117970457.db2.gz VVCJLCHTYWBIPV-RDPSFJRHSA-N 3 1 365.565 4.281 20 0 FIADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000540301464 1117976503 /nfs/dbraw/zinc/97/65/03/1117976503.db2.gz ZRUQXZBZZNPQEN-OALUTQOASA-N 2 1 372.475 4.229 20 0 FIADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302003 1117976799 /nfs/dbraw/zinc/97/67/99/1117976799.db2.gz MHHQNCUBVRHZEM-RDPSFJRHSA-N 2 1 364.533 4.301 20 0 FIADMP Fc1ccc(OCCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463116058 1117977757 /nfs/dbraw/zinc/97/77/57/1117977757.db2.gz MIOPHIDEEVWOAD-UHFFFAOYSA-N 2 1 370.512 4.281 20 0 FIADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463121020 1117979341 /nfs/dbraw/zinc/97/93/41/1117979341.db2.gz XZMQOIBASYDNIH-PZJWPPBQSA-N 2 1 368.521 4.107 20 0 FIADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463121020 1117979342 /nfs/dbraw/zinc/97/93/42/1117979342.db2.gz XZMQOIBASYDNIH-PZJWPPBQSA-N 2 1 368.521 4.107 20 0 FIADMP Cc1cc(N2CCC([NH2+][C@H](c3ccc(F)c(C)c3)C3CC3)CC2)nc(C)[nH+]1 ZINC000540317554 1117981698 /nfs/dbraw/zinc/98/16/98/1117981698.db2.gz VTVHOCMBTMGQSY-QFIPXVFZSA-N 2 1 368.500 4.251 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463145410 1117982327 /nfs/dbraw/zinc/98/23/27/1117982327.db2.gz YGOMXRJBCSZDDK-SFHVURJKSA-N 2 1 363.977 4.159 20 0 FIADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCSc3ccccc3)CC2)cc1 ZINC000463136020 1117985346 /nfs/dbraw/zinc/98/53/46/1117985346.db2.gz GZJJRNHDDSIGAE-UHFFFAOYSA-N 2 1 358.526 4.215 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000463138803 1117986656 /nfs/dbraw/zinc/98/66/56/1117986656.db2.gz QNHXXXICBDOJMF-SZPZYZBQSA-N 2 1 371.613 4.041 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463138803 1117986659 /nfs/dbraw/zinc/98/66/59/1117986659.db2.gz QNHXXXICBDOJMF-SZPZYZBQSA-N 3 1 371.613 4.041 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463138803 1117986660 /nfs/dbraw/zinc/98/66/60/1117986660.db2.gz QNHXXXICBDOJMF-SZPZYZBQSA-N 3 1 371.613 4.041 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463140164 1117987058 /nfs/dbraw/zinc/98/70/58/1117987058.db2.gz VCBLJVHBLHXWFM-WIYYLYMNSA-N 2 1 353.510 4.012 20 0 FIADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463140164 1117987060 /nfs/dbraw/zinc/98/70/60/1117987060.db2.gz VCBLJVHBLHXWFM-WIYYLYMNSA-N 2 1 353.510 4.012 20 0 FIADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463188743 1118006539 /nfs/dbraw/zinc/00/65/39/1118006539.db2.gz HUEJLTXBXVFHHX-NHCUHLMSSA-N 2 1 364.574 4.487 20 0 FIADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Oc1cccc(F)c1 ZINC000463190173 1118007571 /nfs/dbraw/zinc/00/75/71/1118007571.db2.gz IUKXDJPJCXTCTO-QGZVFWFLSA-N 2 1 374.475 4.029 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463192817 1118009286 /nfs/dbraw/zinc/00/92/86/1118009286.db2.gz QGTBRWSWIHBZDH-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP CCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463192817 1118009292 /nfs/dbraw/zinc/00/92/92/1118009292.db2.gz QGTBRWSWIHBZDH-DENIHFKCSA-N 2 1 352.522 4.271 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463187615 1118016190 /nfs/dbraw/zinc/01/61/90/1118016190.db2.gz CAOWVCANWUDRRR-SFHLNBCPSA-N 2 1 368.521 4.105 20 0 FIADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463187615 1118016233 /nfs/dbraw/zinc/01/62/33/1118016233.db2.gz CAOWVCANWUDRRR-SFHLNBCPSA-N 2 1 368.521 4.105 20 0 FIADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000540419298 1118045521 /nfs/dbraw/zinc/04/55/21/1118045521.db2.gz WFINIWQLHAMGEQ-IGCXYCKISA-N 2 1 369.372 4.163 20 0 FIADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1(C)C ZINC000463283485 1118069604 /nfs/dbraw/zinc/06/96/04/1118069604.db2.gz TXSCQLNRNKBUIG-NHCUHLMSSA-N 2 1 362.533 4.014 20 0 FIADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000463267123 1118071570 /nfs/dbraw/zinc/07/15/70/1118071570.db2.gz OBQVZDFCHBOLKL-KNQAVFIVSA-N 2 1 352.522 4.194 20 0 FIADMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000463267123 1118071577 /nfs/dbraw/zinc/07/15/77/1118071577.db2.gz OBQVZDFCHBOLKL-KNQAVFIVSA-N 2 1 352.522 4.194 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463273473 1118073809 /nfs/dbraw/zinc/07/38/09/1118073809.db2.gz LKRHLFGGSRUSTA-OUJCMCIWSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463273473 1118073812 /nfs/dbraw/zinc/07/38/12/1118073812.db2.gz LKRHLFGGSRUSTA-OUJCMCIWSA-N 2 1 364.533 4.407 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCNc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000463291781 1118076232 /nfs/dbraw/zinc/07/62/32/1118076232.db2.gz YCWPXVFHIUODSD-AZUAARDMSA-N 2 1 355.501 4.270 20 0 FIADMP C[C@H]1C[C@H]([NH2+]CCCNc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000463291781 1118076237 /nfs/dbraw/zinc/07/62/37/1118076237.db2.gz YCWPXVFHIUODSD-AZUAARDMSA-N 2 1 355.501 4.270 20 0 FIADMP CCc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sc1C ZINC000463297183 1118079561 /nfs/dbraw/zinc/07/95/61/1118079561.db2.gz JIWGDMBZOBABLS-IHWFROFDSA-N 2 1 369.578 4.342 20 0 FIADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000540596741 1118140366 /nfs/dbraw/zinc/14/03/66/1118140366.db2.gz GYIQURGYHTUKIW-SFHVURJKSA-N 2 1 365.521 4.264 20 0 FIADMP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658648 1118177604 /nfs/dbraw/zinc/17/76/04/1118177604.db2.gz PTPJRFYWFZNSJX-JTAQYXEDSA-N 2 1 370.537 4.487 20 0 FIADMP Cc1oc2ccccc2c1CC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000463704219 1118286977 /nfs/dbraw/zinc/28/69/77/1118286977.db2.gz CCBNCWDBRIUPFZ-UHFFFAOYSA-N 2 1 369.534 4.297 20 0 FIADMP Cc1oc2ccccc2c1CC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000463704219 1118286981 /nfs/dbraw/zinc/28/69/81/1118286981.db2.gz CCBNCWDBRIUPFZ-UHFFFAOYSA-N 2 1 369.534 4.297 20 0 FIADMP COc1ccc([C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2)cc1 ZINC000540912207 1118311802 /nfs/dbraw/zinc/31/18/02/1118311802.db2.gz HJNGQMWUFFPOHE-KSFYIVLOSA-N 2 1 367.468 4.355 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1C(C)(C)C ZINC000540989828 1118339865 /nfs/dbraw/zinc/33/98/65/1118339865.db2.gz XEKBIARIFZMRBR-WIYYLYMNSA-N 2 1 366.549 4.402 20 0 FIADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)c1 ZINC000464057804 1118420516 /nfs/dbraw/zinc/42/05/16/1118420516.db2.gz OWDHZVKXXQVECW-FUMNGEBKSA-N 2 1 362.583 4.145 20 0 FIADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)c1 ZINC000464057804 1118420520 /nfs/dbraw/zinc/42/05/20/1118420520.db2.gz OWDHZVKXXQVECW-FUMNGEBKSA-N 2 1 362.583 4.145 20 0 FIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000464067990 1118425782 /nfs/dbraw/zinc/42/57/82/1118425782.db2.gz LSBNHTVPHKMKMJ-WRHDZBKDSA-N 2 1 356.554 4.397 20 0 FIADMP CCOc1ccc([C@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000541533902 1118553230 /nfs/dbraw/zinc/55/32/30/1118553230.db2.gz HKNBYTWHGNCZFY-JOCHJYFZSA-N 2 1 362.477 4.312 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000541534827 1118553861 /nfs/dbraw/zinc/55/38/61/1118553861.db2.gz YDFQCAZORCZINY-UHFFFAOYSA-N 2 1 360.383 4.227 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000541534827 1118553862 /nfs/dbraw/zinc/55/38/62/1118553862.db2.gz YDFQCAZORCZINY-UHFFFAOYSA-N 2 1 360.383 4.227 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](C)Cc3ccccc3)CC2)cs1 ZINC000541587779 1118577636 /nfs/dbraw/zinc/57/76/36/1118577636.db2.gz SUCGOMTYPDEKIG-GOSISDBHSA-N 2 1 371.594 4.386 20 0 FIADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839305 1118708743 /nfs/dbraw/zinc/70/87/43/1118708743.db2.gz QLQDZHUMIVTMIC-HXUWFJFHSA-N 2 1 356.485 4.049 20 0 FIADMP C[NH+](CCCOc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839305 1118708748 /nfs/dbraw/zinc/70/87/48/1118708748.db2.gz QLQDZHUMIVTMIC-HXUWFJFHSA-N 2 1 356.485 4.049 20 0 FIADMP C[NH+](CCCOc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839305 1118708753 /nfs/dbraw/zinc/70/87/53/1118708753.db2.gz QLQDZHUMIVTMIC-HXUWFJFHSA-N 2 1 356.485 4.049 20 0 FIADMP Cc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000464943558 1118767465 /nfs/dbraw/zinc/76/74/65/1118767465.db2.gz ULVUUMAKWLSSNJ-UHFFFAOYSA-N 2 1 352.469 4.483 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(OC(F)F)cc3)C2)CC1 ZINC000303046210 1118780458 /nfs/dbraw/zinc/78/04/58/1118780458.db2.gz UGZAZPRMKNFNBO-GOSISDBHSA-N 2 1 352.469 4.232 20 0 FIADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)CC1 ZINC000303046210 1118780460 /nfs/dbraw/zinc/78/04/60/1118780460.db2.gz UGZAZPRMKNFNBO-GOSISDBHSA-N 2 1 352.469 4.232 20 0 FIADMP FC1(F)CCCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000491600216 1118967597 /nfs/dbraw/zinc/96/75/97/1118967597.db2.gz ZWWGGLQRDIFIMG-IBGZPJMESA-N 2 1 350.497 4.499 20 0 FIADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000492113412 1119027492 /nfs/dbraw/zinc/02/74/92/1119027492.db2.gz YNBDVHXEPCJOEJ-VGOFRKELSA-N 2 1 370.562 4.047 20 0 FIADMP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492598589 1119141351 /nfs/dbraw/zinc/14/13/51/1119141351.db2.gz AYVPPUHJHVWOHV-GMAHTHKFSA-N 3 1 357.586 4.143 20 0 FIADMP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492598589 1119141354 /nfs/dbraw/zinc/14/13/54/1119141354.db2.gz AYVPPUHJHVWOHV-GMAHTHKFSA-N 2 1 357.586 4.143 20 0 FIADMP C[C@@H](Nc1cc[nH+]cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309859855 1119303210 /nfs/dbraw/zinc/30/32/10/1119303210.db2.gz MVFDYFHZQRQSNS-GDBMZVCRSA-N 2 1 360.299 4.167 20 0 FIADMP C[C@@H](Nc1cc[nH+]cc1Br)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309859855 1119303214 /nfs/dbraw/zinc/30/32/14/1119303214.db2.gz MVFDYFHZQRQSNS-GDBMZVCRSA-N 2 1 360.299 4.167 20 0 FIADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000542464850 1119338861 /nfs/dbraw/zinc/33/88/61/1119338861.db2.gz LYGFYHVOCKXAJJ-VFNWGFHPSA-N 2 1 350.441 4.298 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178012377 1119364890 /nfs/dbraw/zinc/36/48/90/1119364890.db2.gz OZBWDWNTKLUOQQ-NSYGIPOTSA-N 2 1 358.551 4.115 20 0 FIADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890645 1119393785 /nfs/dbraw/zinc/39/37/85/1119393785.db2.gz DEAUDQNNPMULBG-AUSIDOKSSA-N 2 1 350.506 4.184 20 0 FIADMP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2ccc(F)cc2)cc1 ZINC000493278481 1119438199 /nfs/dbraw/zinc/43/81/99/1119438199.db2.gz UZLMDJPBKJOYMO-RZUBCFFCSA-N 2 1 356.485 4.386 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896955 1119507747 /nfs/dbraw/zinc/50/77/47/1119507747.db2.gz KLQWYWAEUYOEKC-CVDCTZTESA-N 2 1 352.522 4.325 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000493926967 1119509538 /nfs/dbraw/zinc/50/95/38/1119509538.db2.gz PTBVNQKIONQDBQ-LBVMUVSTSA-N 2 1 352.522 4.263 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000493926967 1119509544 /nfs/dbraw/zinc/50/95/44/1119509544.db2.gz PTBVNQKIONQDBQ-LBVMUVSTSA-N 2 1 352.522 4.263 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000493936179 1119511564 /nfs/dbraw/zinc/51/15/64/1119511564.db2.gz KCYCVXLWLHPGPU-LQWHRVPQSA-N 2 1 358.551 4.326 20 0 FIADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000493936179 1119511567 /nfs/dbraw/zinc/51/15/67/1119511567.db2.gz KCYCVXLWLHPGPU-LQWHRVPQSA-N 2 1 358.551 4.326 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000493936186 1119511991 /nfs/dbraw/zinc/51/19/91/1119511991.db2.gz KCYCVXLWLHPGPU-WFXMLNOXSA-N 2 1 358.551 4.326 20 0 FIADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000493936186 1119511996 /nfs/dbraw/zinc/51/19/96/1119511996.db2.gz KCYCVXLWLHPGPU-WFXMLNOXSA-N 2 1 358.551 4.326 20 0 FIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000152538234 1119544106 /nfs/dbraw/zinc/54/41/06/1119544106.db2.gz BPKZFAHCSVLGDD-ICSRJNTNSA-N 2 1 360.505 4.358 20 0 FIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000542474838 1119552815 /nfs/dbraw/zinc/55/28/15/1119552815.db2.gz OWEWZTYKPBMAPJ-NRFANRHFSA-N 2 1 352.457 4.193 20 0 FIADMP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)[C@H]2C ZINC000542485524 1119932897 /nfs/dbraw/zinc/93/28/97/1119932897.db2.gz POURVGZGJQXGKM-RDJZCZTQSA-N 2 1 362.477 4.092 20 0 FIADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2c3ccccc3-c3ccccc32)CC1 ZINC000191580774 1119985515 /nfs/dbraw/zinc/98/55/15/1119985515.db2.gz KJZCJBVHRCJPTH-UHFFFAOYSA-N 2 1 363.549 4.104 20 0 FIADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192727639 1120078568 /nfs/dbraw/zinc/07/85/68/1120078568.db2.gz JZJUYAZFAHHKKK-XZOQPEGZSA-N 2 1 357.586 4.061 20 0 FIADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000192934821 1120091544 /nfs/dbraw/zinc/09/15/44/1120091544.db2.gz KOZVYPPTYQGFLC-KRWDZBQOSA-N 2 1 364.411 4.039 20 0 FIADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000542498680 1120217325 /nfs/dbraw/zinc/21/73/25/1120217325.db2.gz LAZUCIHEOVLJFD-UHFFFAOYSA-N 2 1 370.368 4.032 20 0 FIADMP Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)on1 ZINC000670114294 1120342443 /nfs/dbraw/zinc/34/24/43/1120342443.db2.gz GWGYEAAHJCLVAG-IVZBYUQCSA-N 2 1 359.901 4.340 20 0 FIADMP Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)on1 ZINC000670114294 1120342451 /nfs/dbraw/zinc/34/24/51/1120342451.db2.gz GWGYEAAHJCLVAG-IVZBYUQCSA-N 2 1 359.901 4.340 20 0 FIADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000494989693 1120414600 /nfs/dbraw/zinc/41/46/00/1120414600.db2.gz URIMWSROHWGHSQ-FQEVSTJZSA-N 2 1 371.322 4.390 20 0 FIADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000494989693 1120414602 /nfs/dbraw/zinc/41/46/02/1120414602.db2.gz URIMWSROHWGHSQ-FQEVSTJZSA-N 2 1 371.322 4.390 20 0 FIADMP C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534267 1120436042 /nfs/dbraw/zinc/43/60/42/1120436042.db2.gz RNHNTTUBGLLMTL-SJORKVTESA-N 2 1 350.934 4.352 20 0 FIADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000648744544 1120475992 /nfs/dbraw/zinc/47/59/92/1120475992.db2.gz CMLAWOXOWKVJPF-SFHVURJKSA-N 2 1 368.525 4.064 20 0 FIADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000017316855 1120480460 /nfs/dbraw/zinc/48/04/60/1120480460.db2.gz NBJAIXLSIVVFMP-UHFFFAOYSA-N 2 1 365.521 4.211 20 0 FIADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425507 1120800703 /nfs/dbraw/zinc/80/07/03/1120800703.db2.gz BYNZUPASDYSXIL-NQIIRXRSSA-N 2 1 367.537 4.259 20 0 FIADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000495425507 1120800715 /nfs/dbraw/zinc/80/07/15/1120800715.db2.gz BYNZUPASDYSXIL-NQIIRXRSSA-N 2 1 367.537 4.259 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000495428799 1120804067 /nfs/dbraw/zinc/80/40/67/1120804067.db2.gz ZOGQLWCOQPYEQL-MKWLTTDUSA-N 2 1 358.570 4.470 20 0 FIADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000495428799 1120804073 /nfs/dbraw/zinc/80/40/73/1120804073.db2.gz ZOGQLWCOQPYEQL-MKWLTTDUSA-N 2 1 358.570 4.470 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495431940 1120816748 /nfs/dbraw/zinc/81/67/48/1120816748.db2.gz GALCVQMOGDVRFX-MZKRTTBSSA-N 2 1 374.532 4.434 20 0 FIADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495443817 1120818105 /nfs/dbraw/zinc/81/81/05/1120818105.db2.gz FHZXCRXAFPTHML-URVUXULASA-N 2 1 374.532 4.434 20 0 FIADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc(Br)ncc1F ZINC000762738588 1120956996 /nfs/dbraw/zinc/95/69/96/1120956996.db2.gz UWSCJGLFGBPKQJ-KBPBESRZSA-N 2 1 372.326 4.146 20 0 FIADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000236836462 1120970405 /nfs/dbraw/zinc/97/04/05/1120970405.db2.gz DABVGDNFWKUYDZ-IBGZPJMESA-N 2 1 366.553 4.047 20 0 FIADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000236836462 1120970407 /nfs/dbraw/zinc/97/04/07/1120970407.db2.gz DABVGDNFWKUYDZ-IBGZPJMESA-N 2 1 366.553 4.047 20 0 FIADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000236870691 1120970712 /nfs/dbraw/zinc/97/07/12/1120970712.db2.gz MOJJSHHXNIZAPX-NRFANRHFSA-N 2 1 374.532 4.030 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1ccccc1OCc1cccnc1)C1CCCCC1 ZINC000237085352 1120973016 /nfs/dbraw/zinc/97/30/16/1120973016.db2.gz ZDOOOTYNGTYDNC-UHFFFAOYSA-N 2 1 367.537 4.405 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1ccccc1OCc1cccnc1)C1CCCCC1 ZINC000237085352 1120973018 /nfs/dbraw/zinc/97/30/18/1120973018.db2.gz ZDOOOTYNGTYDNC-UHFFFAOYSA-N 2 1 367.537 4.405 20 0 FIADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000915688987 1121022953 /nfs/dbraw/zinc/02/29/53/1121022953.db2.gz AVVOZJOWKBLZKX-GOSISDBHSA-N 2 1 359.558 4.192 20 0 FIADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2cc(Br)ccc2o1 ZINC000322848771 1121110500 /nfs/dbraw/zinc/11/05/00/1121110500.db2.gz OFKVVZGGYDAJTR-GVZPALNKSA-N 2 1 363.299 4.471 20 0 FIADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2cc(Br)ccc2o1 ZINC000322848771 1121110505 /nfs/dbraw/zinc/11/05/05/1121110505.db2.gz OFKVVZGGYDAJTR-GVZPALNKSA-N 2 1 363.299 4.471 20 0 FIADMP CCCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000155197820 1121220818 /nfs/dbraw/zinc/22/08/18/1121220818.db2.gz ICGLOPPAHYQVAQ-UHFFFAOYSA-N 2 1 363.977 4.016 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000397967148 1121327247 /nfs/dbraw/zinc/32/72/47/1121327247.db2.gz HGNHZZLENYRXLM-FIKGOQFSSA-N 2 1 356.485 4.396 20 0 FIADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000397967148 1121327256 /nfs/dbraw/zinc/32/72/56/1121327256.db2.gz HGNHZZLENYRXLM-FIKGOQFSSA-N 2 1 356.485 4.396 20 0 FIADMP Brc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000166263138 1121468045 /nfs/dbraw/zinc/46/80/45/1121468045.db2.gz CQFCYXARNQDGNX-QZTJIDSGSA-N 2 1 363.343 4.087 20 0 FIADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4ccccc43)cc2)CC1 ZINC000061070099 1121506886 /nfs/dbraw/zinc/50/68/86/1121506886.db2.gz NDRIDUKKEAZAAT-UHFFFAOYSA-N 2 1 373.544 4.267 20 0 FIADMP C[N@H+](CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1 ZINC000061556918 1121521628 /nfs/dbraw/zinc/52/16/28/1121521628.db2.gz WRXHZOJMSNDOCO-UHFFFAOYSA-N 2 1 374.912 4.113 20 0 FIADMP C[N@@H+](CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1 ZINC000061556918 1121521643 /nfs/dbraw/zinc/52/16/43/1121521643.db2.gz WRXHZOJMSNDOCO-UHFFFAOYSA-N 2 1 374.912 4.113 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000123458528 1121577880 /nfs/dbraw/zinc/57/78/80/1121577880.db2.gz DOZOKASRVSEEGR-DENIHFKCSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@@H]1C[C@H]([NH+](C)CCOC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000123458528 1121577884 /nfs/dbraw/zinc/57/78/84/1121577884.db2.gz DOZOKASRVSEEGR-DENIHFKCSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@@H]1C[C@H]([N@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123458528 1121577889 /nfs/dbraw/zinc/57/78/89/1121577889.db2.gz DOZOKASRVSEEGR-DENIHFKCSA-N 2 1 352.522 4.207 20 0 FIADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000123458528 1121577893 /nfs/dbraw/zinc/57/78/93/1121577893.db2.gz DOZOKASRVSEEGR-DENIHFKCSA-N 2 1 352.522 4.207 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[C@H]2CCC[C@H]21 ZINC000671740216 1121643079 /nfs/dbraw/zinc/64/30/79/1121643079.db2.gz TXSPYKUIHGZFPZ-ULXLPNHUSA-N 2 1 372.397 4.358 20 0 FIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744585 1121649532 /nfs/dbraw/zinc/64/95/32/1121649532.db2.gz NMBVCNQCXCYIOX-FUHWJXTLSA-N 2 1 365.477 4.096 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1(C)C ZINC001649090727 1121717395 /nfs/dbraw/zinc/71/73/95/1121717395.db2.gz KKKUSNTUEOQRGJ-QHCPKHFHSA-N 3 1 371.613 4.184 20 0 FIADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1(C)C ZINC001649090727 1121717403 /nfs/dbraw/zinc/71/74/03/1121717403.db2.gz KKKUSNTUEOQRGJ-QHCPKHFHSA-N 2 1 371.613 4.184 20 0 FIADMP C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843055951 1121723695 /nfs/dbraw/zinc/72/36/95/1121723695.db2.gz SPNMCTGDCUHYAN-UHFFFAOYSA-N 2 1 365.237 4.170 20 0 FIADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000125077709 1121745254 /nfs/dbraw/zinc/74/52/54/1121745254.db2.gz UWYIXZHYWQLZKZ-GAJHUEQPSA-N 2 1 350.506 4.498 20 0 FIADMP CN1Cc2ccccc2[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000671754173 1121749846 /nfs/dbraw/zinc/74/98/46/1121749846.db2.gz CCCBZDNZYSSASE-UBVWURDFSA-N 2 1 363.549 4.206 20 0 FIADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1(C)C ZINC001649095861 1121755029 /nfs/dbraw/zinc/75/50/29/1121755029.db2.gz IBWWOABDZNRWBG-PMACEKPBSA-N 2 1 363.977 4.157 20 0 FIADMP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000125224932 1121758768 /nfs/dbraw/zinc/75/87/68/1121758768.db2.gz QSSXFTRFSDTZMA-UHFFFAOYSA-N 2 1 368.521 4.287 20 0 FIADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000125224932 1121758776 /nfs/dbraw/zinc/75/87/76/1121758776.db2.gz QSSXFTRFSDTZMA-UHFFFAOYSA-N 2 1 368.521 4.287 20 0 FIADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CCCOC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000671764652 1121798557 /nfs/dbraw/zinc/79/85/57/1121798557.db2.gz POEHMTIZTAIABC-HQRMLTQVSA-N 2 1 352.950 4.170 20 0 FIADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)cs1 ZINC000111397329 1121959497 /nfs/dbraw/zinc/95/94/97/1121959497.db2.gz BNECAEJVHNNJGJ-KXBFYZLASA-N 2 1 373.566 4.424 20 0 FIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000126709608 1121978861 /nfs/dbraw/zinc/97/88/61/1121978861.db2.gz HFOBAWUCHLIZMF-PGRDOPGGSA-N 2 1 372.553 4.114 20 0 FIADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(Cl)cccc3Br)C2)CC1 ZINC001137815220 1121988585 /nfs/dbraw/zinc/98/85/85/1121988585.db2.gz CCRGOJGFNGANNE-UHFFFAOYSA-N 2 1 357.723 4.020 20 0 FIADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3cc(F)ccc3F)cc2)C1 ZINC000917007718 1121999677 /nfs/dbraw/zinc/99/96/77/1121999677.db2.gz AUISTQCXZGVBRZ-ZHRRBRCNSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000917008227 1122000258 /nfs/dbraw/zinc/00/02/58/1122000258.db2.gz HKXZEZNXUSBREA-KSFYIVLOSA-N 2 1 374.475 4.162 20 0 FIADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3F)cc2)C1 ZINC000917009117 1122001447 /nfs/dbraw/zinc/00/14/47/1122001447.db2.gz XXUBUMVOUICRDY-AOMKIAJQSA-N 2 1 374.475 4.020 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126836885 1122015559 /nfs/dbraw/zinc/01/55/59/1122015559.db2.gz CRFSNDLUTXDSDK-IRXDYDNUSA-N 2 1 372.534 4.082 20 0 FIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126836885 1122015568 /nfs/dbraw/zinc/01/55/68/1122015568.db2.gz CRFSNDLUTXDSDK-IRXDYDNUSA-N 2 1 372.534 4.082 20 0 FIADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000127290480 1122074377 /nfs/dbraw/zinc/07/43/77/1122074377.db2.gz DSZZZBYLDGQBKT-IAGOWNOFSA-N 2 1 359.489 4.281 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000066594205 1122077757 /nfs/dbraw/zinc/07/77/57/1122077757.db2.gz CTJWJCCUUIJQNS-MRXNPFEDSA-N 2 1 374.960 4.390 20 0 FIADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000127364199 1122085426 /nfs/dbraw/zinc/08/54/26/1122085426.db2.gz POJMAWBXGWWZHD-JOCHJYFZSA-N 2 1 356.554 4.165 20 0 FIADMP CC(C)O[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1(C)C ZINC000765811266 1122096469 /nfs/dbraw/zinc/09/64/69/1122096469.db2.gz OYPXDXXOUHPLRU-YADHBBJMSA-N 2 1 373.585 4.469 20 0 FIADMP Cn1ccnc1[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000127602890 1122125065 /nfs/dbraw/zinc/12/50/65/1122125065.db2.gz AQSBUMVGIXBUTN-JOCHJYFZSA-N 2 1 366.553 4.426 20 0 FIADMP Cn1ccnc1[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000127602890 1122125069 /nfs/dbraw/zinc/12/50/69/1122125069.db2.gz AQSBUMVGIXBUTN-JOCHJYFZSA-N 2 1 366.553 4.426 20 0 FIADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618090 1122150746 /nfs/dbraw/zinc/15/07/46/1122150746.db2.gz VVBLRHJCZZXXIS-FUPPJEDESA-N 2 1 372.553 4.160 20 0 FIADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)CCO2)cc1 ZINC001168618090 1122150752 /nfs/dbraw/zinc/15/07/52/1122150752.db2.gz VVBLRHJCZZXXIS-FUPPJEDESA-N 2 1 372.553 4.160 20 0 FIADMP COc1cc(C)c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000128091861 1122189877 /nfs/dbraw/zinc/18/98/77/1122189877.db2.gz CEWCOJMLKYKWQN-KRWDZBQOSA-N 2 1 369.509 4.035 20 0 FIADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000128292890 1122226643 /nfs/dbraw/zinc/22/66/43/1122226643.db2.gz NXRXRSZAGUXMQR-GOSISDBHSA-N 2 1 358.357 4.062 20 0 FIADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000917437564 1122304585 /nfs/dbraw/zinc/30/45/85/1122304585.db2.gz OPRRZQZVGJKRLR-UHFFFAOYSA-N 2 1 368.550 4.415 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000556059636 1122628908 /nfs/dbraw/zinc/62/89/08/1122628908.db2.gz UMBYBLSCYIMBPV-SKWRMQMOSA-N 2 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059636 1122628912 /nfs/dbraw/zinc/62/89/12/1122628912.db2.gz UMBYBLSCYIMBPV-SKWRMQMOSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059636 1122628915 /nfs/dbraw/zinc/62/89/15/1122628915.db2.gz UMBYBLSCYIMBPV-SKWRMQMOSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059636 1122628916 /nfs/dbraw/zinc/62/89/16/1122628916.db2.gz UMBYBLSCYIMBPV-SKWRMQMOSA-N 3 1 357.586 4.170 20 0 FIADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000556059636 1122628920 /nfs/dbraw/zinc/62/89/20/1122628920.db2.gz UMBYBLSCYIMBPV-SKWRMQMOSA-N 3 1 357.586 4.170 20 0 FIADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)oc1C ZINC000129853594 1122704639 /nfs/dbraw/zinc/70/46/39/1122704639.db2.gz BGXBKYTWXFTWQN-IAGOWNOFSA-N 2 1 373.463 4.214 20 0 FIADMP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2)c1 ZINC000556190149 1122722160 /nfs/dbraw/zinc/72/21/60/1122722160.db2.gz NYBNSVWABFBCMM-UHFFFAOYSA-N 2 1 370.493 4.072 20 0 FIADMP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194907 1122726470 /nfs/dbraw/zinc/72/64/70/1122726470.db2.gz IQIUTQATWIXTPW-GMKZXUHWSA-N 2 1 364.533 4.290 20 0 FIADMP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000556194907 1122726475 /nfs/dbraw/zinc/72/64/75/1122726475.db2.gz IQIUTQATWIXTPW-GMKZXUHWSA-N 2 1 364.533 4.290 20 0 FIADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000556206164 1122730163 /nfs/dbraw/zinc/73/01/63/1122730163.db2.gz JMVYHEHHVBDSLL-IRXDYDNUSA-N 2 1 372.532 4.086 20 0 FIADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556232850 1122749553 /nfs/dbraw/zinc/74/95/53/1122749553.db2.gz LGNIDBIDOUUSCD-VSKRKVRLSA-N 2 1 356.554 4.084 20 0 FIADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCC[C@@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233543 1122751538 /nfs/dbraw/zinc/75/15/38/1122751538.db2.gz QJHWRGCRBSRDQZ-YTFSRNRJSA-N 2 1 368.565 4.084 20 0 FIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000556237257 1122754436 /nfs/dbraw/zinc/75/44/36/1122754436.db2.gz BSQIKTJAEZGEFC-QFIPXVFZSA-N 3 1 372.532 4.174 20 0 FIADMP CSc1ccc([C@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000556259525 1122769843 /nfs/dbraw/zinc/76/98/43/1122769843.db2.gz CPRQQOHFECHGMB-NRFANRHFSA-N 2 1 361.599 4.008 20 0 FIADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498950197 1123101497 /nfs/dbraw/zinc/10/14/97/1123101497.db2.gz HKVVVBIHEWVJHH-NRFANRHFSA-N 2 1 360.517 4.241 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000556884301 1123160623 /nfs/dbraw/zinc/16/06/23/1123160623.db2.gz BEVFGOHELKVMON-NJYVYQBISA-N 2 1 352.526 4.340 20 0 FIADMP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000556884301 1123160626 /nfs/dbraw/zinc/16/06/26/1123160626.db2.gz BEVFGOHELKVMON-NJYVYQBISA-N 2 1 352.526 4.340 20 0 FIADMP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000499148767 1123293577 /nfs/dbraw/zinc/29/35/77/1123293577.db2.gz DOJJNUPSXXVEJD-UAAMJZOTSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000499148767 1123293581 /nfs/dbraw/zinc/29/35/81/1123293581.db2.gz DOJJNUPSXXVEJD-UAAMJZOTSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000499148767 1123293584 /nfs/dbraw/zinc/29/35/84/1123293584.db2.gz DOJJNUPSXXVEJD-UAAMJZOTSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000499148763 1123293602 /nfs/dbraw/zinc/29/36/02/1123293602.db2.gz DOJJNUPSXXVEJD-GTWWNFFPSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000499148763 1123293603 /nfs/dbraw/zinc/29/36/03/1123293603.db2.gz DOJJNUPSXXVEJD-GTWWNFFPSA-N 2 1 355.570 4.035 20 0 FIADMP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000499148763 1123293605 /nfs/dbraw/zinc/29/36/05/1123293605.db2.gz DOJJNUPSXXVEJD-GTWWNFFPSA-N 2 1 355.570 4.035 20 0 FIADMP COc1ccc(C)cc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499150702 1123293874 /nfs/dbraw/zinc/29/38/74/1123293874.db2.gz JTQLNVCMLPNTGT-WBDAEOGXSA-N 2 1 364.533 4.331 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000074223244 1123316645 /nfs/dbraw/zinc/31/66/45/1123316645.db2.gz SHMSNQMJROAGTF-SFHVURJKSA-N 2 1 368.525 4.267 20 0 FIADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000074223244 1123316649 /nfs/dbraw/zinc/31/66/49/1123316649.db2.gz SHMSNQMJROAGTF-SFHVURJKSA-N 2 1 368.525 4.267 20 0 FIADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237552280 1123639370 /nfs/dbraw/zinc/63/93/70/1123639370.db2.gz MRFDVIZLHGCYMK-HNNXBMFYSA-N 2 1 359.901 4.022 20 0 FIADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)Nc1ccccc1 ZINC000615314853 1123988818 /nfs/dbraw/zinc/98/88/18/1123988818.db2.gz JAUCWYQIEPJIPO-RTBURBONSA-N 2 1 365.521 4.178 20 0 FIADMP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000615456759 1124016100 /nfs/dbraw/zinc/01/61/00/1124016100.db2.gz WGWIQZHDFRNXRO-CQSZACIVSA-N 2 1 357.325 4.099 20 0 FIADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000245624418 1124149084 /nfs/dbraw/zinc/14/90/84/1124149084.db2.gz PQUFWWGVJLYTOD-MEBIHWHUSA-N 2 1 360.567 4.068 20 0 FIADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[C@H]1c1cccs1 ZINC000245624418 1124149087 /nfs/dbraw/zinc/14/90/87/1124149087.db2.gz PQUFWWGVJLYTOD-MEBIHWHUSA-N 2 1 360.567 4.068 20 0 FIADMP CO[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000245701840 1124210266 /nfs/dbraw/zinc/21/02/66/1124210266.db2.gz LTTQEEFKZGSJQS-BXXSPATCSA-N 2 1 368.496 4.298 20 0 FIADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474598283 1124216902 /nfs/dbraw/zinc/21/69/02/1124216902.db2.gz KQQQNQVHQDQRTG-GSXDDRDBSA-N 2 1 364.496 4.223 20 0 FIADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000180106145 1124228133 /nfs/dbraw/zinc/22/81/33/1124228133.db2.gz JSNSZOWWXUAFAC-LQCXBHPOSA-N 2 1 370.924 4.159 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756732 1124241503 /nfs/dbraw/zinc/24/15/03/1124241503.db2.gz UXRRVHFVQYUEJX-XQUALCHDSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756732 1124241506 /nfs/dbraw/zinc/24/15/06/1124241506.db2.gz UXRRVHFVQYUEJX-XQUALCHDSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756732 1124241508 /nfs/dbraw/zinc/24/15/08/1124241508.db2.gz UXRRVHFVQYUEJX-XQUALCHDSA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756732 1124241513 /nfs/dbraw/zinc/24/15/13/1124241513.db2.gz UXRRVHFVQYUEJX-XQUALCHDSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756732 1124241517 /nfs/dbraw/zinc/24/15/17/1124241517.db2.gz UXRRVHFVQYUEJX-XQUALCHDSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756732 1124241520 /nfs/dbraw/zinc/24/15/20/1124241520.db2.gz UXRRVHFVQYUEJX-XQUALCHDSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756732 1124241523 /nfs/dbraw/zinc/24/15/23/1124241523.db2.gz UXRRVHFVQYUEJX-XQUALCHDSA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756726 1124241580 /nfs/dbraw/zinc/24/15/80/1124241580.db2.gz UXRRVHFVQYUEJX-NEWJYFPISA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756726 1124241582 /nfs/dbraw/zinc/24/15/82/1124241582.db2.gz UXRRVHFVQYUEJX-NEWJYFPISA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756726 1124241586 /nfs/dbraw/zinc/24/15/86/1124241586.db2.gz UXRRVHFVQYUEJX-NEWJYFPISA-N 2 1 369.597 4.140 20 0 FIADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756726 1124241593 /nfs/dbraw/zinc/24/15/93/1124241593.db2.gz UXRRVHFVQYUEJX-NEWJYFPISA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245756726 1124241597 /nfs/dbraw/zinc/24/15/97/1124241597.db2.gz UXRRVHFVQYUEJX-NEWJYFPISA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245756726 1124241601 /nfs/dbraw/zinc/24/16/01/1124241601.db2.gz UXRRVHFVQYUEJX-NEWJYFPISA-N 3 1 369.597 4.140 20 0 FIADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245756726 1124241607 /nfs/dbraw/zinc/24/16/07/1124241607.db2.gz UXRRVHFVQYUEJX-NEWJYFPISA-N 3 1 369.597 4.140 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000542841640 1124435514 /nfs/dbraw/zinc/43/55/14/1124435514.db2.gz MDRZBOBGOLEZQJ-UIFIKXQLSA-N 2 1 354.542 4.150 20 0 FIADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000542841640 1124435520 /nfs/dbraw/zinc/43/55/20/1124435520.db2.gz MDRZBOBGOLEZQJ-UIFIKXQLSA-N 2 1 354.542 4.150 20 0 FIADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246296218 1124438219 /nfs/dbraw/zinc/43/82/19/1124438219.db2.gz CTIHQGANNQOVFK-FFZOFVMBSA-N 2 1 362.583 4.217 20 0 FIADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000542846540 1124442116 /nfs/dbraw/zinc/44/21/16/1124442116.db2.gz MMANULMQIAYGLM-AVRDEDQJSA-N 2 1 370.512 4.250 20 0 FIADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000542846552 1124442321 /nfs/dbraw/zinc/44/23/21/1124442321.db2.gz MMANULMQIAYGLM-GCJKJVERSA-N 2 1 370.512 4.250 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2c(s1)CCCC2 ZINC000542845583 1124446656 /nfs/dbraw/zinc/44/66/56/1124446656.db2.gz DAVXVJDWKWCNOP-OXJNMPFZSA-N 2 1 370.562 4.044 20 0 FIADMP c1nc(-c2ccccc2)sc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246566817 1124534561 /nfs/dbraw/zinc/53/45/61/1124534561.db2.gz LFBFORKDVYWEBR-PXNSSMCTSA-N 2 1 353.535 4.259 20 0 FIADMP c1nc(-c2ccccc2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246566817 1124534579 /nfs/dbraw/zinc/53/45/79/1124534579.db2.gz LFBFORKDVYWEBR-PXNSSMCTSA-N 2 1 353.535 4.259 20 0 FIADMP c1nc(-c2ccccc2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246566817 1124534587 /nfs/dbraw/zinc/53/45/87/1124534587.db2.gz LFBFORKDVYWEBR-PXNSSMCTSA-N 2 1 353.535 4.259 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC001168662270 1124562365 /nfs/dbraw/zinc/56/23/65/1124562365.db2.gz DODNCVJDCFUZEH-KGSLCBSSSA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC001168662270 1124562371 /nfs/dbraw/zinc/56/23/71/1124562371.db2.gz DODNCVJDCFUZEH-KGSLCBSSSA-N 2 1 372.553 4.254 20 0 FIADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)CCO2)cc1 ZINC001168662270 1124562379 /nfs/dbraw/zinc/56/23/79/1124562379.db2.gz DODNCVJDCFUZEH-KGSLCBSSSA-N 2 1 372.553 4.254 20 0 FIADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1)C1CC1 ZINC000072839911 1124576498 /nfs/dbraw/zinc/57/64/98/1124576498.db2.gz JBUFJSYWNXFCCR-UHFFFAOYSA-N 2 1 365.521 4.293 20 0 FIADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(Br)c2C)CC1 ZINC001236609954 1124584982 /nfs/dbraw/zinc/58/49/82/1124584982.db2.gz YJQKOWKUQAIYIG-UHFFFAOYSA-N 2 1 353.348 4.454 20 0 FIADMP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000247375957 1124705631 /nfs/dbraw/zinc/70/56/31/1124705631.db2.gz SRBNBPRDFAMYGZ-CEXWTWQISA-N 2 1 368.521 4.155 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)c(F)c2)[C@@H](C)C1 ZINC000247969027 1124735012 /nfs/dbraw/zinc/73/50/12/1124735012.db2.gz HBUJSOUOFGADAX-BXWFABGCSA-N 2 1 368.562 4.335 20 0 FIADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)[C@H](C)C1 ZINC000248066029 1124740207 /nfs/dbraw/zinc/74/02/07/1124740207.db2.gz MGCRAZDFUQKPPQ-NUJGCVRESA-N 2 1 361.555 4.084 20 0 FIADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)s1 ZINC000248432659 1124767211 /nfs/dbraw/zinc/76/72/11/1124767211.db2.gz COTXKUFKHXLLSY-YOEHRIQHSA-N 2 1 364.942 4.209 20 0 FIADMP C[N@@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000515880458 1124828866 /nfs/dbraw/zinc/82/88/66/1124828866.db2.gz QZFRCNDZCYUNPK-WYZYGFAWSA-N 2 1 350.506 4.159 20 0 FIADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000515880458 1124828878 /nfs/dbraw/zinc/82/88/78/1124828878.db2.gz QZFRCNDZCYUNPK-WYZYGFAWSA-N 2 1 350.506 4.159 20 0 FIADMP Cc1nc2ccccc2nc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476976118 1125004469 /nfs/dbraw/zinc/00/44/69/1125004469.db2.gz VNIPEFBUZKDWAY-GOSISDBHSA-N 2 1 366.553 4.415 20 0 FIADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1SC ZINC000090586543 1125006098 /nfs/dbraw/zinc/00/60/98/1125006098.db2.gz TXCKMGQWZMOVDN-IRXDYDNUSA-N 2 1 350.572 4.436 20 0 FIADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000090937266 1125028190 /nfs/dbraw/zinc/02/81/90/1125028190.db2.gz NGBPBELWIIYDIP-ZDUSSCGKSA-N 2 1 368.308 4.180 20 0 FIADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091285234 1125062644 /nfs/dbraw/zinc/06/26/44/1125062644.db2.gz UCILQVPENLXBLY-KRWDZBQOSA-N 2 1 350.510 4.264 20 0 FIADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091285234 1125062652 /nfs/dbraw/zinc/06/26/52/1125062652.db2.gz UCILQVPENLXBLY-KRWDZBQOSA-N 2 1 350.510 4.264 20 0 FIADMP COc1ccc(COCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000091741070 1125090803 /nfs/dbraw/zinc/09/08/03/1125090803.db2.gz QUSFPOVVWSUMNL-QGZVFWFLSA-N 2 1 365.477 4.057 20 0 FIADMP COc1ccc(COCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000091741072 1125091356 /nfs/dbraw/zinc/09/13/56/1125091356.db2.gz QUSFPOVVWSUMNL-KRWDZBQOSA-N 2 1 365.477 4.057 20 0 FIADMP Cc1cc([C@H]2CCC[N@H+]2CCCCC[NH+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000077265781 1125161991 /nfs/dbraw/zinc/16/19/91/1125161991.db2.gz ZYUXUMCISUTDQP-KDURUIRLSA-N 2 1 372.513 4.424 20 0 FIADMP Cc1cc([C@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000077265781 1125161997 /nfs/dbraw/zinc/16/19/97/1125161997.db2.gz ZYUXUMCISUTDQP-KDURUIRLSA-N 2 1 372.513 4.424 20 0 FIADMP Cc1cc([C@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000077265781 1125162006 /nfs/dbraw/zinc/16/20/06/1125162006.db2.gz ZYUXUMCISUTDQP-KDURUIRLSA-N 2 1 372.513 4.424 20 0 FIADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Oc1cccnc1 ZINC000093597791 1125452834 /nfs/dbraw/zinc/45/28/34/1125452834.db2.gz AZWBNOSLHDCZJN-FQEVSTJZSA-N 2 1 351.494 4.100 20 0 FIADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Oc1cccnc1 ZINC000093597791 1125452838 /nfs/dbraw/zinc/45/28/38/1125452838.db2.gz AZWBNOSLHDCZJN-FQEVSTJZSA-N 2 1 351.494 4.100 20 0 FIADMP c1cc(CNc2nc(N3CCCC3)cc[nH+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000603386201 568094615 /nfs/dbraw/zinc/09/46/15/568094615.db2.gz LGAOMEOTDFAOMQ-UHFFFAOYSA-N 2 1 365.525 4.065 20 0 FIADMP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563120758 568222009 /nfs/dbraw/zinc/22/20/09/568222009.db2.gz HVGVJRHIMCTLJZ-JOCHJYFZSA-N 2 1 350.506 4.120 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224804 /nfs/dbraw/zinc/22/48/04/568224804.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224805 /nfs/dbraw/zinc/22/48/05/568224805.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224806 /nfs/dbraw/zinc/22/48/06/568224806.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 2 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224807 /nfs/dbraw/zinc/22/48/07/568224807.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 3 1 355.570 4.038 20 0 FIADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224808 /nfs/dbraw/zinc/22/48/08/568224808.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 3 1 355.570 4.038 20 0 FIADMP COc1cc2c[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)cc2cc1OC ZINC001165047389 721976652 /nfs/dbraw/zinc/97/66/52/721976652.db2.gz FYTOELJUKFXZKC-LJQANCHMSA-N 2 1 369.509 4.097 20 0 FIADMP