smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000051761889 1073842602 /nfs/dbraw/zinc/84/26/02/1073842602.db2.gz SZSDFGAGNIKRFR-QGZVFWFLSA-N 2 1 383.537 -0.835 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000051761891 1073842440 /nfs/dbraw/zinc/84/24/40/1073842440.db2.gz SZSDFGAGNIKRFR-KRWDZBQOSA-N 2 1 383.537 -0.835 20 0 GBADMP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069505927 1073578111 /nfs/dbraw/zinc/57/81/11/1073578111.db2.gz NFUYVWPZHSTWGA-QGZVFWFLSA-N 2 1 383.537 -0.069 20 0 GBADMP C[NH+]1CCN(c2ncc(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)cn2)CC1 ZINC000093047003 1073331386 /nfs/dbraw/zinc/33/13/86/1073331386.db2.gz RHPUPAZPSULQEO-UHFFFAOYSA-N 2 1 387.532 -0.032 20 0 GBADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000103303108 1073472740 /nfs/dbraw/zinc/47/27/40/1073472740.db2.gz UCIUKERPISFUCK-UHFFFAOYSA-N 2 1 394.564 -0.038 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000109393391 1072233720 /nfs/dbraw/zinc/23/37/20/1072233720.db2.gz CYBGWSMUSXZSRA-UHFFFAOYSA-N 2 1 382.553 -0.136 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119220830 1073934418 /nfs/dbraw/zinc/93/44/18/1073934418.db2.gz LSYXOOLPGKKFSH-ROUUACIJSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119220830 1073934413 /nfs/dbraw/zinc/93/44/13/1073934413.db2.gz LSYXOOLPGKKFSH-ROUUACIJSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119220830 1073934409 /nfs/dbraw/zinc/93/44/09/1073934409.db2.gz LSYXOOLPGKKFSH-ROUUACIJSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119220945 1073448985 /nfs/dbraw/zinc/44/89/85/1073448985.db2.gz LSYXOOLPGKKFSH-MSOLQXFVSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119220945 1073448981 /nfs/dbraw/zinc/44/89/81/1073448981.db2.gz LSYXOOLPGKKFSH-MSOLQXFVSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119220945 1073448977 /nfs/dbraw/zinc/44/89/77/1073448977.db2.gz LSYXOOLPGKKFSH-MSOLQXFVSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119221051 1073934742 /nfs/dbraw/zinc/93/47/42/1073934742.db2.gz LSYXOOLPGKKFSH-ZWKOTPCHSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119221051 1073934733 /nfs/dbraw/zinc/93/47/33/1073934733.db2.gz LSYXOOLPGKKFSH-ZWKOTPCHSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119221051 1073934724 /nfs/dbraw/zinc/93/47/24/1073934724.db2.gz LSYXOOLPGKKFSH-ZWKOTPCHSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119221162 1073449179 /nfs/dbraw/zinc/44/91/79/1073449179.db2.gz LSYXOOLPGKKFSH-QZTJIDSGSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CN1CC[NH+](C)CC1 ZINC000119221162 1073449164 /nfs/dbraw/zinc/44/91/64/1073449164.db2.gz LSYXOOLPGKKFSH-QZTJIDSGSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119221162 1073449151 /nfs/dbraw/zinc/44/91/51/1073449151.db2.gz LSYXOOLPGKKFSH-QZTJIDSGSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000139177153 1072302689 /nfs/dbraw/zinc/30/26/89/1072302689.db2.gz SZOVPWDDEBIHTH-IRXDYDNUSA-N 2 1 380.537 -0.430 20 0 GBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000139177267 1072302836 /nfs/dbraw/zinc/30/28/36/1072302836.db2.gz SZOVPWDDEBIHTH-SJORKVTESA-N 2 1 380.537 -0.430 20 0 GBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000139177371 1072302439 /nfs/dbraw/zinc/30/24/39/1072302439.db2.gz SZOVPWDDEBIHTH-DLBZAZTESA-N 2 1 380.537 -0.430 20 0 GBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000139177475 1072302626 /nfs/dbraw/zinc/30/26/26/1072302626.db2.gz SZOVPWDDEBIHTH-IAGOWNOFSA-N 2 1 380.537 -0.430 20 0 GBADMP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000179284846 1073864863 /nfs/dbraw/zinc/86/48/63/1073864863.db2.gz NWHFCSWGTRXALS-GOSISDBHSA-N 2 1 394.564 -0.040 20 0 GBADMP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000179284854 1073864735 /nfs/dbraw/zinc/86/47/35/1073864735.db2.gz NWHFCSWGTRXALS-SFHVURJKSA-N 2 1 394.564 -0.040 20 0 GBADMP OC(CN1CC[C@H](C[NH+]2CCOCC2)C1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000181800950 1073870563 /nfs/dbraw/zinc/87/05/63/1073870563.db2.gz SJQANCWCNIKPJB-WOJBJXKFSA-N 2 1 396.576 -0.345 20 0 GBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000186146259 1073205708 /nfs/dbraw/zinc/20/57/08/1073205708.db2.gz VVZBUGPVHQEHFP-SFHVURJKSA-N 2 1 394.564 -0.038 20 0 GBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000186146282 1073205943 /nfs/dbraw/zinc/20/59/43/1073205943.db2.gz VVZBUGPVHQEHFP-GOSISDBHSA-N 2 1 394.564 -0.038 20 0 GBADMP CN1CC[NH+](CC2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000192150053 1073892492 /nfs/dbraw/zinc/89/24/92/1073892492.db2.gz FFKVVTUPJGEYKD-UHFFFAOYSA-N 2 1 394.564 -0.181 20 0 GBADMP O=C(C[C@@]1(C(=O)N2CCN(C3CC3)CC2)CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000238075111 1072427911 /nfs/dbraw/zinc/42/79/11/1072427911.db2.gz ATBFWIWDVHVPPM-NRFANRHFSA-N 2 1 389.544 -0.031 20 0 GBADMP O=C(C[C@]1(C(=O)N2CCN(C3CC3)CC2)CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000238102307 1072429193 /nfs/dbraw/zinc/42/91/93/1072429193.db2.gz ATBFWIWDVHVPPM-OAQYLSRUSA-N 2 1 389.544 -0.031 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255907766 1072977946 /nfs/dbraw/zinc/97/79/46/1072977946.db2.gz OMEJQQHZSYZANZ-DOOKAGJSSA-N 2 1 391.516 -0.028 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255907768 1072977819 /nfs/dbraw/zinc/97/78/19/1072977819.db2.gz OMEJQQHZSYZANZ-IBSYWUHOSA-N 2 1 391.516 -0.028 20 0 GBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000263074230 1073977061 /nfs/dbraw/zinc/97/70/61/1073977061.db2.gz CEZCXNIHHDIWBB-QAPCUYQASA-N 2 1 376.505 -0.192 20 0 GBADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000263074242 1073977116 /nfs/dbraw/zinc/97/71/16/1073977116.db2.gz CEZCXNIHHDIWBB-YJBOKZPZSA-N 2 1 376.505 -0.192 20 0 GBADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000274498316 1072124378 /nfs/dbraw/zinc/12/43/78/1072124378.db2.gz URGGVLPAPFYMPJ-UHFFFAOYSA-N 2 1 379.461 -0.444 20 0 GBADMP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000274498316 1072124370 /nfs/dbraw/zinc/12/43/70/1072124370.db2.gz URGGVLPAPFYMPJ-UHFFFAOYSA-N 2 1 379.461 -0.444 20 0 GBADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000275405387 1072280066 /nfs/dbraw/zinc/28/00/66/1072280066.db2.gz JMKWEJMAGZSRPJ-UHFFFAOYSA-N 2 1 389.500 -0.038 20 0 GBADMP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275911958 1072471262 /nfs/dbraw/zinc/47/12/62/1072471262.db2.gz RICASHFTMJGSOI-UHFFFAOYSA-N 2 1 379.461 -0.133 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984669 1072498171 /nfs/dbraw/zinc/49/81/71/1072498171.db2.gz IXUSLOHYLUVFKR-AWEZNQCLSA-N 2 1 390.488 -0.007 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984672 1072498335 /nfs/dbraw/zinc/49/83/35/1072498335.db2.gz IXUSLOHYLUVFKR-CQSZACIVSA-N 2 1 390.488 -0.007 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109193 1072561131 /nfs/dbraw/zinc/56/11/31/1072561131.db2.gz XJRXJPJUDXPYST-HNNXBMFYSA-N 2 1 393.492 -0.819 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109195 1072561660 /nfs/dbraw/zinc/56/16/60/1072561660.db2.gz XJRXJPJUDXPYST-OAHLLOKOSA-N 2 1 393.492 -0.819 20 0 GBADMP C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000278223405 1072456272 /nfs/dbraw/zinc/45/62/72/1072456272.db2.gz LTEDTMYKQCBHMP-HNNXBMFYSA-N 2 1 383.518 -0.010 20 0 GBADMP C[C@H](C(=O)N(C)C)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000278223408 1072457053 /nfs/dbraw/zinc/45/70/53/1072457053.db2.gz LTEDTMYKQCBHMP-OAHLLOKOSA-N 2 1 383.518 -0.010 20 0 GBADMP CN(CCC[N@@H+](C)CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH+](C)C ZINC000289353507 1072802993 /nfs/dbraw/zinc/80/29/93/1072802993.db2.gz GMUKYHXJNYXFKN-UHFFFAOYSA-N 2 1 393.532 -0.018 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)[C@@H](C)C2)[NH+](C)C1 ZINC000328950930 1072218094 /nfs/dbraw/zinc/21/80/94/1072218094.db2.gz HPGHBBBPPJRAKS-WOYTXXSLSA-N 2 1 382.505 -0.516 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)[C@@H](C)C2)[NH+](C)C1 ZINC000328950930 1072218090 /nfs/dbraw/zinc/21/80/90/1072218090.db2.gz HPGHBBBPPJRAKS-WOYTXXSLSA-N 2 1 382.505 -0.516 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)C[C@@H]2C)[NH+](C)C1 ZINC000328950930 1072218085 /nfs/dbraw/zinc/21/80/85/1072218085.db2.gz HPGHBBBPPJRAKS-WOYTXXSLSA-N 2 1 382.505 -0.516 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)[C@H](C)C2)[NH+](C)C1 ZINC000329009407 1072255859 /nfs/dbraw/zinc/25/58/59/1072255859.db2.gz HPGHBBBPPJRAKS-XAJHFOFHSA-N 2 1 382.505 -0.516 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)[C@H](C)C2)[NH+](C)C1 ZINC000329009407 1072255850 /nfs/dbraw/zinc/25/58/50/1072255850.db2.gz HPGHBBBPPJRAKS-XAJHFOFHSA-N 2 1 382.505 -0.516 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)C[C@H]2C)[NH+](C)C1 ZINC000329009407 1072255841 /nfs/dbraw/zinc/25/58/41/1072255841.db2.gz HPGHBBBPPJRAKS-XAJHFOFHSA-N 2 1 382.505 -0.516 20 0 GBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC000329059222 1073346324 /nfs/dbraw/zinc/34/63/24/1073346324.db2.gz NAMPFXXYAFBLKR-BZSNNMDCSA-N 2 1 394.516 -0.369 20 0 GBADMP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC000329059222 1073346322 /nfs/dbraw/zinc/34/63/22/1073346322.db2.gz NAMPFXXYAFBLKR-BZSNNMDCSA-N 2 1 394.516 -0.369 20 0 GBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329059223 1073346706 /nfs/dbraw/zinc/34/67/06/1073346706.db2.gz NAMPFXXYAFBLKR-FGTMMUONSA-N 2 1 394.516 -0.369 20 0 GBADMP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329059223 1073346701 /nfs/dbraw/zinc/34/67/01/1073346701.db2.gz NAMPFXXYAFBLKR-FGTMMUONSA-N 2 1 394.516 -0.369 20 0 GBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@H]2C1 ZINC000329059224 1073346450 /nfs/dbraw/zinc/34/64/50/1073346450.db2.gz NAMPFXXYAFBLKR-OKZBNKHCSA-N 2 1 394.516 -0.369 20 0 GBADMP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@H]2C1 ZINC000329059224 1073346438 /nfs/dbraw/zinc/34/64/38/1073346438.db2.gz NAMPFXXYAFBLKR-OKZBNKHCSA-N 2 1 394.516 -0.369 20 0 GBADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329059225 1073346651 /nfs/dbraw/zinc/34/66/51/1073346651.db2.gz NAMPFXXYAFBLKR-SQNIBIBYSA-N 2 1 394.516 -0.369 20 0 GBADMP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329059225 1073346644 /nfs/dbraw/zinc/34/66/44/1073346644.db2.gz NAMPFXXYAFBLKR-SQNIBIBYSA-N 2 1 394.516 -0.369 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2C[C@@H](C)N(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)[C@@H](C)C2)[NH+](C)C1 ZINC000329064556 1072361911 /nfs/dbraw/zinc/36/19/11/1072361911.db2.gz ONOBQFZCKPQHEJ-COZGXFGHSA-N 2 1 396.532 -0.128 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2C[C@@H](C)N(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)[C@@H](C)C2)[NH+](C)C1 ZINC000329064556 1072361908 /nfs/dbraw/zinc/36/19/08/1072361908.db2.gz ONOBQFZCKPQHEJ-COZGXFGHSA-N 2 1 396.532 -0.128 20 0 GBADMP CO[C@H]1C[C@@H](C(=O)N2[C@H](C)CN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)C[C@@H]2C)[NH+](C)C1 ZINC000329064556 1072361904 /nfs/dbraw/zinc/36/19/04/1072361904.db2.gz ONOBQFZCKPQHEJ-COZGXFGHSA-N 2 1 396.532 -0.128 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000329868811 1073385293 /nfs/dbraw/zinc/38/52/93/1073385293.db2.gz XWUZMTXRICMLQS-IYBDPMFKSA-N 2 1 387.550 -0.504 20 0 GBADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)O3)C[C@H]2C1 ZINC000330296823 1073405586 /nfs/dbraw/zinc/40/55/86/1073405586.db2.gz GNSYMPSECBJWIQ-COYYTBTLSA-N 2 1 376.501 -0.426 20 0 GBADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)O3)C[C@H]2C1 ZINC000330296823 1073405581 /nfs/dbraw/zinc/40/55/81/1073405581.db2.gz GNSYMPSECBJWIQ-COYYTBTLSA-N 2 1 376.501 -0.426 20 0 GBADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)O3)C[C@H]2C1 ZINC000330296823 1073405579 /nfs/dbraw/zinc/40/55/79/1073405579.db2.gz GNSYMPSECBJWIQ-COYYTBTLSA-N 2 1 376.501 -0.426 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000332965008 1073939196 /nfs/dbraw/zinc/93/91/96/1073939196.db2.gz LCILNMGFFZQEOJ-DLBZAZTESA-N 2 1 381.521 -0.097 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000332965008 1073939191 /nfs/dbraw/zinc/93/91/91/1073939191.db2.gz LCILNMGFFZQEOJ-DLBZAZTESA-N 2 1 381.521 -0.097 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000332965010 1073938982 /nfs/dbraw/zinc/93/89/82/1073938982.db2.gz LCILNMGFFZQEOJ-IRXDYDNUSA-N 2 1 381.521 -0.097 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC000332965010 1073938976 /nfs/dbraw/zinc/93/89/76/1073938976.db2.gz LCILNMGFFZQEOJ-IRXDYDNUSA-N 2 1 381.521 -0.097 20 0 GBADMP C[NH+](C)[C@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCSC1 ZINC000333166224 530295871 /nfs/dbraw/zinc/29/58/71/530295871.db2.gz HKQWXAXUCQFYIZ-HNNXBMFYSA-N 2 1 391.563 -0.948 20 0 GBADMP C[NH+](C)[C@@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCSC1 ZINC000333166227 530295909 /nfs/dbraw/zinc/29/59/09/530295909.db2.gz HKQWXAXUCQFYIZ-OAHLLOKOSA-N 2 1 391.563 -0.948 20 0 GBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333543350 1072159467 /nfs/dbraw/zinc/15/94/67/1072159467.db2.gz JMTNYZXAEJRENI-HNNXBMFYSA-N 2 1 387.550 -0.264 20 0 GBADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333543350 1072159465 /nfs/dbraw/zinc/15/94/65/1072159465.db2.gz JMTNYZXAEJRENI-HNNXBMFYSA-N 2 1 387.550 -0.264 20 0 GBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333543351 1072159483 /nfs/dbraw/zinc/15/94/83/1072159483.db2.gz JMTNYZXAEJRENI-OAHLLOKOSA-N 2 1 387.550 -0.264 20 0 GBADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333543351 1072159478 /nfs/dbraw/zinc/15/94/78/1072159478.db2.gz JMTNYZXAEJRENI-OAHLLOKOSA-N 2 1 387.550 -0.264 20 0 GBADMP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC000349603849 530342532 /nfs/dbraw/zinc/34/25/32/530342532.db2.gz OCAHSAPLFGLOMJ-AWEZNQCLSA-N 2 1 390.531 -0.185 20 0 GBADMP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC000349603850 530342428 /nfs/dbraw/zinc/34/24/28/530342428.db2.gz OCAHSAPLFGLOMJ-CQSZACIVSA-N 2 1 390.531 -0.185 20 0 GBADMP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000361123041 530303356 /nfs/dbraw/zinc/30/33/56/530303356.db2.gz LYNOCXKZYPKTED-INIZCTEOSA-N 2 1 375.535 -0.183 20 0 GBADMP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000361123042 530303417 /nfs/dbraw/zinc/30/34/17/530303417.db2.gz LYNOCXKZYPKTED-MRXNPFEDSA-N 2 1 375.535 -0.183 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786749 530304307 /nfs/dbraw/zinc/30/43/07/530304307.db2.gz CFSNXWVVRCYRRI-GASCZTMLSA-N 2 1 396.579 -0.596 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786749 530304305 /nfs/dbraw/zinc/30/43/05/530304305.db2.gz CFSNXWVVRCYRRI-GASCZTMLSA-N 2 1 396.579 -0.596 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786749 530304303 /nfs/dbraw/zinc/30/43/03/530304303.db2.gz CFSNXWVVRCYRRI-GASCZTMLSA-N 2 1 396.579 -0.596 20 0 GBADMP CNS(=O)(=O)[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786750 530304293 /nfs/dbraw/zinc/30/42/93/530304293.db2.gz CFSNXWVVRCYRRI-GJZGRUSLSA-N 2 1 396.579 -0.596 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000362786751 530304107 /nfs/dbraw/zinc/30/41/07/530304107.db2.gz CFSNXWVVRCYRRI-HUUCEWRRSA-N 2 1 396.579 -0.596 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000363390336 1072498155 /nfs/dbraw/zinc/49/81/55/1072498155.db2.gz SLBNVYJKCIWZRD-SJORKVTESA-N 2 1 379.505 -0.201 20 0 GBADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000363919135 1073286485 /nfs/dbraw/zinc/28/64/85/1073286485.db2.gz GPKKQTRLHMAIPY-GOSISDBHSA-N 2 1 394.564 -0.040 20 0 GBADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000363919136 1073286136 /nfs/dbraw/zinc/28/61/36/1073286136.db2.gz GPKKQTRLHMAIPY-SFHVURJKSA-N 2 1 394.564 -0.040 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153415 /nfs/dbraw/zinc/15/34/15/530153415.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153413 /nfs/dbraw/zinc/15/34/13/530153413.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153410 /nfs/dbraw/zinc/15/34/10/530153410.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923267 530153432 /nfs/dbraw/zinc/15/34/32/530153432.db2.gz KXNYTHHAACKVOP-GJZGRUSLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000364923268 530153631 /nfs/dbraw/zinc/15/36/31/530153631.db2.gz KXNYTHHAACKVOP-HUUCEWRRSA-N 2 1 396.579 -0.338 20 0 GBADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367051769 1073290772 /nfs/dbraw/zinc/29/07/72/1073290772.db2.gz CWJXXNFSJMXLMN-MSOLQXFVSA-N 2 1 394.564 -0.182 20 0 GBADMP C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367051770 1073290760 /nfs/dbraw/zinc/29/07/60/1073290760.db2.gz CWJXXNFSJMXLMN-QZTJIDSGSA-N 2 1 394.564 -0.182 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407493 1073245832 /nfs/dbraw/zinc/24/58/32/1073245832.db2.gz GEQPAICVXRGCHO-FGTMMUONSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407494 1073245965 /nfs/dbraw/zinc/24/59/65/1073245965.db2.gz GEQPAICVXRGCHO-KZNAEPCWSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407495 1073245919 /nfs/dbraw/zinc/24/59/19/1073245919.db2.gz GEQPAICVXRGCHO-OKZBNKHCSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407496 1073245995 /nfs/dbraw/zinc/24/59/95/1073245995.db2.gz GEQPAICVXRGCHO-RCCFBDPRSA-N 2 1 377.533 -0.175 20 0 GBADMP CCS(=O)(=O)NCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368515955 530307353 /nfs/dbraw/zinc/30/73/53/530307353.db2.gz QIWSRQHDSIQUIM-HNNXBMFYSA-N 2 1 375.539 -0.264 20 0 GBADMP CCS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368515963 530307206 /nfs/dbraw/zinc/30/72/06/530307206.db2.gz QIWSRQHDSIQUIM-OAHLLOKOSA-N 2 1 375.539 -0.264 20 0 GBADMP CNS(=O)(=O)[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151792 530314567 /nfs/dbraw/zinc/31/45/67/530314567.db2.gz ZKYIXDJZVQXAJH-KBPBESRZSA-N 2 1 382.552 -0.986 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314670 /nfs/dbraw/zinc/31/46/70/530314670.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 2 1 382.552 -0.986 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314669 /nfs/dbraw/zinc/31/46/69/530314669.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 2 1 382.552 -0.986 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314667 /nfs/dbraw/zinc/31/46/67/530314667.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 2 1 382.552 -0.986 20 0 GBADMP CNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372151794 530314610 /nfs/dbraw/zinc/31/46/10/530314610.db2.gz ZKYIXDJZVQXAJH-ZIAGYGMSSA-N 2 1 382.552 -0.986 20 0 GBADMP CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000375738577 1072456356 /nfs/dbraw/zinc/45/63/56/1072456356.db2.gz PPRPRLVLJJAZLB-HNNXBMFYSA-N 2 1 387.550 -0.553 20 0 GBADMP CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000375738578 1072456442 /nfs/dbraw/zinc/45/64/42/1072456442.db2.gz PPRPRLVLJJAZLB-OAHLLOKOSA-N 2 1 387.550 -0.553 20 0 GBADMP CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000375742144 1072506529 /nfs/dbraw/zinc/50/65/29/1072506529.db2.gz LFEGPMZCHAYUOH-HNNXBMFYSA-N 2 1 392.504 0.003 20 0 GBADMP CCN1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956977 1072826852 /nfs/dbraw/zinc/82/68/52/1072826852.db2.gz FZGHWPFAZPKLNO-CVEARBPZSA-N 2 1 382.505 -0.417 20 0 GBADMP CCN1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956978 1072826463 /nfs/dbraw/zinc/82/64/63/1072826463.db2.gz FZGHWPFAZPKLNO-HOTGVXAUSA-N 2 1 382.505 -0.417 20 0 GBADMP CCN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956979 1072827062 /nfs/dbraw/zinc/82/70/62/1072827062.db2.gz FZGHWPFAZPKLNO-HZPDHXFCSA-N 2 1 382.505 -0.417 20 0 GBADMP CCN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC2)C1 ZINC000375956980 1072826386 /nfs/dbraw/zinc/82/63/86/1072826386.db2.gz FZGHWPFAZPKLNO-JKSUJKDBSA-N 2 1 382.505 -0.417 20 0 GBADMP CC(C)Nc1nc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)nc(NCCO)[nH+]1 ZINC000376176567 1072900699 /nfs/dbraw/zinc/90/06/99/1072900699.db2.gz XNWVKTSSFCKGQV-HNNXBMFYSA-N 2 1 378.525 -0.844 20 0 GBADMP CC(C)Nc1nc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc(NCCO)[nH+]1 ZINC000376176567 1072900694 /nfs/dbraw/zinc/90/06/94/1072900694.db2.gz XNWVKTSSFCKGQV-HNNXBMFYSA-N 2 1 378.525 -0.844 20 0 GBADMP CC(C)Nc1nc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)nc(NCCO)[nH+]1 ZINC000376176568 1072900632 /nfs/dbraw/zinc/90/06/32/1072900632.db2.gz XNWVKTSSFCKGQV-OAHLLOKOSA-N 2 1 378.525 -0.844 20 0 GBADMP CC(C)Nc1nc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc(NCCO)[nH+]1 ZINC000376176568 1072900622 /nfs/dbraw/zinc/90/06/22/1072900622.db2.gz XNWVKTSSFCKGQV-OAHLLOKOSA-N 2 1 378.525 -0.844 20 0 GBADMP COc1cnc(N2CCC[N@@H+](CCO)CC2)nc1N1CCC[NH+](CCO)CC1 ZINC000376223251 1072924288 /nfs/dbraw/zinc/92/42/88/1072924288.db2.gz VUWYEDULHPURCT-UHFFFAOYSA-N 2 1 394.520 -0.506 20 0 GBADMP COc1cnc(N2CCC[N@H+](CCO)CC2)nc1N1CCC[NH+](CCO)CC1 ZINC000376223251 1072924284 /nfs/dbraw/zinc/92/42/84/1072924284.db2.gz VUWYEDULHPURCT-UHFFFAOYSA-N 2 1 394.520 -0.506 20 0 GBADMP COc1cnc(N2CCC[NH+](CCO)CC2)nc1N1CCC[N@@H+](CCO)CC1 ZINC000376223251 1072924277 /nfs/dbraw/zinc/92/42/77/1072924277.db2.gz VUWYEDULHPURCT-UHFFFAOYSA-N 2 1 394.520 -0.506 20 0 GBADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599736 1073052954 /nfs/dbraw/zinc/05/29/54/1073052954.db2.gz LDUZWASBWXLFJV-GOSISDBHSA-N 2 1 396.580 -0.282 20 0 GBADMP C[NH+]1CCN(CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599736 1073052945 /nfs/dbraw/zinc/05/29/45/1073052945.db2.gz LDUZWASBWXLFJV-GOSISDBHSA-N 2 1 396.580 -0.282 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599736 1073052933 /nfs/dbraw/zinc/05/29/33/1073052933.db2.gz LDUZWASBWXLFJV-GOSISDBHSA-N 2 1 396.580 -0.282 20 0 GBADMP C[NH+]1CCN(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599737 1073053115 /nfs/dbraw/zinc/05/31/15/1073053115.db2.gz LDUZWASBWXLFJV-SFHVURJKSA-N 2 1 396.580 -0.282 20 0 GBADMP C[NH+]1CCN(CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599737 1073053107 /nfs/dbraw/zinc/05/31/07/1073053107.db2.gz LDUZWASBWXLFJV-SFHVURJKSA-N 2 1 396.580 -0.282 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599737 1073053102 /nfs/dbraw/zinc/05/31/02/1073053102.db2.gz LDUZWASBWXLFJV-SFHVURJKSA-N 2 1 396.580 -0.282 20 0 GBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000376762502 1073114680 /nfs/dbraw/zinc/11/46/80/1073114680.db2.gz CXWBLXPXIXVQKG-BZSNNMDCSA-N 2 1 383.537 -0.511 20 0 GBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000376762503 1073114550 /nfs/dbraw/zinc/11/45/50/1073114550.db2.gz CXWBLXPXIXVQKG-FGTMMUONSA-N 2 1 383.537 -0.511 20 0 GBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000376762504 1073114861 /nfs/dbraw/zinc/11/48/61/1073114861.db2.gz CXWBLXPXIXVQKG-OKZBNKHCSA-N 2 1 383.537 -0.511 20 0 GBADMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@H](C)C1 ZINC000376762505 1073114893 /nfs/dbraw/zinc/11/48/93/1073114893.db2.gz CXWBLXPXIXVQKG-SQNIBIBYSA-N 2 1 383.537 -0.511 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835297 1073119015 /nfs/dbraw/zinc/11/90/15/1073119015.db2.gz CEXUUQHPDYCHHG-DLBZAZTESA-N 2 1 384.521 -0.280 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835299 1073119235 /nfs/dbraw/zinc/11/92/35/1073119235.db2.gz CEXUUQHPDYCHHG-IAGOWNOFSA-N 2 1 384.521 -0.280 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835300 1073119099 /nfs/dbraw/zinc/11/90/99/1073119099.db2.gz CEXUUQHPDYCHHG-IRXDYDNUSA-N 2 1 384.521 -0.280 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835302 1073119075 /nfs/dbraw/zinc/11/90/75/1073119075.db2.gz CEXUUQHPDYCHHG-SJORKVTESA-N 2 1 384.521 -0.280 20 0 GBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000377225177 1073143713 /nfs/dbraw/zinc/14/37/13/1073143713.db2.gz SWNYKFFFDYGPHV-XYTVBORESA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000377225177 1073143709 /nfs/dbraw/zinc/14/37/09/1073143709.db2.gz SWNYKFFFDYGPHV-XYTVBORESA-N 2 1 381.521 -0.222 20 0 GBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000377645719 1073203405 /nfs/dbraw/zinc/20/34/05/1073203405.db2.gz JQBMIBDJVYJFKJ-GDBMZVCRSA-N 2 1 379.505 -0.663 20 0 GBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000377645727 1073203556 /nfs/dbraw/zinc/20/35/56/1073203556.db2.gz JQBMIBDJVYJFKJ-GOEBONIOSA-N 2 1 379.505 -0.663 20 0 GBADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000377645731 1073203518 /nfs/dbraw/zinc/20/35/18/1073203518.db2.gz JQBMIBDJVYJFKJ-HOCLYGCPSA-N 2 1 379.505 -0.663 20 0 GBADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000377645735 1073203787 /nfs/dbraw/zinc/20/37/87/1073203787.db2.gz JQBMIBDJVYJFKJ-ZBFHGGJFSA-N 2 1 379.505 -0.663 20 0 GBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695562 530324623 /nfs/dbraw/zinc/32/46/23/530324623.db2.gz QOWJXNALZUWNIB-CABCVRRESA-N 2 1 376.523 -0.917 20 0 GBADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695639 530324759 /nfs/dbraw/zinc/32/47/59/530324759.db2.gz QOWJXNALZUWNIB-GJZGRUSLSA-N 2 1 376.523 -0.917 20 0 GBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000377695640 530324912 /nfs/dbraw/zinc/32/49/12/530324912.db2.gz QOWJXNALZUWNIB-HUUCEWRRSA-N 2 1 376.523 -0.917 20 0 GBADMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000377695641 530324832 /nfs/dbraw/zinc/32/48/32/530324832.db2.gz QOWJXNALZUWNIB-LSDHHAIUSA-N 2 1 376.523 -0.917 20 0 GBADMP CS(=O)(=O)NCCN1CCCC2(CCC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC000377725497 530324635 /nfs/dbraw/zinc/32/46/35/530324635.db2.gz OEAUUKVHBNEASQ-UHFFFAOYSA-N 2 1 396.579 -0.737 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000378133325 1073242181 /nfs/dbraw/zinc/24/21/81/1073242181.db2.gz JYSZZJCUNZKHAX-KRWDZBQOSA-N 2 1 383.537 -0.509 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000378133326 1073242261 /nfs/dbraw/zinc/24/22/61/1073242261.db2.gz JYSZZJCUNZKHAX-QGZVFWFLSA-N 2 1 383.537 -0.509 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000408029918 1073114635 /nfs/dbraw/zinc/11/46/35/1073114635.db2.gz DNONFOINVVNOJE-GOSISDBHSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000408029918 1073114627 /nfs/dbraw/zinc/11/46/27/1073114627.db2.gz DNONFOINVVNOJE-GOSISDBHSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000408029922 1073114916 /nfs/dbraw/zinc/11/49/16/1073114916.db2.gz DNONFOINVVNOJE-SFHVURJKSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000408029922 1073114914 /nfs/dbraw/zinc/11/49/14/1073114914.db2.gz DNONFOINVVNOJE-SFHVURJKSA-N 2 1 377.533 -0.221 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000410698889 1073808972 /nfs/dbraw/zinc/80/89/72/1073808972.db2.gz OOOSYHRWECABAN-QGZVFWFLSA-N 2 1 395.548 -0.202 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000410698889 1073808963 /nfs/dbraw/zinc/80/89/63/1073808963.db2.gz OOOSYHRWECABAN-QGZVFWFLSA-N 2 1 395.548 -0.202 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000410708096 1073812288 /nfs/dbraw/zinc/81/22/88/1073812288.db2.gz AXILYAYZLHCLCO-SJORKVTESA-N 2 1 395.548 -0.060 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000410708096 1073812281 /nfs/dbraw/zinc/81/22/81/1073812281.db2.gz AXILYAYZLHCLCO-SJORKVTESA-N 2 1 395.548 -0.060 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000410729201 1073830162 /nfs/dbraw/zinc/83/01/62/1073830162.db2.gz HNWSMFRSMDUJMM-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000410729850 1073831469 /nfs/dbraw/zinc/83/14/69/1073831469.db2.gz KQHRVMWRUKCLAL-SOLBZPMBSA-N 2 1 377.533 -0.224 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000410838633 1073841804 /nfs/dbraw/zinc/84/18/04/1073841804.db2.gz BEDNXKTXGKRRDX-FGTMMUONSA-N 2 1 398.548 -0.141 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000410838633 1073841793 /nfs/dbraw/zinc/84/17/93/1073841793.db2.gz BEDNXKTXGKRRDX-FGTMMUONSA-N 2 1 398.548 -0.141 20 0 GBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000410838634 1073841551 /nfs/dbraw/zinc/84/15/51/1073841551.db2.gz BEDNXKTXGKRRDX-KSZLIROESA-N 2 1 398.548 -0.141 20 0 GBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000410838634 1073841537 /nfs/dbraw/zinc/84/15/37/1073841537.db2.gz BEDNXKTXGKRRDX-KSZLIROESA-N 2 1 398.548 -0.141 20 0 GBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000410880471 1073847561 /nfs/dbraw/zinc/84/75/61/1073847561.db2.gz WWYVTUBQMRLKAH-MRXNPFEDSA-N 2 1 379.505 -0.696 20 0 GBADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000410880471 1073847548 /nfs/dbraw/zinc/84/75/48/1073847548.db2.gz WWYVTUBQMRLKAH-MRXNPFEDSA-N 2 1 379.505 -0.696 20 0 GBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000410880471 1073847536 /nfs/dbraw/zinc/84/75/36/1073847536.db2.gz WWYVTUBQMRLKAH-MRXNPFEDSA-N 2 1 379.505 -0.696 20 0 GBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000410886959 1073849056 /nfs/dbraw/zinc/84/90/56/1073849056.db2.gz PFHGUUWIJDYLLK-INIZCTEOSA-N 2 1 381.521 -0.450 20 0 GBADMP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000410886963 1073849097 /nfs/dbraw/zinc/84/90/97/1073849097.db2.gz PFHGUUWIJDYLLK-MRXNPFEDSA-N 2 1 381.521 -0.450 20 0 GBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000410913815 1073851447 /nfs/dbraw/zinc/85/14/47/1073851447.db2.gz YHFCNOZSFODGOQ-QGZVFWFLSA-N 2 1 395.548 -0.058 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410977965 1073860166 /nfs/dbraw/zinc/86/01/66/1073860166.db2.gz LCEDDKYPGVAODJ-DLBZAZTESA-N 2 1 393.532 -0.448 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410977966 1073859893 /nfs/dbraw/zinc/85/98/93/1073859893.db2.gz LCEDDKYPGVAODJ-IAGOWNOFSA-N 2 1 393.532 -0.448 20 0 GBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000411032783 1073863377 /nfs/dbraw/zinc/86/33/77/1073863377.db2.gz VBMQYEAWPNNUJL-QGZVFWFLSA-N 2 1 393.532 -0.306 20 0 GBADMP CC(CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1)CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000411414338 1073879215 /nfs/dbraw/zinc/87/92/15/1073879215.db2.gz ADRHWLLWIRCSSN-QZTJIDSGSA-N 2 1 398.548 -0.547 20 0 GBADMP CC(CC[NH+]1CCN(C(=O)[C@H](C)O)CC1)CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000411414340 1073879139 /nfs/dbraw/zinc/87/91/39/1073879139.db2.gz ADRHWLLWIRCSSN-ROUUACIJSA-N 2 1 398.548 -0.547 20 0 GBADMP C[NH+]1CCC(CNc2cc[nH+]c(N3CCOCC3)n2)(N2CCOCC2)CC1 ZINC000413479973 1072348956 /nfs/dbraw/zinc/34/89/56/1072348956.db2.gz LDHQSKJSVABHFR-UHFFFAOYSA-N 2 1 376.505 0.522 20 0 GBADMP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)(N2CCOCC2)CC1 ZINC000413607893 1072789567 /nfs/dbraw/zinc/78/95/67/1072789567.db2.gz AKQLHOBIVOFHHI-GOSISDBHSA-N 2 1 397.564 -0.071 20 0 GBADMP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)(N2CCOCC2)CC1 ZINC000413607899 1072789266 /nfs/dbraw/zinc/78/92/66/1072789266.db2.gz AKQLHOBIVOFHHI-SFHVURJKSA-N 2 1 397.564 -0.071 20 0 GBADMP C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)(N2CCOCC2)CC1 ZINC000413631804 1072798061 /nfs/dbraw/zinc/79/80/61/1072798061.db2.gz YJVJFKUXHVETFN-GOSISDBHSA-N 2 1 397.564 -0.071 20 0 GBADMP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)(N2CCOCC2)CC1 ZINC000413631805 1072798115 /nfs/dbraw/zinc/79/81/15/1072798115.db2.gz YJVJFKUXHVETFN-SFHVURJKSA-N 2 1 397.564 -0.071 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920639 1072874022 /nfs/dbraw/zinc/87/40/22/1072874022.db2.gz NNROLBNEBOINKA-BRWVUGGUSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920639 1072874012 /nfs/dbraw/zinc/87/40/12/1072874012.db2.gz NNROLBNEBOINKA-BRWVUGGUSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920639 1072873999 /nfs/dbraw/zinc/87/39/99/1072873999.db2.gz NNROLBNEBOINKA-BRWVUGGUSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920640 1072874499 /nfs/dbraw/zinc/87/44/99/1072874499.db2.gz NNROLBNEBOINKA-GVDBMIGSSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920640 1072874483 /nfs/dbraw/zinc/87/44/83/1072874483.db2.gz NNROLBNEBOINKA-GVDBMIGSSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920640 1072874475 /nfs/dbraw/zinc/87/44/75/1072874475.db2.gz NNROLBNEBOINKA-GVDBMIGSSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920641 1072874093 /nfs/dbraw/zinc/87/40/93/1072874093.db2.gz NNROLBNEBOINKA-IXDOHACOSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920641 1072874085 /nfs/dbraw/zinc/87/40/85/1072874085.db2.gz NNROLBNEBOINKA-IXDOHACOSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920641 1072874077 /nfs/dbraw/zinc/87/40/77/1072874077.db2.gz NNROLBNEBOINKA-IXDOHACOSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920642 1072874705 /nfs/dbraw/zinc/87/47/05/1072874705.db2.gz NNROLBNEBOINKA-YESZJQIVSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920642 1072874696 /nfs/dbraw/zinc/87/46/96/1072874696.db2.gz NNROLBNEBOINKA-YESZJQIVSA-N 2 1 394.516 -0.118 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920642 1072874683 /nfs/dbraw/zinc/87/46/83/1072874683.db2.gz NNROLBNEBOINKA-YESZJQIVSA-N 2 1 394.516 -0.118 20 0 GBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000414706319 1072481700 /nfs/dbraw/zinc/48/17/00/1072481700.db2.gz ASHMZJJUUDRWOA-UHFFFAOYSA-N 2 1 375.477 -0.375 20 0 GBADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414876147 1072725515 /nfs/dbraw/zinc/72/55/15/1072725515.db2.gz KBUGFUHFGWLIJX-UHFFFAOYSA-N 2 1 377.489 -0.023 20 0 GBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000414888605 1072754944 /nfs/dbraw/zinc/75/49/44/1072754944.db2.gz SIERDOIBPHOLIQ-HNNXBMFYSA-N 2 1 375.477 -0.377 20 0 GBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000414888605 1072754935 /nfs/dbraw/zinc/75/49/35/1072754935.db2.gz SIERDOIBPHOLIQ-HNNXBMFYSA-N 2 1 375.477 -0.377 20 0 GBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000414888614 1072754491 /nfs/dbraw/zinc/75/44/91/1072754491.db2.gz SIERDOIBPHOLIQ-OAHLLOKOSA-N 2 1 375.477 -0.377 20 0 GBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000414888614 1072754483 /nfs/dbraw/zinc/75/44/83/1072754483.db2.gz SIERDOIBPHOLIQ-OAHLLOKOSA-N 2 1 375.477 -0.377 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414977235 1072926972 /nfs/dbraw/zinc/92/69/72/1072926972.db2.gz PQYHUNPCOYAWCV-KRWDZBQOSA-N 2 1 385.468 -0.007 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414977236 1072927438 /nfs/dbraw/zinc/92/74/38/1072927438.db2.gz PQYHUNPCOYAWCV-QGZVFWFLSA-N 2 1 385.468 -0.007 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414997632 1072950008 /nfs/dbraw/zinc/95/00/08/1072950008.db2.gz YLZPCBQMEKITFS-UHFFFAOYSA-N 2 1 387.484 -0.107 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1C ZINC000415142410 1073148988 /nfs/dbraw/zinc/14/89/88/1073148988.db2.gz AFKWYSQPSKDQNJ-KBPBESRZSA-N 2 1 375.477 -0.234 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1C ZINC000415142410 1073148982 /nfs/dbraw/zinc/14/89/82/1073148982.db2.gz AFKWYSQPSKDQNJ-KBPBESRZSA-N 2 1 375.477 -0.234 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1C ZINC000415142413 1073148848 /nfs/dbraw/zinc/14/88/48/1073148848.db2.gz AFKWYSQPSKDQNJ-KGLIPLIRSA-N 2 1 375.477 -0.234 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1C ZINC000415142413 1073148844 /nfs/dbraw/zinc/14/88/44/1073148844.db2.gz AFKWYSQPSKDQNJ-KGLIPLIRSA-N 2 1 375.477 -0.234 20 0 GBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1C ZINC000415142415 1073148891 /nfs/dbraw/zinc/14/88/91/1073148891.db2.gz AFKWYSQPSKDQNJ-UONOGXRCSA-N 2 1 375.477 -0.234 20 0 GBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1C ZINC000415142415 1073148889 /nfs/dbraw/zinc/14/88/89/1073148889.db2.gz AFKWYSQPSKDQNJ-UONOGXRCSA-N 2 1 375.477 -0.234 20 0 GBADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1C ZINC000415142417 1073148824 /nfs/dbraw/zinc/14/88/24/1073148824.db2.gz AFKWYSQPSKDQNJ-ZIAGYGMSSA-N 2 1 375.477 -0.234 20 0 GBADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1C ZINC000415142417 1073148822 /nfs/dbraw/zinc/14/88/22/1073148822.db2.gz AFKWYSQPSKDQNJ-ZIAGYGMSSA-N 2 1 375.477 -0.234 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@H+]1C ZINC000415182820 1073151197 /nfs/dbraw/zinc/15/11/97/1073151197.db2.gz ZCJWHXDAMDHYRD-HNNXBMFYSA-N 2 1 375.477 -0.377 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@@H+]1C ZINC000415182820 1073151194 /nfs/dbraw/zinc/15/11/94/1073151194.db2.gz ZCJWHXDAMDHYRD-HNNXBMFYSA-N 2 1 375.477 -0.377 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@H+]1C ZINC000415182823 1073151119 /nfs/dbraw/zinc/15/11/19/1073151119.db2.gz ZCJWHXDAMDHYRD-OAHLLOKOSA-N 2 1 375.477 -0.377 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@@H+]1C ZINC000415182823 1073151117 /nfs/dbraw/zinc/15/11/17/1073151117.db2.gz ZCJWHXDAMDHYRD-OAHLLOKOSA-N 2 1 375.477 -0.377 20 0 GBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415257718 1073155762 /nfs/dbraw/zinc/15/57/62/1073155762.db2.gz QHMIGNFFTTVJGY-AWEZNQCLSA-N 2 1 375.477 -0.233 20 0 GBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415257724 1073155907 /nfs/dbraw/zinc/15/59/07/1073155907.db2.gz QHMIGNFFTTVJGY-CQSZACIVSA-N 2 1 375.477 -0.233 20 0 GBADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415267525 1073162320 /nfs/dbraw/zinc/16/23/20/1073162320.db2.gz UCYPHQWJKGJHLR-HNNXBMFYSA-N 2 1 375.477 -0.233 20 0 GBADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415267525 1073162314 /nfs/dbraw/zinc/16/23/14/1073162314.db2.gz UCYPHQWJKGJHLR-HNNXBMFYSA-N 2 1 375.477 -0.233 20 0 GBADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415267526 1073162271 /nfs/dbraw/zinc/16/22/71/1073162271.db2.gz UCYPHQWJKGJHLR-OAHLLOKOSA-N 2 1 375.477 -0.233 20 0 GBADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415267526 1073162268 /nfs/dbraw/zinc/16/22/68/1073162268.db2.gz UCYPHQWJKGJHLR-OAHLLOKOSA-N 2 1 375.477 -0.233 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000415275934 1073162867 /nfs/dbraw/zinc/16/28/67/1073162867.db2.gz WFQBIYFNKBPPQI-INIZCTEOSA-N 2 1 387.484 -0.109 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415275935 1073162910 /nfs/dbraw/zinc/16/29/10/1073162910.db2.gz WFQBIYFNKBPPQI-MRXNPFEDSA-N 2 1 387.484 -0.109 20 0 GBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415294498 1073175697 /nfs/dbraw/zinc/17/56/97/1073175697.db2.gz OSTZGITXISVYLG-MRXNPFEDSA-N 2 1 387.484 -0.109 20 0 GBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000415355366 1073194924 /nfs/dbraw/zinc/19/49/24/1073194924.db2.gz OSTZGITXISVYLG-INIZCTEOSA-N 2 1 387.484 -0.109 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000415471897 1073202810 /nfs/dbraw/zinc/20/28/10/1073202810.db2.gz SLKWRVRIZZXZIG-QGZVFWFLSA-N 2 1 387.484 -0.109 20 0 GBADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000415729750 1073219061 /nfs/dbraw/zinc/21/90/61/1073219061.db2.gz CAGBDEOPMDSPQV-UHFFFAOYSA-N 2 1 387.484 -0.238 20 0 GBADMP CN(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC([NH3+])C1 ZINC000415795901 1073222424 /nfs/dbraw/zinc/22/24/24/1073222424.db2.gz YPUJJVGQLQADFP-UHFFFAOYSA-N 2 1 387.484 -0.110 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000415818155 1073223926 /nfs/dbraw/zinc/22/39/26/1073223926.db2.gz SLFGBYHNDJMDTI-AEFFLSMTSA-N 2 1 399.495 -0.238 20 0 GBADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415884211 1073229850 /nfs/dbraw/zinc/22/98/50/1073229850.db2.gz CVMLZZZMXHPRCV-UHFFFAOYSA-N 2 1 388.468 -0.299 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415947466 1073098315 /nfs/dbraw/zinc/09/83/15/1073098315.db2.gz AIMQCWUBZOFGNZ-UHFFFAOYSA-N 2 1 376.465 -0.828 20 0 GBADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415959033 1073235897 /nfs/dbraw/zinc/23/58/97/1073235897.db2.gz YDAKKIKUZNGSKW-AWEZNQCLSA-N 2 1 391.476 -0.013 20 0 GBADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415959034 1073235982 /nfs/dbraw/zinc/23/59/82/1073235982.db2.gz YDAKKIKUZNGSKW-CQSZACIVSA-N 2 1 391.476 -0.013 20 0 GBADMP CC(C)[NH+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000416804383 530272574 /nfs/dbraw/zinc/27/25/74/530272574.db2.gz JXHQONIJMJRVBI-UHFFFAOYSA-N 2 1 375.539 -0.266 20 0 GBADMP CC1CC[NH+](CCCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000416879030 1073290085 /nfs/dbraw/zinc/29/00/85/1073290085.db2.gz WVJKBWHWIFWOLG-UHFFFAOYSA-N 2 1 387.550 -0.263 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963551 1073292527 /nfs/dbraw/zinc/29/25/27/1073292527.db2.gz ZLNBSFBHBFJLOD-UHFFFAOYSA-N 2 1 390.536 -0.417 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000416986154 1073293370 /nfs/dbraw/zinc/29/33/70/1073293370.db2.gz AGIZEOKAMVTHCS-HNNXBMFYSA-N 2 1 382.509 -0.820 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000416986160 1073293339 /nfs/dbraw/zinc/29/33/39/1073293339.db2.gz AGIZEOKAMVTHCS-OAHLLOKOSA-N 2 1 382.509 -0.820 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416992465 1073293178 /nfs/dbraw/zinc/29/31/78/1073293178.db2.gz HLNCDOBBCDVKOZ-CYBMUJFWSA-N 2 1 394.442 -0.714 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416992472 1073293590 /nfs/dbraw/zinc/29/35/90/1073293590.db2.gz HLNCDOBBCDVKOZ-ZDUSSCGKSA-N 2 1 394.442 -0.714 20 0 GBADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417088688 530272492 /nfs/dbraw/zinc/27/24/92/530272492.db2.gz LMHCMESVRCVHJT-AWEZNQCLSA-N 2 1 375.539 -0.409 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417369068 1073305869 /nfs/dbraw/zinc/30/58/69/1073305869.db2.gz PMQUZZVTVPFXTN-UHFFFAOYSA-N 2 1 375.521 -0.202 20 0 GBADMP CCCC[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000417386834 1073306268 /nfs/dbraw/zinc/30/62/68/1073306268.db2.gz FZWPJJLSQZZBKX-UHFFFAOYSA-N 2 1 387.550 -0.120 20 0 GBADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417394671 1073160426 /nfs/dbraw/zinc/16/04/26/1073160426.db2.gz VRVUKDZWGHECBL-GOSISDBHSA-N 2 1 375.521 -0.204 20 0 GBADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417394672 1073160611 /nfs/dbraw/zinc/16/06/11/1073160611.db2.gz VRVUKDZWGHECBL-SFHVURJKSA-N 2 1 375.521 -0.204 20 0 GBADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000417667497 1073314195 /nfs/dbraw/zinc/31/41/95/1073314195.db2.gz IMCQRZBMBLANKE-CVEARBPZSA-N 2 1 378.473 -0.059 20 0 GBADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000417667497 1073314188 /nfs/dbraw/zinc/31/41/88/1073314188.db2.gz IMCQRZBMBLANKE-CVEARBPZSA-N 2 1 378.473 -0.059 20 0 GBADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000417667498 1073314431 /nfs/dbraw/zinc/31/44/31/1073314431.db2.gz IMCQRZBMBLANKE-HOTGVXAUSA-N 2 1 378.473 -0.059 20 0 GBADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000417667498 1073314425 /nfs/dbraw/zinc/31/44/25/1073314425.db2.gz IMCQRZBMBLANKE-HOTGVXAUSA-N 2 1 378.473 -0.059 20 0 GBADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC000417667499 1073314011 /nfs/dbraw/zinc/31/40/11/1073314011.db2.gz IMCQRZBMBLANKE-HZPDHXFCSA-N 2 1 378.473 -0.059 20 0 GBADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC000417667499 1073314008 /nfs/dbraw/zinc/31/40/08/1073314008.db2.gz IMCQRZBMBLANKE-HZPDHXFCSA-N 2 1 378.473 -0.059 20 0 GBADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC000417667500 1073314153 /nfs/dbraw/zinc/31/41/53/1073314153.db2.gz IMCQRZBMBLANKE-JKSUJKDBSA-N 2 1 378.473 -0.059 20 0 GBADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC000417667500 1073314148 /nfs/dbraw/zinc/31/41/48/1073314148.db2.gz IMCQRZBMBLANKE-JKSUJKDBSA-N 2 1 378.473 -0.059 20 0 GBADMP C[NH+](C)CC[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)(C)C ZINC000417676951 1073314169 /nfs/dbraw/zinc/31/41/69/1073314169.db2.gz GOTYIOVLNUQOID-HNNXBMFYSA-N 2 1 389.566 -0.018 20 0 GBADMP C[NH+](C)CC[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)(C)C ZINC000417676952 1073314409 /nfs/dbraw/zinc/31/44/09/1073314409.db2.gz GOTYIOVLNUQOID-OAHLLOKOSA-N 2 1 389.566 -0.018 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417739796 1073194693 /nfs/dbraw/zinc/19/46/93/1073194693.db2.gz GOTCVUHBQMOEMJ-KRWDZBQOSA-N 2 1 375.521 -0.204 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417739797 1073194771 /nfs/dbraw/zinc/19/47/71/1073194771.db2.gz GOTCVUHBQMOEMJ-QGZVFWFLSA-N 2 1 375.521 -0.204 20 0 GBADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417802969 1073316559 /nfs/dbraw/zinc/31/65/59/1073316559.db2.gz XIZABBLJQYHZOC-INIZCTEOSA-N 2 1 399.561 -0.120 20 0 GBADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417802969 1073316556 /nfs/dbraw/zinc/31/65/56/1073316556.db2.gz XIZABBLJQYHZOC-INIZCTEOSA-N 2 1 399.561 -0.120 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417802970 1073316439 /nfs/dbraw/zinc/31/64/39/1073316439.db2.gz XIZABBLJQYHZOC-MRXNPFEDSA-N 2 1 399.561 -0.120 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417802970 1073316435 /nfs/dbraw/zinc/31/64/35/1073316435.db2.gz XIZABBLJQYHZOC-MRXNPFEDSA-N 2 1 399.561 -0.120 20 0 GBADMP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000417857291 530284441 /nfs/dbraw/zinc/28/44/41/530284441.db2.gz NVPPREATSVIRSO-CYBMUJFWSA-N 2 1 375.539 -0.409 20 0 GBADMP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000417857292 530284265 /nfs/dbraw/zinc/28/42/65/530284265.db2.gz NVPPREATSVIRSO-ZDUSSCGKSA-N 2 1 375.539 -0.409 20 0 GBADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418196641 530313027 /nfs/dbraw/zinc/31/30/27/530313027.db2.gz DNKFTBAGTIKDPV-AWEZNQCLSA-N 2 1 375.539 -0.264 20 0 GBADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418196641 530313026 /nfs/dbraw/zinc/31/30/26/530313026.db2.gz DNKFTBAGTIKDPV-AWEZNQCLSA-N 2 1 375.539 -0.264 20 0 GBADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418200321 530313014 /nfs/dbraw/zinc/31/30/14/530313014.db2.gz PUIGEVZJRAUDEQ-AWEZNQCLSA-N 2 1 375.539 -0.264 20 0 GBADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418200321 530313012 /nfs/dbraw/zinc/31/30/12/530313012.db2.gz PUIGEVZJRAUDEQ-AWEZNQCLSA-N 2 1 375.539 -0.264 20 0 GBADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418200323 530312711 /nfs/dbraw/zinc/31/27/11/530312711.db2.gz PUIGEVZJRAUDEQ-CQSZACIVSA-N 2 1 375.539 -0.264 20 0 GBADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418200323 530312709 /nfs/dbraw/zinc/31/27/09/530312709.db2.gz PUIGEVZJRAUDEQ-CQSZACIVSA-N 2 1 375.539 -0.264 20 0 GBADMP O=C(NCCCCC[NH+]1CCCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418211608 1073326762 /nfs/dbraw/zinc/32/67/62/1073326762.db2.gz FGCNOJKCDMELKP-UHFFFAOYSA-N 2 1 387.550 -0.119 20 0 GBADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418230096 530313058 /nfs/dbraw/zinc/31/30/58/530313058.db2.gz DNKFTBAGTIKDPV-CQSZACIVSA-N 2 1 375.539 -0.264 20 0 GBADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418230096 530313056 /nfs/dbraw/zinc/31/30/56/530313056.db2.gz DNKFTBAGTIKDPV-CQSZACIVSA-N 2 1 375.539 -0.264 20 0 GBADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418301640 1073331275 /nfs/dbraw/zinc/33/12/75/1073331275.db2.gz RZCGICHRWIBOPS-UHFFFAOYSA-N 2 1 382.553 -0.133 20 0 GBADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418301640 1073331267 /nfs/dbraw/zinc/33/12/67/1073331267.db2.gz RZCGICHRWIBOPS-UHFFFAOYSA-N 2 1 382.553 -0.133 20 0 GBADMP O=C(NCCC[NH2+]Cc1cccnc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418326686 1073844511 /nfs/dbraw/zinc/84/45/11/1073844511.db2.gz KWLSKHTWMQDYDZ-UHFFFAOYSA-N 2 1 396.517 -0.810 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418616678 1073701955 /nfs/dbraw/zinc/70/19/55/1073701955.db2.gz MUFKVRDLGOMEPA-KBPBESRZSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418616682 1073701820 /nfs/dbraw/zinc/70/18/20/1073701820.db2.gz MUFKVRDLGOMEPA-KGLIPLIRSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418616684 1073702314 /nfs/dbraw/zinc/70/23/14/1073702314.db2.gz MUFKVRDLGOMEPA-UONOGXRCSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCC[N@@H+]1CCO ZINC000418616686 1073701743 /nfs/dbraw/zinc/70/17/43/1073701743.db2.gz MUFKVRDLGOMEPA-ZIAGYGMSSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418619665 1073702130 /nfs/dbraw/zinc/70/21/30/1073702130.db2.gz PSDKLGCDEUYCFH-KBPBESRZSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418619666 1073702232 /nfs/dbraw/zinc/70/22/32/1073702232.db2.gz PSDKLGCDEUYCFH-KGLIPLIRSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418619667 1073702446 /nfs/dbraw/zinc/70/24/46/1073702446.db2.gz PSDKLGCDEUYCFH-UONOGXRCSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418619668 1073701849 /nfs/dbraw/zinc/70/18/49/1073701849.db2.gz PSDKLGCDEUYCFH-ZIAGYGMSSA-N 2 1 381.443 -0.032 20 0 GBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621727 1073703039 /nfs/dbraw/zinc/70/30/39/1073703039.db2.gz UGQYFVHEBRVOGB-CHWSQXEVSA-N 2 1 394.442 -0.539 20 0 GBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621728 1073702995 /nfs/dbraw/zinc/70/29/95/1073702995.db2.gz UGQYFVHEBRVOGB-OLZOCXBDSA-N 2 1 394.442 -0.539 20 0 GBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621729 1073703240 /nfs/dbraw/zinc/70/32/40/1073703240.db2.gz UGQYFVHEBRVOGB-QWHCGFSZSA-N 2 1 394.442 -0.539 20 0 GBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621730 1073703410 /nfs/dbraw/zinc/70/34/10/1073703410.db2.gz UGQYFVHEBRVOGB-STQMWFEESA-N 2 1 394.442 -0.539 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418624803 1073702794 /nfs/dbraw/zinc/70/27/94/1073702794.db2.gz ZRFMHMIXQQBERT-KBPBESRZSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418624804 1073703369 /nfs/dbraw/zinc/70/33/69/1073703369.db2.gz ZRFMHMIXQQBERT-KGLIPLIRSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418624805 1073703124 /nfs/dbraw/zinc/70/31/24/1073703124.db2.gz ZRFMHMIXQQBERT-UONOGXRCSA-N 2 1 381.443 -0.032 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418624806 1073703347 /nfs/dbraw/zinc/70/33/47/1073703347.db2.gz ZRFMHMIXQQBERT-ZIAGYGMSSA-N 2 1 381.443 -0.032 20 0 GBADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000418751331 1073713274 /nfs/dbraw/zinc/71/32/74/1073713274.db2.gz AGIJTSHGUYHFLI-KKUMJFAQSA-N 2 1 394.499 -0.338 20 0 GBADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000418751332 1073713645 /nfs/dbraw/zinc/71/36/45/1073713645.db2.gz AGIJTSHGUYHFLI-SOUVJXGZSA-N 2 1 394.499 -0.338 20 0 GBADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000418809229 1073720074 /nfs/dbraw/zinc/72/00/74/1073720074.db2.gz SEPKXYHAFUXDSK-INIZCTEOSA-N 2 1 393.532 -0.353 20 0 GBADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000418809235 1073719549 /nfs/dbraw/zinc/71/95/49/1073719549.db2.gz SEPKXYHAFUXDSK-MRXNPFEDSA-N 2 1 393.532 -0.353 20 0 GBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418815534 1073721907 /nfs/dbraw/zinc/72/19/07/1073721907.db2.gz KRWOVLLKQUGLRP-GDBMZVCRSA-N 2 1 392.504 -0.210 20 0 GBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418815535 1073721585 /nfs/dbraw/zinc/72/15/85/1073721585.db2.gz KRWOVLLKQUGLRP-GOEBONIOSA-N 2 1 392.504 -0.210 20 0 GBADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418815536 1073721825 /nfs/dbraw/zinc/72/18/25/1073721825.db2.gz KRWOVLLKQUGLRP-HOCLYGCPSA-N 2 1 392.504 -0.210 20 0 GBADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418815537 1073721931 /nfs/dbraw/zinc/72/19/31/1073721931.db2.gz KRWOVLLKQUGLRP-ZBFHGGJFSA-N 2 1 392.504 -0.210 20 0 GBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824253 1073722611 /nfs/dbraw/zinc/72/26/11/1073722611.db2.gz DCXSROAIWLGANV-CABCVRRESA-N 2 1 393.488 -0.155 20 0 GBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824255 1073722756 /nfs/dbraw/zinc/72/27/56/1073722756.db2.gz DCXSROAIWLGANV-GJZGRUSLSA-N 2 1 393.488 -0.155 20 0 GBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824256 1073722587 /nfs/dbraw/zinc/72/25/87/1073722587.db2.gz DCXSROAIWLGANV-HUUCEWRRSA-N 2 1 393.488 -0.155 20 0 GBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccco1 ZINC000418824257 1073722842 /nfs/dbraw/zinc/72/28/42/1073722842.db2.gz DCXSROAIWLGANV-LSDHHAIUSA-N 2 1 393.488 -0.155 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000418831214 1073724447 /nfs/dbraw/zinc/72/44/47/1073724447.db2.gz KNGUJVBAGKPYEH-HNNXBMFYSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000418831218 1073724669 /nfs/dbraw/zinc/72/46/69/1073724669.db2.gz KNGUJVBAGKPYEH-OAHLLOKOSA-N 2 1 379.505 -0.600 20 0 GBADMP CC(C)(CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000418833194 1073724338 /nfs/dbraw/zinc/72/43/38/1073724338.db2.gz KWZGBUFXFYDPKZ-INIZCTEOSA-N 2 1 393.532 -0.210 20 0 GBADMP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000418833195 1073724424 /nfs/dbraw/zinc/72/44/24/1073724424.db2.gz KWZGBUFXFYDPKZ-MRXNPFEDSA-N 2 1 393.532 -0.210 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000418838543 1073725502 /nfs/dbraw/zinc/72/55/02/1073725502.db2.gz VKATWZQLUVHRML-INIZCTEOSA-N 2 1 382.505 -0.286 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000418838554 1073725572 /nfs/dbraw/zinc/72/55/72/1073725572.db2.gz VKATWZQLUVHRML-MRXNPFEDSA-N 2 1 382.505 -0.286 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418839019 1073726497 /nfs/dbraw/zinc/72/64/97/1073726497.db2.gz WKGAKCPJNHJWFT-UHFFFAOYSA-N 2 1 381.521 -0.841 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418839441 1073727192 /nfs/dbraw/zinc/72/71/92/1073727192.db2.gz WYZAQTBLZIJKPS-INIZCTEOSA-N 2 1 382.505 -0.368 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418839447 1073727455 /nfs/dbraw/zinc/72/74/55/1073727455.db2.gz WYZAQTBLZIJKPS-MRXNPFEDSA-N 2 1 382.505 -0.368 20 0 GBADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418847399 1073728201 /nfs/dbraw/zinc/72/82/01/1073728201.db2.gz VIOKCOXDSKAGFC-INIZCTEOSA-N 2 1 393.532 -0.212 20 0 GBADMP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418847400 1073728596 /nfs/dbraw/zinc/72/85/96/1073728596.db2.gz VIOKCOXDSKAGFC-MRXNPFEDSA-N 2 1 393.532 -0.212 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000418847463 1073728679 /nfs/dbraw/zinc/72/86/79/1073728679.db2.gz JFAUXXKHSKLLNX-GDBMZVCRSA-N 2 1 378.473 -0.091 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000418847464 1073728462 /nfs/dbraw/zinc/72/84/62/1073728462.db2.gz JFAUXXKHSKLLNX-GOEBONIOSA-N 2 1 378.473 -0.091 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000418847465 1073728691 /nfs/dbraw/zinc/72/86/91/1073728691.db2.gz JFAUXXKHSKLLNX-HOCLYGCPSA-N 2 1 378.473 -0.091 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000418847466 1073728154 /nfs/dbraw/zinc/72/81/54/1073728154.db2.gz JFAUXXKHSKLLNX-ZBFHGGJFSA-N 2 1 378.473 -0.091 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418854998 1073728565 /nfs/dbraw/zinc/72/85/65/1073728565.db2.gz UIVRYMJRMFRQPD-GDBMZVCRSA-N 2 1 378.473 -0.010 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418854999 1073728528 /nfs/dbraw/zinc/72/85/28/1073728528.db2.gz UIVRYMJRMFRQPD-GOEBONIOSA-N 2 1 378.473 -0.010 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418855000 1073728341 /nfs/dbraw/zinc/72/83/41/1073728341.db2.gz UIVRYMJRMFRQPD-HOCLYGCPSA-N 2 1 378.473 -0.010 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418855001 1073728784 /nfs/dbraw/zinc/72/87/84/1073728784.db2.gz UIVRYMJRMFRQPD-ZBFHGGJFSA-N 2 1 378.473 -0.010 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000418855857 1073728716 /nfs/dbraw/zinc/72/87/16/1073728716.db2.gz VTHBVQIEPDOSHA-INIZCTEOSA-N 2 1 377.489 -0.565 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000418855858 1073728706 /nfs/dbraw/zinc/72/87/06/1073728706.db2.gz VTHBVQIEPDOSHA-MRXNPFEDSA-N 2 1 377.489 -0.565 20 0 GBADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418873591 1073730570 /nfs/dbraw/zinc/73/05/70/1073730570.db2.gz UMGKQSCVSGONKE-KRWDZBQOSA-N 2 1 393.532 -0.353 20 0 GBADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418873593 1073730551 /nfs/dbraw/zinc/73/05/51/1073730551.db2.gz UMGKQSCVSGONKE-QGZVFWFLSA-N 2 1 393.532 -0.353 20 0 GBADMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]2C2CC2)c1 ZINC000418877633 1073730618 /nfs/dbraw/zinc/73/06/18/1073730618.db2.gz JSULRLDPLHNLEV-MSOLQXFVSA-N 2 1 390.484 -0.131 20 0 GBADMP COc1cccc([C@H]2[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000418877633 1073730613 /nfs/dbraw/zinc/73/06/13/1073730613.db2.gz JSULRLDPLHNLEV-MSOLQXFVSA-N 2 1 390.484 -0.131 20 0 GBADMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]2C2CC2)c1 ZINC000418877634 1073730484 /nfs/dbraw/zinc/73/04/84/1073730484.db2.gz JSULRLDPLHNLEV-QZTJIDSGSA-N 2 1 390.484 -0.131 20 0 GBADMP COc1cccc([C@@H]2[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000418877634 1073730482 /nfs/dbraw/zinc/73/04/82/1073730482.db2.gz JSULRLDPLHNLEV-QZTJIDSGSA-N 2 1 390.484 -0.131 20 0 GBADMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]2C2CC2)c1 ZINC000418877635 1073730229 /nfs/dbraw/zinc/73/02/29/1073730229.db2.gz JSULRLDPLHNLEV-ROUUACIJSA-N 2 1 390.484 -0.131 20 0 GBADMP COc1cccc([C@H]2[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000418877635 1073730219 /nfs/dbraw/zinc/73/02/19/1073730219.db2.gz JSULRLDPLHNLEV-ROUUACIJSA-N 2 1 390.484 -0.131 20 0 GBADMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@H+]2C2CC2)c1 ZINC000418877638 1073730404 /nfs/dbraw/zinc/73/04/04/1073730404.db2.gz JSULRLDPLHNLEV-ZWKOTPCHSA-N 2 1 390.484 -0.131 20 0 GBADMP COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)CC[N@@H+]2C2CC2)c1 ZINC000418877638 1073730395 /nfs/dbraw/zinc/73/03/95/1073730395.db2.gz JSULRLDPLHNLEV-ZWKOTPCHSA-N 2 1 390.484 -0.131 20 0 GBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418919882 1073739174 /nfs/dbraw/zinc/73/91/74/1073739174.db2.gz XRNAELQMFJJGDP-INIZCTEOSA-N 2 1 379.505 -0.600 20 0 GBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418919883 1073739109 /nfs/dbraw/zinc/73/91/09/1073739109.db2.gz XRNAELQMFJJGDP-MRXNPFEDSA-N 2 1 379.505 -0.600 20 0 GBADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418935246 1073740058 /nfs/dbraw/zinc/74/00/58/1073740058.db2.gz LMAWOFNBUYDNGK-KRWDZBQOSA-N 2 1 393.532 -0.353 20 0 GBADMP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418935248 1073740359 /nfs/dbraw/zinc/74/03/59/1073740359.db2.gz LMAWOFNBUYDNGK-QGZVFWFLSA-N 2 1 393.532 -0.353 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000418937727 1073741443 /nfs/dbraw/zinc/74/14/43/1073741443.db2.gz FXXDSPNYLIMVLW-KRWDZBQOSA-N 2 1 389.500 -0.452 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000418937728 1073740930 /nfs/dbraw/zinc/74/09/30/1073740930.db2.gz FXXDSPNYLIMVLW-QGZVFWFLSA-N 2 1 389.500 -0.452 20 0 GBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000418958189 1073742512 /nfs/dbraw/zinc/74/25/12/1073742512.db2.gz FRXNJRYNHRTAIU-HNNXBMFYSA-N 2 1 394.472 -0.826 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000418958189 1073742506 /nfs/dbraw/zinc/74/25/06/1073742506.db2.gz FRXNJRYNHRTAIU-HNNXBMFYSA-N 2 1 394.472 -0.826 20 0 GBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000418958190 1073742168 /nfs/dbraw/zinc/74/21/68/1073742168.db2.gz FRXNJRYNHRTAIU-OAHLLOKOSA-N 2 1 394.472 -0.826 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)cc(OC)c1 ZINC000418958190 1073742164 /nfs/dbraw/zinc/74/21/64/1073742164.db2.gz FRXNJRYNHRTAIU-OAHLLOKOSA-N 2 1 394.472 -0.826 20 0 GBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959149 1073742408 /nfs/dbraw/zinc/74/24/08/1073742408.db2.gz HCUWNIUVUFFAHD-CABCVRRESA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959149 1073742399 /nfs/dbraw/zinc/74/23/99/1073742399.db2.gz HCUWNIUVUFFAHD-CABCVRRESA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959150 1073742534 /nfs/dbraw/zinc/74/25/34/1073742534.db2.gz HCUWNIUVUFFAHD-GJZGRUSLSA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959150 1073742528 /nfs/dbraw/zinc/74/25/28/1073742528.db2.gz HCUWNIUVUFFAHD-GJZGRUSLSA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959151 1073742446 /nfs/dbraw/zinc/74/24/46/1073742446.db2.gz HCUWNIUVUFFAHD-HUUCEWRRSA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959151 1073742437 /nfs/dbraw/zinc/74/24/37/1073742437.db2.gz HCUWNIUVUFFAHD-HUUCEWRRSA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959152 1073741964 /nfs/dbraw/zinc/74/19/64/1073741964.db2.gz HCUWNIUVUFFAHD-LSDHHAIUSA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000418959152 1073741958 /nfs/dbraw/zinc/74/19/58/1073741958.db2.gz HCUWNIUVUFFAHD-LSDHHAIUSA-N 2 1 376.457 -0.128 20 0 GBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964167 1073742474 /nfs/dbraw/zinc/74/24/74/1073742474.db2.gz MXBGVKYECHDJGG-CABCVRRESA-N 2 1 376.457 -0.046 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964167 1073742469 /nfs/dbraw/zinc/74/24/69/1073742469.db2.gz MXBGVKYECHDJGG-CABCVRRESA-N 2 1 376.457 -0.046 20 0 GBADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964168 1073742072 /nfs/dbraw/zinc/74/20/72/1073742072.db2.gz MXBGVKYECHDJGG-GJZGRUSLSA-N 2 1 376.457 -0.046 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964168 1073742068 /nfs/dbraw/zinc/74/20/68/1073742068.db2.gz MXBGVKYECHDJGG-GJZGRUSLSA-N 2 1 376.457 -0.046 20 0 GBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964169 1073742312 /nfs/dbraw/zinc/74/23/12/1073742312.db2.gz MXBGVKYECHDJGG-HUUCEWRRSA-N 2 1 376.457 -0.046 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964169 1073742304 /nfs/dbraw/zinc/74/23/04/1073742304.db2.gz MXBGVKYECHDJGG-HUUCEWRRSA-N 2 1 376.457 -0.046 20 0 GBADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964170 1073742349 /nfs/dbraw/zinc/74/23/49/1073742349.db2.gz MXBGVKYECHDJGG-LSDHHAIUSA-N 2 1 376.457 -0.046 20 0 GBADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418964170 1073742342 /nfs/dbraw/zinc/74/23/42/1073742342.db2.gz MXBGVKYECHDJGG-LSDHHAIUSA-N 2 1 376.457 -0.046 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000418979062 1073744265 /nfs/dbraw/zinc/74/42/65/1073744265.db2.gz BOMNSXQZHOMXGL-CVEARBPZSA-N 2 1 381.521 -0.319 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000418979072 1073744186 /nfs/dbraw/zinc/74/41/86/1073744186.db2.gz BOMNSXQZHOMXGL-HOTGVXAUSA-N 2 1 381.521 -0.319 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000418979078 1073745033 /nfs/dbraw/zinc/74/50/33/1073745033.db2.gz BOMNSXQZHOMXGL-HZPDHXFCSA-N 2 1 381.521 -0.319 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000418979083 1073745280 /nfs/dbraw/zinc/74/52/80/1073745280.db2.gz BOMNSXQZHOMXGL-JKSUJKDBSA-N 2 1 381.521 -0.319 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000418979556 1073745190 /nfs/dbraw/zinc/74/51/90/1073745190.db2.gz CHXZTOUSNLFMGJ-DLBZAZTESA-N 2 1 393.532 -0.495 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000418979561 1073745148 /nfs/dbraw/zinc/74/51/48/1073745148.db2.gz CHXZTOUSNLFMGJ-IAGOWNOFSA-N 2 1 393.532 -0.495 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000418979562 1073744876 /nfs/dbraw/zinc/74/48/76/1073744876.db2.gz CHXZTOUSNLFMGJ-IRXDYDNUSA-N 2 1 393.532 -0.495 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000418979563 1073745405 /nfs/dbraw/zinc/74/54/05/1073745405.db2.gz CHXZTOUSNLFMGJ-SJORKVTESA-N 2 1 393.532 -0.495 20 0 GBADMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418981968 1073745359 /nfs/dbraw/zinc/74/53/59/1073745359.db2.gz RBTCRXXDUVITAR-INIZCTEOSA-N 2 1 384.440 -0.627 20 0 GBADMP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418981969 1073744985 /nfs/dbraw/zinc/74/49/85/1073744985.db2.gz RBTCRXXDUVITAR-MRXNPFEDSA-N 2 1 384.440 -0.627 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986905 1073746524 /nfs/dbraw/zinc/74/65/24/1073746524.db2.gz PGHAFLOEBBEITI-KBPBESRZSA-N 2 1 393.454 -0.213 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986906 1073746255 /nfs/dbraw/zinc/74/62/55/1073746255.db2.gz PGHAFLOEBBEITI-KGLIPLIRSA-N 2 1 393.454 -0.213 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986907 1073746440 /nfs/dbraw/zinc/74/64/40/1073746440.db2.gz PGHAFLOEBBEITI-UONOGXRCSA-N 2 1 393.454 -0.213 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986908 1073746773 /nfs/dbraw/zinc/74/67/73/1073746773.db2.gz PGHAFLOEBBEITI-ZIAGYGMSSA-N 2 1 393.454 -0.213 20 0 GBADMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418990947 1073746673 /nfs/dbraw/zinc/74/66/73/1073746673.db2.gz DBPLYAUJAWPPLU-INIZCTEOSA-N 2 1 379.505 -0.599 20 0 GBADMP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418990953 1073746368 /nfs/dbraw/zinc/74/63/68/1073746368.db2.gz DBPLYAUJAWPPLU-MRXNPFEDSA-N 2 1 379.505 -0.599 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991027 1073746574 /nfs/dbraw/zinc/74/65/74/1073746574.db2.gz XEOBNDYTBAPGTF-CVEARBPZSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991027 1073746566 /nfs/dbraw/zinc/74/65/66/1073746566.db2.gz XEOBNDYTBAPGTF-CVEARBPZSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991028 1073745932 /nfs/dbraw/zinc/74/59/32/1073745932.db2.gz XEOBNDYTBAPGTF-HOTGVXAUSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991028 1073745927 /nfs/dbraw/zinc/74/59/27/1073745927.db2.gz XEOBNDYTBAPGTF-HOTGVXAUSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991030 1073746092 /nfs/dbraw/zinc/74/60/92/1073746092.db2.gz XEOBNDYTBAPGTF-HZPDHXFCSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991030 1073746081 /nfs/dbraw/zinc/74/60/81/1073746081.db2.gz XEOBNDYTBAPGTF-HZPDHXFCSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991031 1073746197 /nfs/dbraw/zinc/74/61/97/1073746197.db2.gz XEOBNDYTBAPGTF-JKSUJKDBSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000418991031 1073746186 /nfs/dbraw/zinc/74/61/86/1073746186.db2.gz XEOBNDYTBAPGTF-JKSUJKDBSA-N 2 1 379.505 -0.743 20 0 GBADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418996737 1073747716 /nfs/dbraw/zinc/74/77/16/1073747716.db2.gz KDMLVRRFRMRACU-KRWDZBQOSA-N 2 1 393.532 -0.353 20 0 GBADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000418996739 1073747380 /nfs/dbraw/zinc/74/73/80/1073747380.db2.gz KDMLVRRFRMRACU-QGZVFWFLSA-N 2 1 393.532 -0.353 20 0 GBADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1F ZINC000419017569 1073752923 /nfs/dbraw/zinc/75/29/23/1073752923.db2.gz BBULAZOPVTUDDD-UHFFFAOYSA-N 2 1 388.447 -0.043 20 0 GBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419023720 1073753684 /nfs/dbraw/zinc/75/36/84/1073753684.db2.gz DPLSPIKWRPASQA-KSZLIROESA-N 2 1 391.491 -0.169 20 0 GBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419023725 1073753710 /nfs/dbraw/zinc/75/37/10/1073753710.db2.gz DPLSPIKWRPASQA-KURKYZTESA-N 2 1 391.491 -0.169 20 0 GBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419025162 1073755470 /nfs/dbraw/zinc/75/54/70/1073755470.db2.gz MCRRDXQSVJQZMT-BZUAXINKSA-N 2 1 381.521 -0.464 20 0 GBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419025163 1073755442 /nfs/dbraw/zinc/75/54/42/1073755442.db2.gz MCRRDXQSVJQZMT-OAGGEKHMSA-N 2 1 381.521 -0.464 20 0 GBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419025164 1073754321 /nfs/dbraw/zinc/75/43/21/1073754321.db2.gz MCRRDXQSVJQZMT-OWCLPIDISA-N 2 1 381.521 -0.464 20 0 GBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419025165 1073754888 /nfs/dbraw/zinc/75/48/88/1073754888.db2.gz MCRRDXQSVJQZMT-PMPSAXMXSA-N 2 1 381.521 -0.464 20 0 GBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419025197 1073754744 /nfs/dbraw/zinc/75/47/44/1073754744.db2.gz MGUQKTRSZNGDOB-BRWVUGGUSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419025197 1073754737 /nfs/dbraw/zinc/75/47/37/1073754737.db2.gz MGUQKTRSZNGDOB-BRWVUGGUSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419025204 1073754819 /nfs/dbraw/zinc/75/48/19/1073754819.db2.gz MGUQKTRSZNGDOB-IKGGRYGDSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419025204 1073754815 /nfs/dbraw/zinc/75/48/15/1073754815.db2.gz MGUQKTRSZNGDOB-IKGGRYGDSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419025205 1073754861 /nfs/dbraw/zinc/75/48/61/1073754861.db2.gz MGUQKTRSZNGDOB-IXDOHACOSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419025205 1073754857 /nfs/dbraw/zinc/75/48/57/1073754857.db2.gz MGUQKTRSZNGDOB-IXDOHACOSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419025593 1073754380 /nfs/dbraw/zinc/75/43/80/1073754380.db2.gz MGUQKTRSZNGDOB-ZACQAIPSSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419025593 1073754369 /nfs/dbraw/zinc/75/43/69/1073754369.db2.gz MGUQKTRSZNGDOB-ZACQAIPSSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419033630 1073757241 /nfs/dbraw/zinc/75/72/41/1073757241.db2.gz YHGCWQIPJCXOEE-TWMKSMIVSA-N 2 1 395.548 -0.218 20 0 GBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419033631 1073757527 /nfs/dbraw/zinc/75/75/27/1073757527.db2.gz YHGCWQIPJCXOEE-VVLHAWIVSA-N 2 1 395.548 -0.218 20 0 GBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419033632 1073757256 /nfs/dbraw/zinc/75/72/56/1073757256.db2.gz YHGCWQIPJCXOEE-YVSFHVDLSA-N 2 1 395.548 -0.218 20 0 GBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419033633 1073757441 /nfs/dbraw/zinc/75/74/41/1073757441.db2.gz YHGCWQIPJCXOEE-YYIAUSFCSA-N 2 1 395.548 -0.218 20 0 GBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044544 1073761378 /nfs/dbraw/zinc/76/13/78/1073761378.db2.gz LTAWAXZSPRMMJR-CVEARBPZSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044545 1073761287 /nfs/dbraw/zinc/76/12/87/1073761287.db2.gz LTAWAXZSPRMMJR-HOTGVXAUSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044546 1073760926 /nfs/dbraw/zinc/76/09/26/1073760926.db2.gz LTAWAXZSPRMMJR-HZPDHXFCSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044547 1073760869 /nfs/dbraw/zinc/76/08/69/1073760869.db2.gz LTAWAXZSPRMMJR-JKSUJKDBSA-N 2 1 395.548 -0.073 20 0 GBADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419062330 1073766727 /nfs/dbraw/zinc/76/67/27/1073766727.db2.gz GZVOPRABGBMQGO-CAOSSQGBSA-N 2 1 384.521 -0.045 20 0 GBADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419062335 1073766905 /nfs/dbraw/zinc/76/69/05/1073766905.db2.gz GZVOPRABGBMQGO-QKPAOTATSA-N 2 1 384.521 -0.045 20 0 GBADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419062335 1073766900 /nfs/dbraw/zinc/76/69/00/1073766900.db2.gz GZVOPRABGBMQGO-QKPAOTATSA-N 2 1 384.521 -0.045 20 0 GBADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419062336 1073766851 /nfs/dbraw/zinc/76/68/51/1073766851.db2.gz GZVOPRABGBMQGO-XUWVNRHRSA-N 2 1 384.521 -0.045 20 0 GBADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419062336 1073766848 /nfs/dbraw/zinc/76/68/48/1073766848.db2.gz GZVOPRABGBMQGO-XUWVNRHRSA-N 2 1 384.521 -0.045 20 0 GBADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419062337 1073766549 /nfs/dbraw/zinc/76/65/49/1073766549.db2.gz GZVOPRABGBMQGO-YHUYYLMFSA-N 2 1 384.521 -0.045 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000419070981 1073772124 /nfs/dbraw/zinc/77/21/24/1073772124.db2.gz LAOQFNDHNZLIBS-CRAIPNDOSA-N 2 1 390.484 -0.290 20 0 GBADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000419070981 1073772118 /nfs/dbraw/zinc/77/21/18/1073772118.db2.gz LAOQFNDHNZLIBS-CRAIPNDOSA-N 2 1 390.484 -0.290 20 0 GBADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000419070982 1073772100 /nfs/dbraw/zinc/77/21/00/1073772100.db2.gz LAOQFNDHNZLIBS-MAUKXSAKSA-N 2 1 390.484 -0.290 20 0 GBADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CCO1 ZINC000419070982 1073772096 /nfs/dbraw/zinc/77/20/96/1073772096.db2.gz LAOQFNDHNZLIBS-MAUKXSAKSA-N 2 1 390.484 -0.290 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000419071383 1073771013 /nfs/dbraw/zinc/77/10/13/1073771013.db2.gz LAOQFNDHNZLIBS-QAPCUYQASA-N 2 1 390.484 -0.290 20 0 GBADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000419071383 1073771008 /nfs/dbraw/zinc/77/10/08/1073771008.db2.gz LAOQFNDHNZLIBS-QAPCUYQASA-N 2 1 390.484 -0.290 20 0 GBADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000419071384 1073770782 /nfs/dbraw/zinc/77/07/82/1073770782.db2.gz LAOQFNDHNZLIBS-YJBOKZPZSA-N 2 1 390.484 -0.290 20 0 GBADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CCO1 ZINC000419071384 1073770777 /nfs/dbraw/zinc/77/07/77/1073770777.db2.gz LAOQFNDHNZLIBS-YJBOKZPZSA-N 2 1 390.484 -0.290 20 0 GBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419078487 1073773985 /nfs/dbraw/zinc/77/39/85/1073773985.db2.gz LCWIFBDNQUDQDG-DLBZAZTESA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419078487 1073773982 /nfs/dbraw/zinc/77/39/82/1073773982.db2.gz LCWIFBDNQUDQDG-DLBZAZTESA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419078489 1073774183 /nfs/dbraw/zinc/77/41/83/1073774183.db2.gz LCWIFBDNQUDQDG-IAGOWNOFSA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419078489 1073774181 /nfs/dbraw/zinc/77/41/81/1073774181.db2.gz LCWIFBDNQUDQDG-IAGOWNOFSA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419078491 1073773898 /nfs/dbraw/zinc/77/38/98/1073773898.db2.gz LCWIFBDNQUDQDG-IRXDYDNUSA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419078491 1073773893 /nfs/dbraw/zinc/77/38/93/1073773893.db2.gz LCWIFBDNQUDQDG-IRXDYDNUSA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419078493 1073774135 /nfs/dbraw/zinc/77/41/35/1073774135.db2.gz LCWIFBDNQUDQDG-SJORKVTESA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419078493 1073774131 /nfs/dbraw/zinc/77/41/31/1073774131.db2.gz LCWIFBDNQUDQDG-SJORKVTESA-N 2 1 393.532 -0.210 20 0 GBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419083887 1073777699 /nfs/dbraw/zinc/77/76/99/1073777699.db2.gz XKJHTLINIDUPBX-CVEARBPZSA-N 2 1 381.521 -0.319 20 0 GBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419083888 1073777649 /nfs/dbraw/zinc/77/76/49/1073777649.db2.gz XKJHTLINIDUPBX-HOTGVXAUSA-N 2 1 381.521 -0.319 20 0 GBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419083889 1073777748 /nfs/dbraw/zinc/77/77/48/1073777748.db2.gz XKJHTLINIDUPBX-HZPDHXFCSA-N 2 1 381.521 -0.319 20 0 GBADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419083890 1073777275 /nfs/dbraw/zinc/77/72/75/1073777275.db2.gz XKJHTLINIDUPBX-JKSUJKDBSA-N 2 1 381.521 -0.319 20 0 GBADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419096853 1073778638 /nfs/dbraw/zinc/77/86/38/1073778638.db2.gz DCGDLEKKMLUTER-DLBZAZTESA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419096854 1073778313 /nfs/dbraw/zinc/77/83/13/1073778313.db2.gz DCGDLEKKMLUTER-IAGOWNOFSA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419096855 1073778339 /nfs/dbraw/zinc/77/83/39/1073778339.db2.gz DCGDLEKKMLUTER-IRXDYDNUSA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419096856 1073778447 /nfs/dbraw/zinc/77/84/47/1073778447.db2.gz DCGDLEKKMLUTER-SJORKVTESA-N 2 1 393.532 -0.210 20 0 GBADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[nH+]c1 ZINC000419111035 1073785160 /nfs/dbraw/zinc/78/51/60/1073785160.db2.gz ZQQUQJLGVPEMBW-HNNXBMFYSA-N 2 1 390.488 -0.378 20 0 GBADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[nH+]c1 ZINC000419111041 1073785225 /nfs/dbraw/zinc/78/52/25/1073785225.db2.gz ZQQUQJLGVPEMBW-OAHLLOKOSA-N 2 1 390.488 -0.378 20 0 GBADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419115017 1073786422 /nfs/dbraw/zinc/78/64/22/1073786422.db2.gz IQANBHZXWBHGJX-KRWDZBQOSA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419115018 1073786268 /nfs/dbraw/zinc/78/62/68/1073786268.db2.gz IQANBHZXWBHGJX-QGZVFWFLSA-N 2 1 393.532 -0.354 20 0 GBADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000419115719 1073786062 /nfs/dbraw/zinc/78/60/62/1073786062.db2.gz KEWNJEQDLDJRIH-DLBZAZTESA-N 2 1 384.521 -0.266 20 0 GBADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000419115720 1073786331 /nfs/dbraw/zinc/78/63/31/1073786331.db2.gz KEWNJEQDLDJRIH-IAGOWNOFSA-N 2 1 384.521 -0.266 20 0 GBADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000419115721 1073786156 /nfs/dbraw/zinc/78/61/56/1073786156.db2.gz KEWNJEQDLDJRIH-IRXDYDNUSA-N 2 1 384.521 -0.266 20 0 GBADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCOCC1 ZINC000419115722 1073786106 /nfs/dbraw/zinc/78/61/06/1073786106.db2.gz KEWNJEQDLDJRIH-SJORKVTESA-N 2 1 384.521 -0.266 20 0 GBADMP CCC(CC)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419121030 1073782692 /nfs/dbraw/zinc/78/26/92/1073782692.db2.gz RFRYXMPUHDZWOJ-KRWDZBQOSA-N 2 1 383.537 -0.739 20 0 GBADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419121031 1073782927 /nfs/dbraw/zinc/78/29/27/1073782927.db2.gz RFRYXMPUHDZWOJ-QGZVFWFLSA-N 2 1 383.537 -0.739 20 0 GBADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419125333 1073783351 /nfs/dbraw/zinc/78/33/51/1073783351.db2.gz ZHPXAVDHNFKMAI-DLBZAZTESA-N 2 1 384.521 -0.184 20 0 GBADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419125334 1073783800 /nfs/dbraw/zinc/78/38/00/1073783800.db2.gz ZHPXAVDHNFKMAI-IAGOWNOFSA-N 2 1 384.521 -0.184 20 0 GBADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419125335 1073783488 /nfs/dbraw/zinc/78/34/88/1073783488.db2.gz ZHPXAVDHNFKMAI-IRXDYDNUSA-N 2 1 384.521 -0.184 20 0 GBADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419125336 1073783738 /nfs/dbraw/zinc/78/37/38/1073783738.db2.gz ZHPXAVDHNFKMAI-SJORKVTESA-N 2 1 384.521 -0.184 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000419127970 1073784736 /nfs/dbraw/zinc/78/47/36/1073784736.db2.gz UIESPYIVCZVOHA-FJIDUMEYSA-N 2 1 379.549 -0.040 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000419127971 1073784641 /nfs/dbraw/zinc/78/46/41/1073784641.db2.gz UIESPYIVCZVOHA-MHORFTMASA-N 2 1 379.549 -0.040 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000419127972 1073784550 /nfs/dbraw/zinc/78/45/50/1073784550.db2.gz UIESPYIVCZVOHA-MLHJIOFPSA-N 2 1 379.549 -0.040 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000419127973 1073784673 /nfs/dbraw/zinc/78/46/73/1073784673.db2.gz UIESPYIVCZVOHA-XSLAGTTESA-N 2 1 379.549 -0.040 20 0 GBADMP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000419144169 1073793102 /nfs/dbraw/zinc/79/31/02/1073793102.db2.gz ZVVFLKNBCMXCQD-CVEARBPZSA-N 2 1 395.548 -0.108 20 0 GBADMP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000419144170 1073792941 /nfs/dbraw/zinc/79/29/41/1073792941.db2.gz ZVVFLKNBCMXCQD-HOTGVXAUSA-N 2 1 395.548 -0.108 20 0 GBADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000419144171 1073793189 /nfs/dbraw/zinc/79/31/89/1073793189.db2.gz ZVVFLKNBCMXCQD-HZPDHXFCSA-N 2 1 395.548 -0.108 20 0 GBADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C ZINC000419144172 1073793225 /nfs/dbraw/zinc/79/32/25/1073793225.db2.gz ZVVFLKNBCMXCQD-JKSUJKDBSA-N 2 1 395.548 -0.108 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419158483 1073794514 /nfs/dbraw/zinc/79/45/14/1073794514.db2.gz XWNITQBBLOLKAH-AAEUAGOBSA-N 2 1 377.411 -0.708 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419158484 1073794476 /nfs/dbraw/zinc/79/44/76/1073794476.db2.gz XWNITQBBLOLKAH-DGCLKSJQSA-N 2 1 377.411 -0.708 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000419158485 1073794553 /nfs/dbraw/zinc/79/45/53/1073794553.db2.gz XWNITQBBLOLKAH-WCQYABFASA-N 2 1 377.411 -0.708 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000419158486 1073794877 /nfs/dbraw/zinc/79/48/77/1073794877.db2.gz XWNITQBBLOLKAH-YPMHNXCESA-N 2 1 377.411 -0.708 20 0 GBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158514 1073794970 /nfs/dbraw/zinc/79/49/70/1073794970.db2.gz WIMFOTZLTIHNIU-DLBZAZTESA-N 2 1 395.548 -0.216 20 0 GBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158515 1073794632 /nfs/dbraw/zinc/79/46/32/1073794632.db2.gz WIMFOTZLTIHNIU-IAGOWNOFSA-N 2 1 395.548 -0.216 20 0 GBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158516 1073794958 /nfs/dbraw/zinc/79/49/58/1073794958.db2.gz WIMFOTZLTIHNIU-IRXDYDNUSA-N 2 1 395.548 -0.216 20 0 GBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158517 1073794608 /nfs/dbraw/zinc/79/46/08/1073794608.db2.gz WIMFOTZLTIHNIU-SJORKVTESA-N 2 1 395.548 -0.216 20 0 GBADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419158716 1073795513 /nfs/dbraw/zinc/79/55/13/1073795513.db2.gz NCLHYZVEEOTSAJ-INIZCTEOSA-N 2 1 379.505 -0.743 20 0 GBADMP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419158717 1073795580 /nfs/dbraw/zinc/79/55/80/1073795580.db2.gz NCLHYZVEEOTSAJ-MRXNPFEDSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419160467 1073795639 /nfs/dbraw/zinc/79/56/39/1073795639.db2.gz HLIOCGGEVNNABB-CVEARBPZSA-N 2 1 389.504 -0.686 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419160468 1073795907 /nfs/dbraw/zinc/79/59/07/1073795907.db2.gz HLIOCGGEVNNABB-HOTGVXAUSA-N 2 1 389.504 -0.686 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C[NH2+]1 ZINC000419160469 1073795676 /nfs/dbraw/zinc/79/56/76/1073795676.db2.gz HLIOCGGEVNNABB-HZPDHXFCSA-N 2 1 389.504 -0.686 20 0 GBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419160470 1073795873 /nfs/dbraw/zinc/79/58/73/1073795873.db2.gz HLIOCGGEVNNABB-JKSUJKDBSA-N 2 1 389.504 -0.686 20 0 GBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419160694 1073796309 /nfs/dbraw/zinc/79/63/09/1073796309.db2.gz HOPCRHSTKVXTSP-CVEARBPZSA-N 2 1 389.504 -0.781 20 0 GBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419160695 1073796504 /nfs/dbraw/zinc/79/65/04/1073796504.db2.gz HOPCRHSTKVXTSP-HOTGVXAUSA-N 2 1 389.504 -0.781 20 0 GBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419160696 1073796815 /nfs/dbraw/zinc/79/68/15/1073796815.db2.gz HOPCRHSTKVXTSP-HZPDHXFCSA-N 2 1 389.504 -0.781 20 0 GBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419160697 1073796832 /nfs/dbraw/zinc/79/68/32/1073796832.db2.gz HOPCRHSTKVXTSP-JKSUJKDBSA-N 2 1 389.504 -0.781 20 0 GBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419161131 1073795550 /nfs/dbraw/zinc/79/55/50/1073795550.db2.gz IGNCTBJCSWKDJU-HNNXBMFYSA-N 2 1 377.493 -0.796 20 0 GBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419161132 1073795934 /nfs/dbraw/zinc/79/59/34/1073795934.db2.gz IGNCTBJCSWKDJU-OAHLLOKOSA-N 2 1 377.493 -0.796 20 0 GBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419162441 1073796761 /nfs/dbraw/zinc/79/67/61/1073796761.db2.gz JYVMRNCUKUYAKM-INIZCTEOSA-N 2 1 389.504 -0.685 20 0 GBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419162442 1073796594 /nfs/dbraw/zinc/79/65/94/1073796594.db2.gz JYVMRNCUKUYAKM-MRXNPFEDSA-N 2 1 389.504 -0.685 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162583 1073796377 /nfs/dbraw/zinc/79/63/77/1073796377.db2.gz UXMUEXPMQDSYPO-DLBZAZTESA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162584 1073796732 /nfs/dbraw/zinc/79/67/32/1073796732.db2.gz UXMUEXPMQDSYPO-IAGOWNOFSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162587 1073796802 /nfs/dbraw/zinc/79/68/02/1073796802.db2.gz UXMUEXPMQDSYPO-IRXDYDNUSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCC(C)CC1 ZINC000419162589 1073796664 /nfs/dbraw/zinc/79/66/64/1073796664.db2.gz UXMUEXPMQDSYPO-SJORKVTESA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166228 1073798629 /nfs/dbraw/zinc/79/86/29/1073798629.db2.gz HISTUKPMXAERAD-DLBZAZTESA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166228 1073798622 /nfs/dbraw/zinc/79/86/22/1073798622.db2.gz HISTUKPMXAERAD-DLBZAZTESA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166230 1073798045 /nfs/dbraw/zinc/79/80/45/1073798045.db2.gz HISTUKPMXAERAD-IAGOWNOFSA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166230 1073798038 /nfs/dbraw/zinc/79/80/38/1073798038.db2.gz HISTUKPMXAERAD-IAGOWNOFSA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166232 1073798186 /nfs/dbraw/zinc/79/81/86/1073798186.db2.gz HISTUKPMXAERAD-IRXDYDNUSA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166232 1073798178 /nfs/dbraw/zinc/79/81/78/1073798178.db2.gz HISTUKPMXAERAD-IRXDYDNUSA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166233 1073797987 /nfs/dbraw/zinc/79/79/87/1073797987.db2.gz HISTUKPMXAERAD-SJORKVTESA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419166233 1073797980 /nfs/dbraw/zinc/79/79/80/1073797980.db2.gz HISTUKPMXAERAD-SJORKVTESA-N 2 1 393.532 -0.354 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166470 1073797506 /nfs/dbraw/zinc/79/75/06/1073797506.db2.gz OUTCKRUHTICQIO-MSOLQXFVSA-N 2 1 390.484 -0.420 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166471 1073798260 /nfs/dbraw/zinc/79/82/60/1073798260.db2.gz OUTCKRUHTICQIO-QZTJIDSGSA-N 2 1 390.484 -0.420 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166472 1073798241 /nfs/dbraw/zinc/79/82/41/1073798241.db2.gz OUTCKRUHTICQIO-ROUUACIJSA-N 2 1 390.484 -0.420 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166473 1073798390 /nfs/dbraw/zinc/79/83/90/1073798390.db2.gz OUTCKRUHTICQIO-ZWKOTPCHSA-N 2 1 390.484 -0.420 20 0 GBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419167548 1073798333 /nfs/dbraw/zinc/79/83/33/1073798333.db2.gz PQXSXHTZSSRUNV-INIZCTEOSA-N 2 1 391.520 -0.406 20 0 GBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419167550 1073798120 /nfs/dbraw/zinc/79/81/20/1073798120.db2.gz PQXSXHTZSSRUNV-MRXNPFEDSA-N 2 1 391.520 -0.406 20 0 GBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168444 1073803788 /nfs/dbraw/zinc/80/37/88/1073803788.db2.gz SGQKFIIIXCITSB-KRWDZBQOSA-N 2 1 378.473 -0.827 20 0 GBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168445 1073803668 /nfs/dbraw/zinc/80/36/68/1073803668.db2.gz SGQKFIIIXCITSB-QGZVFWFLSA-N 2 1 378.473 -0.827 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419170803 1073799068 /nfs/dbraw/zinc/79/90/68/1073799068.db2.gz WQHSLZHQFXGHDL-MSOLQXFVSA-N 2 1 390.484 -0.502 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419170804 1073799253 /nfs/dbraw/zinc/79/92/53/1073799253.db2.gz WQHSLZHQFXGHDL-QZTJIDSGSA-N 2 1 390.484 -0.502 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419170805 1073799503 /nfs/dbraw/zinc/79/95/03/1073799503.db2.gz WQHSLZHQFXGHDL-ROUUACIJSA-N 2 1 390.484 -0.502 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419170806 1073800474 /nfs/dbraw/zinc/80/04/74/1073800474.db2.gz WQHSLZHQFXGHDL-ZWKOTPCHSA-N 2 1 390.484 -0.502 20 0 GBADMP CC1(C)CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000419171003 1073799429 /nfs/dbraw/zinc/79/94/29/1073799429.db2.gz SYDSFPWTAGZNAJ-UHFFFAOYSA-N 2 1 389.504 -0.685 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)[NH2+]1 ZINC000419172115 1073800597 /nfs/dbraw/zinc/80/05/97/1073800597.db2.gz UJCBHYATBDSJFL-HOTGVXAUSA-N 2 1 389.504 -0.686 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H](C)[NH2+]1 ZINC000419172117 1073800023 /nfs/dbraw/zinc/80/00/23/1073800023.db2.gz UJCBHYATBDSJFL-HZPDHXFCSA-N 2 1 389.504 -0.686 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)[NH2+]1 ZINC000419172120 1073800824 /nfs/dbraw/zinc/80/08/24/1073800824.db2.gz UJCBHYATBDSJFL-IYBDPMFKSA-N 2 1 389.504 -0.686 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419173594 1073800049 /nfs/dbraw/zinc/80/00/49/1073800049.db2.gz VRGNFMTYUBHRQB-INIZCTEOSA-N 2 1 389.504 -0.637 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419173597 1073800116 /nfs/dbraw/zinc/80/01/16/1073800116.db2.gz VRGNFMTYUBHRQB-MRXNPFEDSA-N 2 1 389.504 -0.637 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419174343 1073801139 /nfs/dbraw/zinc/80/11/39/1073801139.db2.gz VIDJTUYPIYJOLS-IBGZPJMESA-N 2 1 387.528 -0.311 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419174344 1073801628 /nfs/dbraw/zinc/80/16/28/1073801628.db2.gz VIDJTUYPIYJOLS-LJQANCHMSA-N 2 1 387.528 -0.311 20 0 GBADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419176039 1073802979 /nfs/dbraw/zinc/80/29/79/1073802979.db2.gz YFBWTBCIYSHKQB-UHFFFAOYSA-N 2 1 391.520 -0.261 20 0 GBADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C[C@H](C)O1 ZINC000419212408 1073834667 /nfs/dbraw/zinc/83/46/67/1073834667.db2.gz JZPQVONPBLCCAC-IYBDPMFKSA-N 2 1 392.500 -0.308 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419216604 1073849730 /nfs/dbraw/zinc/84/97/30/1073849730.db2.gz BUWCBLSBFVVZED-AWEZNQCLSA-N 2 1 391.438 -0.293 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419216605 1073850243 /nfs/dbraw/zinc/85/02/43/1073850243.db2.gz BUWCBLSBFVVZED-CQSZACIVSA-N 2 1 391.438 -0.293 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419227118 1073868266 /nfs/dbraw/zinc/86/82/66/1073868266.db2.gz SDEUWXHVPCBFKZ-INIZCTEOSA-N 2 1 379.505 -0.399 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419227119 1073868191 /nfs/dbraw/zinc/86/81/91/1073868191.db2.gz SDEUWXHVPCBFKZ-MRXNPFEDSA-N 2 1 379.505 -0.399 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419228245 1073869548 /nfs/dbraw/zinc/86/95/48/1073869548.db2.gz GQSWJRCTISJWHG-AWEZNQCLSA-N 2 1 379.530 -0.368 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419228245 1073869537 /nfs/dbraw/zinc/86/95/37/1073869537.db2.gz GQSWJRCTISJWHG-AWEZNQCLSA-N 2 1 379.530 -0.368 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419228250 1073869168 /nfs/dbraw/zinc/86/91/68/1073869168.db2.gz GQSWJRCTISJWHG-CQSZACIVSA-N 2 1 379.530 -0.368 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419228250 1073869162 /nfs/dbraw/zinc/86/91/62/1073869162.db2.gz GQSWJRCTISJWHG-CQSZACIVSA-N 2 1 379.530 -0.368 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228946 1073869060 /nfs/dbraw/zinc/86/90/60/1073869060.db2.gz WFAGAAJAFJASMM-KRWDZBQOSA-N 2 1 391.516 -0.575 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228947 1073868867 /nfs/dbraw/zinc/86/88/67/1073868867.db2.gz WFAGAAJAFJASMM-QGZVFWFLSA-N 2 1 391.516 -0.575 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000419229456 1073870759 /nfs/dbraw/zinc/87/07/59/1073870759.db2.gz XDSSNNZUJFBJKX-SJORKVTESA-N 2 1 376.501 -0.018 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419230967 1073873314 /nfs/dbraw/zinc/87/33/14/1073873314.db2.gz QRHXERADVJVRRV-DLBZAZTESA-N 2 1 393.532 -0.319 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419230968 1073872705 /nfs/dbraw/zinc/87/27/05/1073872705.db2.gz QRHXERADVJVRRV-IAGOWNOFSA-N 2 1 393.532 -0.319 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419230969 1073872131 /nfs/dbraw/zinc/87/21/31/1073872131.db2.gz QRHXERADVJVRRV-IRXDYDNUSA-N 2 1 393.532 -0.319 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000419230970 1073871824 /nfs/dbraw/zinc/87/18/24/1073871824.db2.gz QRHXERADVJVRRV-SJORKVTESA-N 2 1 393.532 -0.319 20 0 GBADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419234606 1073873992 /nfs/dbraw/zinc/87/39/92/1073873992.db2.gz MEUVZGOIERJHRV-KRWDZBQOSA-N 2 1 393.532 -0.210 20 0 GBADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419234609 1073874294 /nfs/dbraw/zinc/87/42/94/1073874294.db2.gz MEUVZGOIERJHRV-QGZVFWFLSA-N 2 1 393.532 -0.210 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419288053 1073895389 /nfs/dbraw/zinc/89/53/89/1073895389.db2.gz QWOKMGPGMMGAFU-DLBZAZTESA-N 2 1 395.548 -0.059 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419288056 1073895945 /nfs/dbraw/zinc/89/59/45/1073895945.db2.gz QWOKMGPGMMGAFU-IAGOWNOFSA-N 2 1 395.548 -0.059 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419288058 1073895769 /nfs/dbraw/zinc/89/57/69/1073895769.db2.gz QWOKMGPGMMGAFU-IRXDYDNUSA-N 2 1 395.548 -0.059 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419288061 1073895287 /nfs/dbraw/zinc/89/52/87/1073895287.db2.gz QWOKMGPGMMGAFU-SJORKVTESA-N 2 1 395.548 -0.059 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419288254 1073895864 /nfs/dbraw/zinc/89/58/64/1073895864.db2.gz RRGGQVQEEOSYRJ-INIZCTEOSA-N 2 1 381.521 -0.495 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419288255 1073895984 /nfs/dbraw/zinc/89/59/84/1073895984.db2.gz RRGGQVQEEOSYRJ-MRXNPFEDSA-N 2 1 381.521 -0.495 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000419308480 1073902032 /nfs/dbraw/zinc/90/20/32/1073902032.db2.gz AURLYXWDONTWCJ-FMKPAKJESA-N 2 1 379.505 -0.426 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000419308481 1073902116 /nfs/dbraw/zinc/90/21/16/1073902116.db2.gz AURLYXWDONTWCJ-IIAWOOMASA-N 2 1 379.505 -0.426 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000419308482 1073902061 /nfs/dbraw/zinc/90/20/61/1073902061.db2.gz AURLYXWDONTWCJ-IJEWVQPXSA-N 2 1 379.505 -0.426 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@H+]1C1CC1 ZINC000419308483 1073902189 /nfs/dbraw/zinc/90/21/89/1073902189.db2.gz AURLYXWDONTWCJ-YCPHGPKFSA-N 2 1 379.505 -0.426 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310685 1073901469 /nfs/dbraw/zinc/90/14/69/1073901469.db2.gz ATDOZOLFMDAMAX-BNOWGMLFSA-N 2 1 391.438 -0.462 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310692 1073900833 /nfs/dbraw/zinc/90/08/33/1073900833.db2.gz ATDOZOLFMDAMAX-KWCYVHTRSA-N 2 1 391.438 -0.462 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310695 1073902174 /nfs/dbraw/zinc/90/21/74/1073902174.db2.gz ATDOZOLFMDAMAX-MRVWCRGKSA-N 2 1 391.438 -0.462 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310697 1073901865 /nfs/dbraw/zinc/90/18/65/1073901865.db2.gz ATDOZOLFMDAMAX-XBFCOCLRSA-N 2 1 391.438 -0.462 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@H+]1C1CC1 ZINC000419326584 1073908616 /nfs/dbraw/zinc/90/86/16/1073908616.db2.gz YLFPEZATFHLSGI-BZPMIXESSA-N 2 1 391.438 -0.320 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@H+]1C1CC1 ZINC000419326585 1073908320 /nfs/dbraw/zinc/90/83/20/1073908320.db2.gz YLFPEZATFHLSGI-DYEKYZERSA-N 2 1 391.438 -0.320 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@H+]1C1CC1 ZINC000419326586 1073908253 /nfs/dbraw/zinc/90/82/53/1073908253.db2.gz YLFPEZATFHLSGI-MBNYWOFBSA-N 2 1 391.438 -0.320 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@H+]1C1CC1 ZINC000419326587 1073908302 /nfs/dbraw/zinc/90/83/02/1073908302.db2.gz YLFPEZATFHLSGI-YRGRVCCFSA-N 2 1 391.438 -0.320 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419327799 1073908054 /nfs/dbraw/zinc/90/80/54/1073908054.db2.gz DQQUJWITOCGQQI-BMFZPTHFSA-N 2 1 379.505 -0.569 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419327800 1073908092 /nfs/dbraw/zinc/90/80/92/1073908092.db2.gz DQQUJWITOCGQQI-FVQBIDKESA-N 2 1 379.505 -0.569 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419327801 1073907882 /nfs/dbraw/zinc/90/78/82/1073907882.db2.gz DQQUJWITOCGQQI-KBMXLJTQSA-N 2 1 379.505 -0.569 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419327802 1073908337 /nfs/dbraw/zinc/90/83/37/1073908337.db2.gz DQQUJWITOCGQQI-VNQPRFMTSA-N 2 1 379.505 -0.569 20 0 GBADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000419329990 1073909675 /nfs/dbraw/zinc/90/96/75/1073909675.db2.gz FTCJPBFJPVZFAC-UHFFFAOYSA-N 2 1 391.516 -0.780 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419338033 1073912063 /nfs/dbraw/zinc/91/20/63/1073912063.db2.gz BRODFXZDVYVBBZ-UHFFFAOYSA-N 2 1 381.521 -0.305 20 0 GBADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419340406 1073913769 /nfs/dbraw/zinc/91/37/69/1073913769.db2.gz NCMBNBPTEIQWQK-UHFFFAOYSA-N 2 1 391.516 -0.780 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419341974 1073913088 /nfs/dbraw/zinc/91/30/88/1073913088.db2.gz BKRYLPCIDUJZRN-CVEARBPZSA-N 2 1 381.521 -0.286 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419341975 1073914164 /nfs/dbraw/zinc/91/41/64/1073914164.db2.gz BKRYLPCIDUJZRN-HOTGVXAUSA-N 2 1 381.521 -0.286 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419341976 1073914081 /nfs/dbraw/zinc/91/40/81/1073914081.db2.gz BKRYLPCIDUJZRN-HZPDHXFCSA-N 2 1 381.521 -0.286 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419341977 1073914331 /nfs/dbraw/zinc/91/43/31/1073914331.db2.gz BKRYLPCIDUJZRN-JKSUJKDBSA-N 2 1 381.521 -0.286 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419342280 1073914312 /nfs/dbraw/zinc/91/43/12/1073914312.db2.gz BYUYTXONNNDGLI-KRWDZBQOSA-N 2 1 389.500 -0.323 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419342281 1073914102 /nfs/dbraw/zinc/91/41/02/1073914102.db2.gz BYUYTXONNNDGLI-QGZVFWFLSA-N 2 1 389.500 -0.323 20 0 GBADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343844 1073914971 /nfs/dbraw/zinc/91/49/71/1073914971.db2.gz GQJAECDKNKANPV-CABCVRRESA-N 2 1 381.521 -0.416 20 0 GBADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343845 1073915243 /nfs/dbraw/zinc/91/52/43/1073915243.db2.gz GQJAECDKNKANPV-GJZGRUSLSA-N 2 1 381.521 -0.416 20 0 GBADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343846 1073914983 /nfs/dbraw/zinc/91/49/83/1073914983.db2.gz GQJAECDKNKANPV-HUUCEWRRSA-N 2 1 381.521 -0.416 20 0 GBADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343847 1073915149 /nfs/dbraw/zinc/91/51/49/1073915149.db2.gz GQJAECDKNKANPV-LSDHHAIUSA-N 2 1 381.521 -0.416 20 0 GBADMP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cn2)CC1 ZINC000419344854 1073916347 /nfs/dbraw/zinc/91/63/47/1073916347.db2.gz SIKLYPSRIFTQRT-UHFFFAOYSA-N 2 1 384.431 -0.450 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419347491 1073917077 /nfs/dbraw/zinc/91/70/77/1073917077.db2.gz QGRVKICCSZJTIG-HNNXBMFYSA-N 2 1 381.521 -0.142 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419347492 1073917037 /nfs/dbraw/zinc/91/70/37/1073917037.db2.gz QGRVKICCSZJTIG-OAHLLOKOSA-N 2 1 381.521 -0.142 20 0 GBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419349908 1073918296 /nfs/dbraw/zinc/91/82/96/1073918296.db2.gz FBJXPSHAUFJSQN-GOSISDBHSA-N 2 1 388.516 -0.080 20 0 GBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419349909 1073918402 /nfs/dbraw/zinc/91/84/02/1073918402.db2.gz FBJXPSHAUFJSQN-SFHVURJKSA-N 2 1 388.516 -0.080 20 0 GBADMP C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350444 1073918552 /nfs/dbraw/zinc/91/85/52/1073918552.db2.gz FXBAYWNTCVXOCR-UHFFFAOYSA-N 2 1 376.505 -0.222 20 0 GBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350668 1073918284 /nfs/dbraw/zinc/91/82/84/1073918284.db2.gz GGMJUARQHPABCX-INIZCTEOSA-N 2 1 376.505 -0.318 20 0 GBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350669 1073918170 /nfs/dbraw/zinc/91/81/70/1073918170.db2.gz GGMJUARQHPABCX-MRXNPFEDSA-N 2 1 376.505 -0.318 20 0 GBADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350901 1073919131 /nfs/dbraw/zinc/91/91/31/1073919131.db2.gz GLBATEDPHZWFKM-KRWDZBQOSA-N 2 1 376.505 -0.191 20 0 GBADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350902 1073919288 /nfs/dbraw/zinc/91/92/88/1073919288.db2.gz GLBATEDPHZWFKM-QGZVFWFLSA-N 2 1 376.505 -0.191 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419351608 1073918453 /nfs/dbraw/zinc/91/84/53/1073918453.db2.gz HSESVUPPXADKKA-QGZVFWFLSA-N 2 1 388.516 -0.032 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419351962 1073919387 /nfs/dbraw/zinc/91/93/87/1073919387.db2.gz IDJWHVHQGHSLOI-KRWDZBQOSA-N 2 1 388.516 -0.032 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419351963 1073919228 /nfs/dbraw/zinc/91/92/28/1073919228.db2.gz IDJWHVHQGHSLOI-QGZVFWFLSA-N 2 1 388.516 -0.032 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419354062 1073921328 /nfs/dbraw/zinc/92/13/28/1073921328.db2.gz KJZGAMIYPXEIMN-AEFFLSMTSA-N 2 1 386.500 -0.470 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419360374 1073924862 /nfs/dbraw/zinc/92/48/62/1073924862.db2.gz RNUKJNBDBRGOHS-CALCHBBNSA-N 2 1 386.500 -0.612 20 0 GBADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419360388 1073925165 /nfs/dbraw/zinc/92/51/65/1073925165.db2.gz ROKSCKZJKZOALU-MRXNPFEDSA-N 2 1 376.505 -0.176 20 0 GBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419361445 1073926381 /nfs/dbraw/zinc/92/63/81/1073926381.db2.gz SKTOEFUMUKREPN-AEFFLSMTSA-N 2 1 388.516 -0.176 20 0 GBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419361446 1073926785 /nfs/dbraw/zinc/92/67/85/1073926785.db2.gz SKTOEFUMUKREPN-FUHWJXTLSA-N 2 1 388.516 -0.176 20 0 GBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419361447 1073926680 /nfs/dbraw/zinc/92/66/80/1073926680.db2.gz SKTOEFUMUKREPN-SJLPKXTDSA-N 2 1 388.516 -0.176 20 0 GBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419361448 1073926437 /nfs/dbraw/zinc/92/64/37/1073926437.db2.gz SKTOEFUMUKREPN-WMZOPIPTSA-N 2 1 388.516 -0.176 20 0 GBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419362069 1073926724 /nfs/dbraw/zinc/92/67/24/1073926724.db2.gz UGDXZQMQZADYAT-MSOLQXFVSA-N 2 1 392.500 -0.049 20 0 GBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419362070 1073926592 /nfs/dbraw/zinc/92/65/92/1073926592.db2.gz UGDXZQMQZADYAT-QZTJIDSGSA-N 2 1 392.500 -0.049 20 0 GBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419362071 1073926152 /nfs/dbraw/zinc/92/61/52/1073926152.db2.gz UGDXZQMQZADYAT-ROUUACIJSA-N 2 1 392.500 -0.049 20 0 GBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419362072 1073926073 /nfs/dbraw/zinc/92/60/73/1073926073.db2.gz UGDXZQMQZADYAT-ZWKOTPCHSA-N 2 1 392.500 -0.049 20 0 GBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000419363158 1073927652 /nfs/dbraw/zinc/92/76/52/1073927652.db2.gz VCDUMIVSALQNIP-INIZCTEOSA-N 2 1 378.473 -0.138 20 0 GBADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000419363158 1073927650 /nfs/dbraw/zinc/92/76/50/1073927650.db2.gz VCDUMIVSALQNIP-INIZCTEOSA-N 2 1 378.473 -0.138 20 0 GBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000419363159 1073927310 /nfs/dbraw/zinc/92/73/10/1073927310.db2.gz VCDUMIVSALQNIP-MRXNPFEDSA-N 2 1 378.473 -0.138 20 0 GBADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000419363159 1073927306 /nfs/dbraw/zinc/92/73/06/1073927306.db2.gz VCDUMIVSALQNIP-MRXNPFEDSA-N 2 1 378.473 -0.138 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419367615 1073928214 /nfs/dbraw/zinc/92/82/14/1073928214.db2.gz DHYBDQZKIFSOBI-UHFFFAOYSA-N 2 1 375.473 -0.746 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000419373126 1073931541 /nfs/dbraw/zinc/93/15/41/1073931541.db2.gz NOAFQUCTGWJQFI-UHFFFAOYSA-N 2 1 389.500 -0.356 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419381336 1073935397 /nfs/dbraw/zinc/93/53/97/1073935397.db2.gz YHKCAIJTXBRKDC-DLBZAZTESA-N 2 1 393.532 -0.353 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419381337 1073935329 /nfs/dbraw/zinc/93/53/29/1073935329.db2.gz YHKCAIJTXBRKDC-IAGOWNOFSA-N 2 1 393.532 -0.353 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419381339 1073935437 /nfs/dbraw/zinc/93/54/37/1073935437.db2.gz YHKCAIJTXBRKDC-IRXDYDNUSA-N 2 1 393.532 -0.353 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419381341 1073935388 /nfs/dbraw/zinc/93/53/88/1073935388.db2.gz YHKCAIJTXBRKDC-SJORKVTESA-N 2 1 393.532 -0.353 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419381829 1073933803 /nfs/dbraw/zinc/93/38/03/1073933803.db2.gz YSHORSQEUSZYGQ-DLBZAZTESA-N 2 1 387.484 -0.780 20 0 GBADMP CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419388707 1073939626 /nfs/dbraw/zinc/93/96/26/1073939626.db2.gz BWIRJGMWODERQI-MSOLQXFVSA-N 2 1 392.500 -0.438 20 0 GBADMP CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419388707 1073939617 /nfs/dbraw/zinc/93/96/17/1073939617.db2.gz BWIRJGMWODERQI-MSOLQXFVSA-N 2 1 392.500 -0.438 20 0 GBADMP CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419388708 1073939519 /nfs/dbraw/zinc/93/95/19/1073939519.db2.gz BWIRJGMWODERQI-QZTJIDSGSA-N 2 1 392.500 -0.438 20 0 GBADMP CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419388708 1073939512 /nfs/dbraw/zinc/93/95/12/1073939512.db2.gz BWIRJGMWODERQI-QZTJIDSGSA-N 2 1 392.500 -0.438 20 0 GBADMP CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419388709 1073939575 /nfs/dbraw/zinc/93/95/75/1073939575.db2.gz BWIRJGMWODERQI-ROUUACIJSA-N 2 1 392.500 -0.438 20 0 GBADMP CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419388709 1073939573 /nfs/dbraw/zinc/93/95/73/1073939573.db2.gz BWIRJGMWODERQI-ROUUACIJSA-N 2 1 392.500 -0.438 20 0 GBADMP CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419388710 1073939457 /nfs/dbraw/zinc/93/94/57/1073939457.db2.gz BWIRJGMWODERQI-ZWKOTPCHSA-N 2 1 392.500 -0.438 20 0 GBADMP CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419388710 1073939450 /nfs/dbraw/zinc/93/94/50/1073939450.db2.gz BWIRJGMWODERQI-ZWKOTPCHSA-N 2 1 392.500 -0.438 20 0 GBADMP CC(C)(CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419392559 1073952590 /nfs/dbraw/zinc/95/25/90/1073952590.db2.gz LIJDPTVNRXWYEN-UHFFFAOYSA-N 2 1 387.528 -0.039 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419398650 1072162194 /nfs/dbraw/zinc/16/21/94/1072162194.db2.gz IFYCMALIJOFDOZ-DLBZAZTESA-N 2 1 392.525 -0.094 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419398650 1072162180 /nfs/dbraw/zinc/16/21/80/1072162180.db2.gz IFYCMALIJOFDOZ-DLBZAZTESA-N 2 1 392.525 -0.094 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419398651 1072162281 /nfs/dbraw/zinc/16/22/81/1072162281.db2.gz IFYCMALIJOFDOZ-IAGOWNOFSA-N 2 1 392.525 -0.094 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419398651 1072162272 /nfs/dbraw/zinc/16/22/72/1072162272.db2.gz IFYCMALIJOFDOZ-IAGOWNOFSA-N 2 1 392.525 -0.094 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419398652 1072162351 /nfs/dbraw/zinc/16/23/51/1072162351.db2.gz IFYCMALIJOFDOZ-IRXDYDNUSA-N 2 1 392.525 -0.094 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419398652 1072162342 /nfs/dbraw/zinc/16/23/42/1072162342.db2.gz IFYCMALIJOFDOZ-IRXDYDNUSA-N 2 1 392.525 -0.094 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000419398653 1072162467 /nfs/dbraw/zinc/16/24/67/1072162467.db2.gz IFYCMALIJOFDOZ-SJORKVTESA-N 2 1 392.525 -0.094 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000419398653 1072162463 /nfs/dbraw/zinc/16/24/63/1072162463.db2.gz IFYCMALIJOFDOZ-SJORKVTESA-N 2 1 392.525 -0.094 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401887 1072162309 /nfs/dbraw/zinc/16/23/09/1072162309.db2.gz BHLHQWIAUPRDPT-KBPBESRZSA-N 2 1 393.454 -0.213 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401888 1072162616 /nfs/dbraw/zinc/16/26/16/1072162616.db2.gz BHLHQWIAUPRDPT-KGLIPLIRSA-N 2 1 393.454 -0.213 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401890 1072162516 /nfs/dbraw/zinc/16/25/16/1072162516.db2.gz BHLHQWIAUPRDPT-UONOGXRCSA-N 2 1 393.454 -0.213 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401892 1072162397 /nfs/dbraw/zinc/16/23/97/1072162397.db2.gz BHLHQWIAUPRDPT-ZIAGYGMSSA-N 2 1 393.454 -0.213 20 0 GBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419404255 1072161971 /nfs/dbraw/zinc/16/19/71/1072161971.db2.gz SRALVFLTRMQYMW-INIZCTEOSA-N 2 1 380.514 -0.500 20 0 GBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419404255 1072161967 /nfs/dbraw/zinc/16/19/67/1072161967.db2.gz SRALVFLTRMQYMW-INIZCTEOSA-N 2 1 380.514 -0.500 20 0 GBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419404256 1072162438 /nfs/dbraw/zinc/16/24/38/1072162438.db2.gz SRALVFLTRMQYMW-MRXNPFEDSA-N 2 1 380.514 -0.500 20 0 GBADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419404256 1072162432 /nfs/dbraw/zinc/16/24/32/1072162432.db2.gz SRALVFLTRMQYMW-MRXNPFEDSA-N 2 1 380.514 -0.500 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419404325 1072162547 /nfs/dbraw/zinc/16/25/47/1072162547.db2.gz SZNNPXJUPAGDAK-DLBZAZTESA-N 2 1 392.525 -0.175 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419404325 1072162545 /nfs/dbraw/zinc/16/25/45/1072162545.db2.gz SZNNPXJUPAGDAK-DLBZAZTESA-N 2 1 392.525 -0.175 20 0 GBADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419404327 1072162531 /nfs/dbraw/zinc/16/25/31/1072162531.db2.gz SZNNPXJUPAGDAK-IAGOWNOFSA-N 2 1 392.525 -0.175 20 0 GBADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419404327 1072162528 /nfs/dbraw/zinc/16/25/28/1072162528.db2.gz SZNNPXJUPAGDAK-IAGOWNOFSA-N 2 1 392.525 -0.175 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419404329 1072162116 /nfs/dbraw/zinc/16/21/16/1072162116.db2.gz SZNNPXJUPAGDAK-IRXDYDNUSA-N 2 1 392.525 -0.175 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419404329 1072162103 /nfs/dbraw/zinc/16/21/03/1072162103.db2.gz SZNNPXJUPAGDAK-IRXDYDNUSA-N 2 1 392.525 -0.175 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419404493 1072162029 /nfs/dbraw/zinc/16/20/29/1072162029.db2.gz SZNNPXJUPAGDAK-SJORKVTESA-N 2 1 392.525 -0.175 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419404493 1072162023 /nfs/dbraw/zinc/16/20/23/1072162023.db2.gz SZNNPXJUPAGDAK-SJORKVTESA-N 2 1 392.525 -0.175 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410970 1072164133 /nfs/dbraw/zinc/16/41/33/1072164133.db2.gz PHMDNNSOLMBLEK-DLBZAZTESA-N 2 1 393.532 -0.495 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410971 1072164451 /nfs/dbraw/zinc/16/44/51/1072164451.db2.gz PHMDNNSOLMBLEK-IAGOWNOFSA-N 2 1 393.532 -0.495 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410972 1072164567 /nfs/dbraw/zinc/16/45/67/1072164567.db2.gz PHMDNNSOLMBLEK-IRXDYDNUSA-N 2 1 393.532 -0.495 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410974 1072164497 /nfs/dbraw/zinc/16/44/97/1072164497.db2.gz PHMDNNSOLMBLEK-SJORKVTESA-N 2 1 393.532 -0.495 20 0 GBADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419411402 1072164547 /nfs/dbraw/zinc/16/45/47/1072164547.db2.gz BNDDZIWPXPDEHW-BGYRXZFFSA-N 2 1 399.539 -0.012 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413074 1072165191 /nfs/dbraw/zinc/16/51/91/1072165191.db2.gz RLCLSJSATMOAQS-CVEARBPZSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413074 1072165187 /nfs/dbraw/zinc/16/51/87/1072165187.db2.gz RLCLSJSATMOAQS-CVEARBPZSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413075 1072165123 /nfs/dbraw/zinc/16/51/23/1072165123.db2.gz RLCLSJSATMOAQS-HOTGVXAUSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413075 1072165118 /nfs/dbraw/zinc/16/51/18/1072165118.db2.gz RLCLSJSATMOAQS-HOTGVXAUSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413076 1072165790 /nfs/dbraw/zinc/16/57/90/1072165790.db2.gz RLCLSJSATMOAQS-HZPDHXFCSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413076 1072165786 /nfs/dbraw/zinc/16/57/86/1072165786.db2.gz RLCLSJSATMOAQS-HZPDHXFCSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413077 1072165433 /nfs/dbraw/zinc/16/54/33/1072165433.db2.gz RLCLSJSATMOAQS-JKSUJKDBSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000419413077 1072165428 /nfs/dbraw/zinc/16/54/28/1072165428.db2.gz RLCLSJSATMOAQS-JKSUJKDBSA-N 2 1 379.505 -0.743 20 0 GBADMP CC[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419414109 1072165229 /nfs/dbraw/zinc/16/52/29/1072165229.db2.gz SQMJRDGSTVPOLI-IBGZPJMESA-N 2 1 387.528 -0.039 20 0 GBADMP CC[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419414112 1072165026 /nfs/dbraw/zinc/16/50/26/1072165026.db2.gz SQMJRDGSTVPOLI-LJQANCHMSA-N 2 1 387.528 -0.039 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419416031 1072165761 /nfs/dbraw/zinc/16/57/61/1072165761.db2.gz VRUGDOTYEUOLPB-CVEARBPZSA-N 2 1 381.521 -0.319 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419416033 1072165536 /nfs/dbraw/zinc/16/55/36/1072165536.db2.gz VRUGDOTYEUOLPB-HOTGVXAUSA-N 2 1 381.521 -0.319 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419416034 1072165807 /nfs/dbraw/zinc/16/58/07/1072165807.db2.gz VRUGDOTYEUOLPB-HZPDHXFCSA-N 2 1 381.521 -0.319 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419416036 1072165744 /nfs/dbraw/zinc/16/57/44/1072165744.db2.gz VRUGDOTYEUOLPB-JKSUJKDBSA-N 2 1 381.521 -0.319 20 0 GBADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419416595 1072165487 /nfs/dbraw/zinc/16/54/87/1072165487.db2.gz WLDUTIZOUKDNIT-INIZCTEOSA-N 2 1 379.505 -0.743 20 0 GBADMP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419416597 1072165249 /nfs/dbraw/zinc/16/52/49/1072165249.db2.gz WLDUTIZOUKDNIT-MRXNPFEDSA-N 2 1 379.505 -0.743 20 0 GBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418395 1072163124 /nfs/dbraw/zinc/16/31/24/1072163124.db2.gz YHAUYUTYPDRBBS-DZGCQCFKSA-N 2 1 395.529 -0.220 20 0 GBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418399 1072163570 /nfs/dbraw/zinc/16/35/70/1072163570.db2.gz YHAUYUTYPDRBBS-HIFRSBDPSA-N 2 1 395.529 -0.220 20 0 GBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418402 1072163202 /nfs/dbraw/zinc/16/32/02/1072163202.db2.gz YHAUYUTYPDRBBS-UKRRQHHQSA-N 2 1 395.529 -0.220 20 0 GBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccsc1 ZINC000419418405 1072163315 /nfs/dbraw/zinc/16/33/15/1072163315.db2.gz YHAUYUTYPDRBBS-ZFWWWQNUSA-N 2 1 395.529 -0.220 20 0 GBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419420629 1072163631 /nfs/dbraw/zinc/16/36/31/1072163631.db2.gz JZYDBNRPOWPOKN-CVEARBPZSA-N 2 1 379.505 -0.600 20 0 GBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419420631 1072163508 /nfs/dbraw/zinc/16/35/08/1072163508.db2.gz JZYDBNRPOWPOKN-HOTGVXAUSA-N 2 1 379.505 -0.600 20 0 GBADMP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419420633 1072163259 /nfs/dbraw/zinc/16/32/59/1072163259.db2.gz JZYDBNRPOWPOKN-HZPDHXFCSA-N 2 1 379.505 -0.600 20 0 GBADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419420636 1072163212 /nfs/dbraw/zinc/16/32/12/1072163212.db2.gz JZYDBNRPOWPOKN-JKSUJKDBSA-N 2 1 379.505 -0.600 20 0 GBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000419424409 1072163361 /nfs/dbraw/zinc/16/33/61/1072163361.db2.gz UDJFPOPQFAMOEL-GOSISDBHSA-N 2 1 391.516 -0.739 20 0 GBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000419424409 1072163356 /nfs/dbraw/zinc/16/33/56/1072163356.db2.gz UDJFPOPQFAMOEL-GOSISDBHSA-N 2 1 391.516 -0.739 20 0 GBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000419424409 1072163352 /nfs/dbraw/zinc/16/33/52/1072163352.db2.gz UDJFPOPQFAMOEL-GOSISDBHSA-N 2 1 391.516 -0.739 20 0 GBADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000419424411 1072164591 /nfs/dbraw/zinc/16/45/91/1072164591.db2.gz UDJFPOPQFAMOEL-SFHVURJKSA-N 2 1 391.516 -0.739 20 0 GBADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000419424411 1072164590 /nfs/dbraw/zinc/16/45/90/1072164590.db2.gz UDJFPOPQFAMOEL-SFHVURJKSA-N 2 1 391.516 -0.739 20 0 GBADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000419424411 1072164588 /nfs/dbraw/zinc/16/45/88/1072164588.db2.gz UDJFPOPQFAMOEL-SFHVURJKSA-N 2 1 391.516 -0.739 20 0 GBADMP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419425182 1072539715 /nfs/dbraw/zinc/53/97/15/1072539715.db2.gz VLUXHDYFGGDLMT-UHFFFAOYSA-N 2 1 375.517 -0.012 20 0 GBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419426867 1072164510 /nfs/dbraw/zinc/16/45/10/1072164510.db2.gz RFGUQQMJOZOGQZ-BBWFWOEESA-N 2 1 395.548 -0.216 20 0 GBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419426870 1072164375 /nfs/dbraw/zinc/16/43/75/1072164375.db2.gz RFGUQQMJOZOGQZ-IXDOHACOSA-N 2 1 395.548 -0.216 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419443641 1072167192 /nfs/dbraw/zinc/16/71/92/1072167192.db2.gz BPZLYTMHPAURLO-KURKYZTESA-N 2 1 385.512 -0.009 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419443642 1072167370 /nfs/dbraw/zinc/16/73/70/1072167370.db2.gz BPZLYTMHPAURLO-OKZBNKHCSA-N 2 1 385.512 -0.009 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419443782 1072167375 /nfs/dbraw/zinc/16/73/75/1072167375.db2.gz BZSKWCLHMNLSEW-AEFFLSMTSA-N 2 1 389.500 -0.582 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419443785 1072167361 /nfs/dbraw/zinc/16/73/61/1072167361.db2.gz BZSKWCLHMNLSEW-FUHWJXTLSA-N 2 1 389.500 -0.582 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419443788 1072167233 /nfs/dbraw/zinc/16/72/33/1072167233.db2.gz BZSKWCLHMNLSEW-SJLPKXTDSA-N 2 1 389.500 -0.582 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419443792 1072167646 /nfs/dbraw/zinc/16/76/46/1072167646.db2.gz BZSKWCLHMNLSEW-WMZOPIPTSA-N 2 1 389.500 -0.582 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419452226 1072168156 /nfs/dbraw/zinc/16/81/56/1072168156.db2.gz OVLONBVWEDTHJP-INIZCTEOSA-N 2 1 377.489 -0.907 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419452227 1072168237 /nfs/dbraw/zinc/16/82/37/1072168237.db2.gz OVLONBVWEDTHJP-MRXNPFEDSA-N 2 1 377.489 -0.907 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419454423 1072166442 /nfs/dbraw/zinc/16/64/42/1072166442.db2.gz UBRGWZYEESTSKM-AEFFLSMTSA-N 2 1 389.500 -0.501 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419454424 1072166291 /nfs/dbraw/zinc/16/62/91/1072166291.db2.gz UBRGWZYEESTSKM-FUHWJXTLSA-N 2 1 389.500 -0.501 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419454425 1072166658 /nfs/dbraw/zinc/16/66/58/1072166658.db2.gz UBRGWZYEESTSKM-SJLPKXTDSA-N 2 1 389.500 -0.501 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419454426 1072166523 /nfs/dbraw/zinc/16/65/23/1072166523.db2.gz UBRGWZYEESTSKM-WMZOPIPTSA-N 2 1 389.500 -0.501 20 0 GBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484736 1072170139 /nfs/dbraw/zinc/17/01/39/1072170139.db2.gz UNDUABWAZAOULD-DLBZAZTESA-N 2 1 395.548 -0.072 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484737 1072169970 /nfs/dbraw/zinc/16/99/70/1072169970.db2.gz UNDUABWAZAOULD-IAGOWNOFSA-N 2 1 395.548 -0.072 20 0 GBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484738 1072170278 /nfs/dbraw/zinc/17/02/78/1072170278.db2.gz UNDUABWAZAOULD-IRXDYDNUSA-N 2 1 395.548 -0.072 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484739 1072170023 /nfs/dbraw/zinc/17/00/23/1072170023.db2.gz UNDUABWAZAOULD-SJORKVTESA-N 2 1 395.548 -0.072 20 0 GBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419500844 1072172073 /nfs/dbraw/zinc/17/20/73/1072172073.db2.gz ALCBNISZKGYAAC-CVEARBPZSA-N 2 1 383.537 -0.123 20 0 GBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419500845 1072171959 /nfs/dbraw/zinc/17/19/59/1072171959.db2.gz ALCBNISZKGYAAC-HOTGVXAUSA-N 2 1 383.537 -0.123 20 0 GBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419500846 1072172006 /nfs/dbraw/zinc/17/20/06/1072172006.db2.gz ALCBNISZKGYAAC-HZPDHXFCSA-N 2 1 383.537 -0.123 20 0 GBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419500847 1072171993 /nfs/dbraw/zinc/17/19/93/1072171993.db2.gz ALCBNISZKGYAAC-JKSUJKDBSA-N 2 1 383.537 -0.123 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501721 1072172106 /nfs/dbraw/zinc/17/21/06/1072172106.db2.gz DZDDSDLGMQDILN-KURKYZTESA-N 2 1 385.512 -0.009 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501722 1072171864 /nfs/dbraw/zinc/17/18/64/1072171864.db2.gz DZDDSDLGMQDILN-OKZBNKHCSA-N 2 1 385.512 -0.009 20 0 GBADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+]CC2)c1 ZINC000419503009 1072173152 /nfs/dbraw/zinc/17/31/52/1072173152.db2.gz CDBDYOTWUYRLBS-UHFFFAOYSA-N 2 1 378.473 -0.308 20 0 GBADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000419507230 1072173896 /nfs/dbraw/zinc/17/38/96/1072173896.db2.gz OIFCASPFGZGOGK-INIZCTEOSA-N 2 1 378.473 -0.181 20 0 GBADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000419507231 1072174073 /nfs/dbraw/zinc/17/40/73/1072174073.db2.gz OIFCASPFGZGOGK-MRXNPFEDSA-N 2 1 378.473 -0.181 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507321 1072173919 /nfs/dbraw/zinc/17/39/19/1072173919.db2.gz PFJSYZMDGRBPAH-AEFFLSMTSA-N 2 1 389.500 -0.501 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507322 1072173953 /nfs/dbraw/zinc/17/39/53/1072173953.db2.gz PFJSYZMDGRBPAH-FUHWJXTLSA-N 2 1 389.500 -0.501 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507323 1072174056 /nfs/dbraw/zinc/17/40/56/1072174056.db2.gz PFJSYZMDGRBPAH-SJLPKXTDSA-N 2 1 389.500 -0.501 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507324 1072174025 /nfs/dbraw/zinc/17/40/25/1072174025.db2.gz PFJSYZMDGRBPAH-WMZOPIPTSA-N 2 1 389.500 -0.501 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419508823 1072174087 /nfs/dbraw/zinc/17/40/87/1072174087.db2.gz DHBIMUFLFLEVBN-BBWFWOEESA-N 2 1 395.548 -0.060 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419508825 1072174043 /nfs/dbraw/zinc/17/40/43/1072174043.db2.gz DHBIMUFLFLEVBN-GVDBMIGSSA-N 2 1 395.548 -0.060 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419508827 1072173749 /nfs/dbraw/zinc/17/37/49/1072173749.db2.gz DHBIMUFLFLEVBN-ULQDDVLXSA-N 2 1 395.548 -0.060 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419508829 1072173998 /nfs/dbraw/zinc/17/39/98/1072173998.db2.gz DHBIMUFLFLEVBN-YESZJQIVSA-N 2 1 395.548 -0.060 20 0 GBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419509273 1072173718 /nfs/dbraw/zinc/17/37/18/1072173718.db2.gz FAMSZDYWBOFLMC-CVEARBPZSA-N 2 1 381.521 -0.497 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511087 1072174697 /nfs/dbraw/zinc/17/46/97/1072174697.db2.gz VCWXNIRHHCNUBL-INIZCTEOSA-N 2 1 377.489 -0.907 20 0 GBADMP C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511088 1072174652 /nfs/dbraw/zinc/17/46/52/1072174652.db2.gz VCWXNIRHHCNUBL-MRXNPFEDSA-N 2 1 377.489 -0.907 20 0 GBADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512939 1072175021 /nfs/dbraw/zinc/17/50/21/1072175021.db2.gz YIKPVYHXLLDVKN-AEFFLSMTSA-N 2 1 389.500 -0.582 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512940 1072175147 /nfs/dbraw/zinc/17/51/47/1072175147.db2.gz YIKPVYHXLLDVKN-FUHWJXTLSA-N 2 1 389.500 -0.582 20 0 GBADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512941 1072174833 /nfs/dbraw/zinc/17/48/33/1072174833.db2.gz YIKPVYHXLLDVKN-SJLPKXTDSA-N 2 1 389.500 -0.582 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512942 1072175850 /nfs/dbraw/zinc/17/58/50/1072175850.db2.gz YIKPVYHXLLDVKN-WMZOPIPTSA-N 2 1 389.500 -0.582 20 0 GBADMP Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000419518118 1072175748 /nfs/dbraw/zinc/17/57/48/1072175748.db2.gz XXSODRUREKOPKX-INIZCTEOSA-N 2 1 377.489 -0.137 20 0 GBADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000419518120 1072175739 /nfs/dbraw/zinc/17/57/39/1072175739.db2.gz XXSODRUREKOPKX-MRXNPFEDSA-N 2 1 377.489 -0.137 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419518991 1072175637 /nfs/dbraw/zinc/17/56/37/1072175637.db2.gz FAMSZDYWBOFLMC-HOTGVXAUSA-N 2 1 381.521 -0.497 20 0 GBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419518992 1072176005 /nfs/dbraw/zinc/17/60/05/1072176005.db2.gz FAMSZDYWBOFLMC-HZPDHXFCSA-N 2 1 381.521 -0.497 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419518993 1072175990 /nfs/dbraw/zinc/17/59/90/1072175990.db2.gz FAMSZDYWBOFLMC-JKSUJKDBSA-N 2 1 381.521 -0.497 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419519037 1072175717 /nfs/dbraw/zinc/17/57/17/1072175717.db2.gz FIUJYMATFGKSEI-BZUAXINKSA-N 2 1 381.521 -0.511 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419519038 1072175774 /nfs/dbraw/zinc/17/57/74/1072175774.db2.gz FIUJYMATFGKSEI-OAGGEKHMSA-N 2 1 381.521 -0.511 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000419519040 1072175957 /nfs/dbraw/zinc/17/59/57/1072175957.db2.gz FIUJYMATFGKSEI-PMPSAXMXSA-N 2 1 381.521 -0.511 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519070 1072175798 /nfs/dbraw/zinc/17/57/98/1072175798.db2.gz FNJNXDQHCCAMOJ-KKUMJFAQSA-N 2 1 397.520 -0.726 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519071 1072175942 /nfs/dbraw/zinc/17/59/42/1072175942.db2.gz FNJNXDQHCCAMOJ-RRFJBIMHSA-N 2 1 397.520 -0.726 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519072 1072175875 /nfs/dbraw/zinc/17/58/75/1072175875.db2.gz FNJNXDQHCCAMOJ-SOUVJXGZSA-N 2 1 397.520 -0.726 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519073 1072175672 /nfs/dbraw/zinc/17/56/72/1072175672.db2.gz FNJNXDQHCCAMOJ-ZNMIVQPWSA-N 2 1 397.520 -0.726 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419519846 1072175895 /nfs/dbraw/zinc/17/58/95/1072175895.db2.gz GRWWPDHCCXMERO-HNNXBMFYSA-N 2 1 379.505 -0.743 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419519847 1072175979 /nfs/dbraw/zinc/17/59/79/1072175979.db2.gz GRWWPDHCCXMERO-OAHLLOKOSA-N 2 1 379.505 -0.743 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419520285 1072176072 /nfs/dbraw/zinc/17/60/72/1072176072.db2.gz HSQLYSFRGNBNFA-CVEARBPZSA-N 2 1 395.548 -0.060 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419520286 1072175834 /nfs/dbraw/zinc/17/58/34/1072175834.db2.gz HSQLYSFRGNBNFA-HOTGVXAUSA-N 2 1 395.548 -0.060 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419520287 1072176080 /nfs/dbraw/zinc/17/60/80/1072176080.db2.gz HSQLYSFRGNBNFA-HZPDHXFCSA-N 2 1 395.548 -0.060 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419520288 1072175931 /nfs/dbraw/zinc/17/59/31/1072175931.db2.gz HSQLYSFRGNBNFA-JKSUJKDBSA-N 2 1 395.548 -0.060 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419520891 1072175915 /nfs/dbraw/zinc/17/59/15/1072175915.db2.gz IPOCOHKQDFWKNV-DLBZAZTESA-N 2 1 389.500 -0.139 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419520892 1072175905 /nfs/dbraw/zinc/17/59/05/1072175905.db2.gz IPOCOHKQDFWKNV-IAGOWNOFSA-N 2 1 389.500 -0.139 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419520893 1072175921 /nfs/dbraw/zinc/17/59/21/1072175921.db2.gz IPOCOHKQDFWKNV-IRXDYDNUSA-N 2 1 389.500 -0.139 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419520894 1072175970 /nfs/dbraw/zinc/17/59/70/1072175970.db2.gz IPOCOHKQDFWKNV-SJORKVTESA-N 2 1 389.500 -0.139 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419520917 1072175841 /nfs/dbraw/zinc/17/58/41/1072175841.db2.gz IVFJVJXTZFHDPL-JYJNAYRXSA-N 2 1 381.521 -0.321 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419520918 1072175575 /nfs/dbraw/zinc/17/55/75/1072175575.db2.gz IVFJVJXTZFHDPL-OAGGEKHMSA-N 2 1 381.521 -0.321 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419520919 1072176100 /nfs/dbraw/zinc/17/61/00/1072176100.db2.gz IVFJVJXTZFHDPL-PMPSAXMXSA-N 2 1 381.521 -0.321 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419520920 1072175963 /nfs/dbraw/zinc/17/59/63/1072175963.db2.gz IVFJVJXTZFHDPL-XHSDSOJGSA-N 2 1 381.521 -0.321 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419520995 1072175705 /nfs/dbraw/zinc/17/57/05/1072175705.db2.gz JKBBZGXDHNARES-DOTOQJQBSA-N 2 1 393.532 -0.306 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419520998 1072176123 /nfs/dbraw/zinc/17/61/23/1072176123.db2.gz JKBBZGXDHNARES-NVXWUHKLSA-N 2 1 393.532 -0.306 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419521196 1072176825 /nfs/dbraw/zinc/17/68/25/1072176825.db2.gz JKBBZGXDHNARES-RDJZCZTQSA-N 2 1 393.532 -0.306 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419521197 1072177141 /nfs/dbraw/zinc/17/71/41/1072177141.db2.gz JKBBZGXDHNARES-WBVHZDCISA-N 2 1 393.532 -0.306 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419521582 1072177065 /nfs/dbraw/zinc/17/70/65/1072177065.db2.gz KLIOGZDQFCKKPM-CVEARBPZSA-N 2 1 381.521 -0.321 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419521583 1072177278 /nfs/dbraw/zinc/17/72/78/1072177278.db2.gz KLIOGZDQFCKKPM-HOTGVXAUSA-N 2 1 381.521 -0.321 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419521584 1072177030 /nfs/dbraw/zinc/17/70/30/1072177030.db2.gz KLIOGZDQFCKKPM-HZPDHXFCSA-N 2 1 381.521 -0.321 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419521585 1072176997 /nfs/dbraw/zinc/17/69/97/1072176997.db2.gz KLIOGZDQFCKKPM-JKSUJKDBSA-N 2 1 381.521 -0.321 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419521831 1072177085 /nfs/dbraw/zinc/17/70/85/1072177085.db2.gz KVZMEMSADMWIGN-HZMVEIRTSA-N 2 1 393.532 -0.369 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419521832 1072176729 /nfs/dbraw/zinc/17/67/29/1072176729.db2.gz KVZMEMSADMWIGN-NXOAAHMSSA-N 2 1 393.532 -0.369 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419521833 1072177296 /nfs/dbraw/zinc/17/72/96/1072177296.db2.gz KVZMEMSADMWIGN-QAETUUGQSA-N 2 1 393.532 -0.369 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419521834 1072176877 /nfs/dbraw/zinc/17/68/77/1072176877.db2.gz KVZMEMSADMWIGN-YVSFHVDLSA-N 2 1 393.532 -0.369 20 0 GBADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000419522415 1072176667 /nfs/dbraw/zinc/17/66/67/1072176667.db2.gz MGFQZWMMHXWGGW-CVEARBPZSA-N 2 1 381.521 -0.354 20 0 GBADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000419522416 1072177261 /nfs/dbraw/zinc/17/72/61/1072177261.db2.gz MGFQZWMMHXWGGW-HOTGVXAUSA-N 2 1 381.521 -0.354 20 0 GBADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000419522417 1072176584 /nfs/dbraw/zinc/17/65/84/1072176584.db2.gz MGFQZWMMHXWGGW-HZPDHXFCSA-N 2 1 381.521 -0.354 20 0 GBADMP CCCN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000419522418 1072176607 /nfs/dbraw/zinc/17/66/07/1072176607.db2.gz MGFQZWMMHXWGGW-JKSUJKDBSA-N 2 1 381.521 -0.354 20 0 GBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522691 1072177130 /nfs/dbraw/zinc/17/71/30/1072177130.db2.gz NFLORULIRXBLLF-CHWSQXEVSA-N 2 1 381.443 -0.215 20 0 GBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522694 1072176694 /nfs/dbraw/zinc/17/66/94/1072176694.db2.gz NFLORULIRXBLLF-OLZOCXBDSA-N 2 1 381.443 -0.215 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522698 1072177016 /nfs/dbraw/zinc/17/70/16/1072177016.db2.gz NFLORULIRXBLLF-QWHCGFSZSA-N 2 1 381.443 -0.215 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522701 1072177077 /nfs/dbraw/zinc/17/70/77/1072177077.db2.gz NFLORULIRXBLLF-STQMWFEESA-N 2 1 381.443 -0.215 20 0 GBADMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419522776 1072176771 /nfs/dbraw/zinc/17/67/71/1072176771.db2.gz NLHFKEBHBXYRAW-JCYILVPMSA-N 2 1 393.532 -0.354 20 0 GBADMP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000419522780 1072177345 /nfs/dbraw/zinc/17/73/45/1072177345.db2.gz NLHFKEBHBXYRAW-OFLPRAFFSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419524508 1072176971 /nfs/dbraw/zinc/17/69/71/1072176971.db2.gz PWQSAJILWUJDME-ARFHVFGLSA-N 2 1 381.521 -0.226 20 0 GBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419524509 1072177174 /nfs/dbraw/zinc/17/71/74/1072177174.db2.gz PWQSAJILWUJDME-HRCADAONSA-N 2 1 381.521 -0.226 20 0 GBADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419524510 1072176954 /nfs/dbraw/zinc/17/69/54/1072176954.db2.gz PWQSAJILWUJDME-JYJNAYRXSA-N 2 1 381.521 -0.226 20 0 GBADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419524511 1072177055 /nfs/dbraw/zinc/17/70/55/1072177055.db2.gz PWQSAJILWUJDME-XHSDSOJGSA-N 2 1 381.521 -0.226 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419525582 1072176756 /nfs/dbraw/zinc/17/67/56/1072176756.db2.gz RNWRELNUHPRGJR-CYBMUJFWSA-N 2 1 379.427 -0.461 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419525583 1072176897 /nfs/dbraw/zinc/17/68/97/1072176897.db2.gz RNWRELNUHPRGJR-ZDUSSCGKSA-N 2 1 379.427 -0.461 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419526149 1072177225 /nfs/dbraw/zinc/17/72/25/1072177225.db2.gz SPFQODRYDCLJRU-OWCLPIDISA-N 2 1 379.505 -0.602 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419526150 1072176844 /nfs/dbraw/zinc/17/68/44/1072176844.db2.gz SPFQODRYDCLJRU-XHSDSOJGSA-N 2 1 379.505 -0.602 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419526151 1072176918 /nfs/dbraw/zinc/17/69/18/1072176918.db2.gz SPPALSBULBIBIJ-HNNXBMFYSA-N 2 1 381.521 -0.177 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419526152 1072177316 /nfs/dbraw/zinc/17/73/16/1072177316.db2.gz SPPALSBULBIBIJ-OAHLLOKOSA-N 2 1 381.521 -0.177 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419527730 1072177101 /nfs/dbraw/zinc/17/71/01/1072177101.db2.gz BQWNDUMHIZIJST-DLBZAZTESA-N 2 1 375.473 -0.219 20 0 GBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419527730 1072177098 /nfs/dbraw/zinc/17/70/98/1072177098.db2.gz BQWNDUMHIZIJST-DLBZAZTESA-N 2 1 375.473 -0.219 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419527731 1072177116 /nfs/dbraw/zinc/17/71/16/1072177116.db2.gz BQWNDUMHIZIJST-IAGOWNOFSA-N 2 1 375.473 -0.219 20 0 GBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419527731 1072177111 /nfs/dbraw/zinc/17/71/11/1072177111.db2.gz BQWNDUMHIZIJST-IAGOWNOFSA-N 2 1 375.473 -0.219 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419527732 1072176802 /nfs/dbraw/zinc/17/68/02/1072176802.db2.gz BQWNDUMHIZIJST-IRXDYDNUSA-N 2 1 375.473 -0.219 20 0 GBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419527732 1072176799 /nfs/dbraw/zinc/17/67/99/1072176799.db2.gz BQWNDUMHIZIJST-IRXDYDNUSA-N 2 1 375.473 -0.219 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419527734 1072178065 /nfs/dbraw/zinc/17/80/65/1072178065.db2.gz BQWNDUMHIZIJST-SJORKVTESA-N 2 1 375.473 -0.219 20 0 GBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419527734 1072178061 /nfs/dbraw/zinc/17/80/61/1072178061.db2.gz BQWNDUMHIZIJST-SJORKVTESA-N 2 1 375.473 -0.219 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C[NH3+] ZINC000419528492 1072174775 /nfs/dbraw/zinc/17/47/75/1072174775.db2.gz WBRLIXRJRDNGTA-BZUAXINKSA-N 2 1 381.521 -0.369 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C[NH3+] ZINC000419528493 1072175099 /nfs/dbraw/zinc/17/50/99/1072175099.db2.gz WBRLIXRJRDNGTA-OAGGEKHMSA-N 2 1 381.521 -0.369 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C[NH3+] ZINC000419528494 1072174607 /nfs/dbraw/zinc/17/46/07/1072174607.db2.gz WBRLIXRJRDNGTA-OWCLPIDISA-N 2 1 381.521 -0.369 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C[NH3+] ZINC000419528495 1072174707 /nfs/dbraw/zinc/17/47/07/1072174707.db2.gz WBRLIXRJRDNGTA-PMPSAXMXSA-N 2 1 381.521 -0.369 20 0 GBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419529017 1072174659 /nfs/dbraw/zinc/17/46/59/1072174659.db2.gz XHKVQLTZVATPDC-CVEARBPZSA-N 2 1 381.521 -0.354 20 0 GBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419529020 1072174530 /nfs/dbraw/zinc/17/45/30/1072174530.db2.gz XHKVQLTZVATPDC-HOTGVXAUSA-N 2 1 381.521 -0.354 20 0 GBADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419529022 1072174713 /nfs/dbraw/zinc/17/47/13/1072174713.db2.gz XHKVQLTZVATPDC-HZPDHXFCSA-N 2 1 381.521 -0.354 20 0 GBADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419529023 1072174982 /nfs/dbraw/zinc/17/49/82/1072174982.db2.gz XHKVQLTZVATPDC-JKSUJKDBSA-N 2 1 381.521 -0.354 20 0 GBADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000419529721 1072175086 /nfs/dbraw/zinc/17/50/86/1072175086.db2.gz DIZVQQBUYKWWDX-BZSNNMDCSA-N 2 1 392.500 -0.397 20 0 GBADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000419529722 1072175115 /nfs/dbraw/zinc/17/51/15/1072175115.db2.gz DIZVQQBUYKWWDX-SQNIBIBYSA-N 2 1 392.500 -0.397 20 0 GBADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419532029 1072174761 /nfs/dbraw/zinc/17/47/61/1072174761.db2.gz GPTBACSAGYJDMI-MSOLQXFVSA-N 2 1 392.500 -0.002 20 0 GBADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419532030 1072175126 /nfs/dbraw/zinc/17/51/26/1072175126.db2.gz GPTBACSAGYJDMI-QZTJIDSGSA-N 2 1 392.500 -0.002 20 0 GBADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419532031 1072174627 /nfs/dbraw/zinc/17/46/27/1072174627.db2.gz GPTBACSAGYJDMI-ROUUACIJSA-N 2 1 392.500 -0.002 20 0 GBADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419532032 1072174808 /nfs/dbraw/zinc/17/48/08/1072174808.db2.gz GPTBACSAGYJDMI-ZWKOTPCHSA-N 2 1 392.500 -0.002 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C[NH+](C)C ZINC000419544422 1072178689 /nfs/dbraw/zinc/17/86/89/1072178689.db2.gz LHBRMVKSOIXENE-CABCVRRESA-N 2 1 381.521 -0.498 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C[NH+](C)C ZINC000419544434 1072178974 /nfs/dbraw/zinc/17/89/74/1072178974.db2.gz LHBRMVKSOIXENE-GJZGRUSLSA-N 2 1 381.521 -0.498 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)(C)C[NH+](C)C ZINC000419544437 1072178757 /nfs/dbraw/zinc/17/87/57/1072178757.db2.gz LHBRMVKSOIXENE-HUUCEWRRSA-N 2 1 381.521 -0.498 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419551922 1072179490 /nfs/dbraw/zinc/17/94/90/1072179490.db2.gz YDHZUTWZBCAGDN-CVEARBPZSA-N 2 1 397.520 -0.941 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419551923 1072179539 /nfs/dbraw/zinc/17/95/39/1072179539.db2.gz YDHZUTWZBCAGDN-HOTGVXAUSA-N 2 1 397.520 -0.941 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419551924 1072179742 /nfs/dbraw/zinc/17/97/42/1072179742.db2.gz YDHZUTWZBCAGDN-HZPDHXFCSA-N 2 1 397.520 -0.941 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419551925 1072179825 /nfs/dbraw/zinc/17/98/25/1072179825.db2.gz YDHZUTWZBCAGDN-JKSUJKDBSA-N 2 1 397.520 -0.941 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419555155 1072180461 /nfs/dbraw/zinc/18/04/61/1072180461.db2.gz AHUCDOQYJWNLTN-INIZCTEOSA-N 2 1 395.548 -0.012 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419555156 1072180680 /nfs/dbraw/zinc/18/06/80/1072180680.db2.gz AHUCDOQYJWNLTN-MRXNPFEDSA-N 2 1 395.548 -0.012 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419560474 1072181330 /nfs/dbraw/zinc/18/13/30/1072181330.db2.gz IJYJPEPHEXGPLD-UHFFFAOYSA-N 2 1 381.521 -0.129 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419562197 1072181553 /nfs/dbraw/zinc/18/15/53/1072181553.db2.gz KRMYYQLGTGPUQO-GDBMZVCRSA-N 2 1 381.521 -0.321 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419562198 1072181571 /nfs/dbraw/zinc/18/15/71/1072181571.db2.gz KRMYYQLGTGPUQO-GOEBONIOSA-N 2 1 381.521 -0.321 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419562199 1072181349 /nfs/dbraw/zinc/18/13/49/1072181349.db2.gz KRMYYQLGTGPUQO-HOCLYGCPSA-N 2 1 381.521 -0.321 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419562200 1072181257 /nfs/dbraw/zinc/18/12/57/1072181257.db2.gz KRMYYQLGTGPUQO-ZBFHGGJFSA-N 2 1 381.521 -0.321 20 0 GBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000419566002 1072182343 /nfs/dbraw/zinc/18/23/43/1072182343.db2.gz ZIMVGCQOZPPOJB-AGIUHOORSA-N 2 1 379.427 -0.462 20 0 GBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000419566003 1072182290 /nfs/dbraw/zinc/18/22/90/1072182290.db2.gz ZIMVGCQOZPPOJB-FRRDWIJNSA-N 2 1 379.427 -0.462 20 0 GBADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000419566004 1072182302 /nfs/dbraw/zinc/18/23/02/1072182302.db2.gz ZIMVGCQOZPPOJB-JHJVBQTASA-N 2 1 379.427 -0.462 20 0 GBADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@H+]1C ZINC000419566005 1072182072 /nfs/dbraw/zinc/18/20/72/1072182072.db2.gz ZIMVGCQOZPPOJB-UPJWGTAASA-N 2 1 379.427 -0.462 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419582790 1072181290 /nfs/dbraw/zinc/18/12/90/1072181290.db2.gz JPUJAYQAKYGLEW-CVEARBPZSA-N 2 1 379.505 -0.600 20 0 GBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419582790 1072181284 /nfs/dbraw/zinc/18/12/84/1072181284.db2.gz JPUJAYQAKYGLEW-CVEARBPZSA-N 2 1 379.505 -0.600 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419582794 1072181618 /nfs/dbraw/zinc/18/16/18/1072181618.db2.gz JPUJAYQAKYGLEW-HOTGVXAUSA-N 2 1 379.505 -0.600 20 0 GBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419582794 1072181616 /nfs/dbraw/zinc/18/16/16/1072181616.db2.gz JPUJAYQAKYGLEW-HOTGVXAUSA-N 2 1 379.505 -0.600 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419582797 1072181534 /nfs/dbraw/zinc/18/15/34/1072181534.db2.gz JPUJAYQAKYGLEW-HZPDHXFCSA-N 2 1 379.505 -0.600 20 0 GBADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419582797 1072181531 /nfs/dbraw/zinc/18/15/31/1072181531.db2.gz JPUJAYQAKYGLEW-HZPDHXFCSA-N 2 1 379.505 -0.600 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419582801 1072181502 /nfs/dbraw/zinc/18/15/02/1072181502.db2.gz JPUJAYQAKYGLEW-JKSUJKDBSA-N 2 1 379.505 -0.600 20 0 GBADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419582801 1072181499 /nfs/dbraw/zinc/18/14/99/1072181499.db2.gz JPUJAYQAKYGLEW-JKSUJKDBSA-N 2 1 379.505 -0.600 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000419587113 1072183870 /nfs/dbraw/zinc/18/38/70/1072183870.db2.gz NGWREDDNCSGEKE-AAEUAGOBSA-N 2 1 379.427 -0.462 20 0 GBADMP C[C@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000419587115 1072184013 /nfs/dbraw/zinc/18/40/13/1072184013.db2.gz NGWREDDNCSGEKE-DGCLKSJQSA-N 2 1 379.427 -0.462 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000419587116 1072183567 /nfs/dbraw/zinc/18/35/67/1072183567.db2.gz NGWREDDNCSGEKE-WCQYABFASA-N 2 1 379.427 -0.462 20 0 GBADMP C[C@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000419587117 1072184179 /nfs/dbraw/zinc/18/41/79/1072184179.db2.gz NGWREDDNCSGEKE-YPMHNXCESA-N 2 1 379.427 -0.462 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000419590869 1072183824 /nfs/dbraw/zinc/18/38/24/1072183824.db2.gz QRZVHLLAYBYWST-CABCVRRESA-N 2 1 379.505 -0.744 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000419590871 1072184082 /nfs/dbraw/zinc/18/40/82/1072184082.db2.gz QRZVHLLAYBYWST-GJZGRUSLSA-N 2 1 379.505 -0.744 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000419590872 1072183632 /nfs/dbraw/zinc/18/36/32/1072183632.db2.gz QRZVHLLAYBYWST-HUUCEWRRSA-N 2 1 379.505 -0.744 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000419590874 1072184048 /nfs/dbraw/zinc/18/40/48/1072184048.db2.gz QRZVHLLAYBYWST-LSDHHAIUSA-N 2 1 379.505 -0.744 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596144 1072184987 /nfs/dbraw/zinc/18/49/87/1072184987.db2.gz XTZYPOSMGAJXBG-DLBZAZTESA-N 2 1 393.532 -0.353 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596145 1072184663 /nfs/dbraw/zinc/18/46/63/1072184663.db2.gz XTZYPOSMGAJXBG-IAGOWNOFSA-N 2 1 393.532 -0.353 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596146 1072184725 /nfs/dbraw/zinc/18/47/25/1072184725.db2.gz XTZYPOSMGAJXBG-IRXDYDNUSA-N 2 1 393.532 -0.353 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596147 1072184909 /nfs/dbraw/zinc/18/49/09/1072184909.db2.gz XTZYPOSMGAJXBG-SJORKVTESA-N 2 1 393.532 -0.353 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596423 1072184958 /nfs/dbraw/zinc/18/49/58/1072184958.db2.gz YJMCUMFGXXBVJE-KBPBESRZSA-N 2 1 393.454 -0.071 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596424 1072184586 /nfs/dbraw/zinc/18/45/86/1072184586.db2.gz YJMCUMFGXXBVJE-KGLIPLIRSA-N 2 1 393.454 -0.071 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596425 1072184684 /nfs/dbraw/zinc/18/46/84/1072184684.db2.gz YJMCUMFGXXBVJE-UONOGXRCSA-N 2 1 393.454 -0.071 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596426 1072184634 /nfs/dbraw/zinc/18/46/34/1072184634.db2.gz YJMCUMFGXXBVJE-ZIAGYGMSSA-N 2 1 393.454 -0.071 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419596690 1072184169 /nfs/dbraw/zinc/18/41/69/1072184169.db2.gz YPVCEIFIVJLNKP-CVEARBPZSA-N 2 1 381.521 -0.177 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419596691 1072184136 /nfs/dbraw/zinc/18/41/36/1072184136.db2.gz YPVCEIFIVJLNKP-HOTGVXAUSA-N 2 1 381.521 -0.177 20 0 GBADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419596693 1072184623 /nfs/dbraw/zinc/18/46/23/1072184623.db2.gz YPVCEIFIVJLNKP-HZPDHXFCSA-N 2 1 381.521 -0.177 20 0 GBADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419596694 1072184694 /nfs/dbraw/zinc/18/46/94/1072184694.db2.gz YPVCEIFIVJLNKP-JKSUJKDBSA-N 2 1 381.521 -0.177 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]CC3)c2)C1 ZINC000419657181 1072186450 /nfs/dbraw/zinc/18/64/50/1072186450.db2.gz JDVHJPWRCIUNBD-KRWDZBQOSA-N 2 1 387.484 -0.568 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]CC3)c2)C1 ZINC000419657182 1072186479 /nfs/dbraw/zinc/18/64/79/1072186479.db2.gz JDVHJPWRCIUNBD-QGZVFWFLSA-N 2 1 387.484 -0.568 20 0 GBADMP CC(C)(CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000419670939 1072189136 /nfs/dbraw/zinc/18/91/36/1072189136.db2.gz XOAKRAUZUIAHBF-INIZCTEOSA-N 2 1 393.532 -0.353 20 0 GBADMP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000419670940 1072189573 /nfs/dbraw/zinc/18/95/73/1072189573.db2.gz XOAKRAUZUIAHBF-MRXNPFEDSA-N 2 1 393.532 -0.353 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000419690480 1072192060 /nfs/dbraw/zinc/19/20/60/1072192060.db2.gz CJNKBDNHBAJTLL-INIZCTEOSA-N 2 1 393.532 -0.353 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000419690481 1072192168 /nfs/dbraw/zinc/19/21/68/1072192168.db2.gz CJNKBDNHBAJTLL-MRXNPFEDSA-N 2 1 393.532 -0.353 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000419692806 1072192113 /nfs/dbraw/zinc/19/21/13/1072192113.db2.gz HOVQQLNPWITESS-AWEZNQCLSA-N 2 1 393.454 -0.071 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000419692807 1072191983 /nfs/dbraw/zinc/19/19/83/1072191983.db2.gz HOVQQLNPWITESS-CQSZACIVSA-N 2 1 393.454 -0.071 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419696218 1072192294 /nfs/dbraw/zinc/19/22/94/1072192294.db2.gz NWNPSDWOHFFSPI-DOTOQJQBSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419696219 1072191993 /nfs/dbraw/zinc/19/19/93/1072191993.db2.gz NWNPSDWOHFFSPI-NVXWUHKLSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419696220 1072192300 /nfs/dbraw/zinc/19/23/00/1072192300.db2.gz NWNPSDWOHFFSPI-RDJZCZTQSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419696221 1072193311 /nfs/dbraw/zinc/19/33/11/1072193311.db2.gz NWNPSDWOHFFSPI-WBVHZDCISA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419698423 1072192977 /nfs/dbraw/zinc/19/29/77/1072192977.db2.gz SKIJZRXBGONCAE-CABCVRRESA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419698424 1072193153 /nfs/dbraw/zinc/19/31/53/1072193153.db2.gz SKIJZRXBGONCAE-GJZGRUSLSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419698425 1072193247 /nfs/dbraw/zinc/19/32/47/1072193247.db2.gz SKIJZRXBGONCAE-HUUCEWRRSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000419698426 1072193221 /nfs/dbraw/zinc/19/32/21/1072193221.db2.gz SKIJZRXBGONCAE-LSDHHAIUSA-N 2 1 379.505 -0.567 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000419699278 1072192933 /nfs/dbraw/zinc/19/29/33/1072192933.db2.gz WAJGEPZFAXJLRM-INIZCTEOSA-N 2 1 381.521 -0.177 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000419699279 1072193079 /nfs/dbraw/zinc/19/30/79/1072193079.db2.gz WAJGEPZFAXJLRM-MRXNPFEDSA-N 2 1 381.521 -0.177 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000419700530 1072193211 /nfs/dbraw/zinc/19/32/11/1072193211.db2.gz XOQIFJONOMCXQU-INIZCTEOSA-N 2 1 379.505 -0.600 20 0 GBADMP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000419700530 1072193209 /nfs/dbraw/zinc/19/32/09/1072193209.db2.gz XOQIFJONOMCXQU-INIZCTEOSA-N 2 1 379.505 -0.600 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000419700531 1072193176 /nfs/dbraw/zinc/19/31/76/1072193176.db2.gz XOQIFJONOMCXQU-MRXNPFEDSA-N 2 1 379.505 -0.600 20 0 GBADMP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCCC1 ZINC000419700531 1072193173 /nfs/dbraw/zinc/19/31/73/1072193173.db2.gz XOQIFJONOMCXQU-MRXNPFEDSA-N 2 1 379.505 -0.600 20 0 GBADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419700571 1072193131 /nfs/dbraw/zinc/19/31/31/1072193131.db2.gz XRDSARUWMDTZSG-DOTOQJQBSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419700571 1072193127 /nfs/dbraw/zinc/19/31/27/1072193127.db2.gz XRDSARUWMDTZSG-DOTOQJQBSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419700573 1072193234 /nfs/dbraw/zinc/19/32/34/1072193234.db2.gz XRDSARUWMDTZSG-NVXWUHKLSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419700573 1072193231 /nfs/dbraw/zinc/19/32/31/1072193231.db2.gz XRDSARUWMDTZSG-NVXWUHKLSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419700576 1072193104 /nfs/dbraw/zinc/19/31/04/1072193104.db2.gz XRDSARUWMDTZSG-RDJZCZTQSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419700576 1072193101 /nfs/dbraw/zinc/19/31/01/1072193101.db2.gz XRDSARUWMDTZSG-RDJZCZTQSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419700578 1072193048 /nfs/dbraw/zinc/19/30/48/1072193048.db2.gz XRDSARUWMDTZSG-WBVHZDCISA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419700578 1072193041 /nfs/dbraw/zinc/19/30/41/1072193041.db2.gz XRDSARUWMDTZSG-WBVHZDCISA-N 2 1 391.516 -0.458 20 0 GBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419702535 1072190530 /nfs/dbraw/zinc/19/05/30/1072190530.db2.gz VCXMZEVFUGGDAW-DLBZAZTESA-N 2 1 395.548 -0.073 20 0 GBADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419702536 1072190186 /nfs/dbraw/zinc/19/01/86/1072190186.db2.gz VCXMZEVFUGGDAW-IAGOWNOFSA-N 2 1 395.548 -0.073 20 0 GBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419702537 1072190352 /nfs/dbraw/zinc/19/03/52/1072190352.db2.gz VCXMZEVFUGGDAW-IRXDYDNUSA-N 2 1 395.548 -0.073 20 0 GBADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419702538 1072190670 /nfs/dbraw/zinc/19/06/70/1072190670.db2.gz VCXMZEVFUGGDAW-SJORKVTESA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000419711286 1072195066 /nfs/dbraw/zinc/19/50/66/1072195066.db2.gz JRAYUPOYPSVXRP-DLBZAZTESA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000419711289 1072194714 /nfs/dbraw/zinc/19/47/14/1072194714.db2.gz JRAYUPOYPSVXRP-IAGOWNOFSA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@@H](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000419711290 1072194890 /nfs/dbraw/zinc/19/48/90/1072194890.db2.gz JRAYUPOYPSVXRP-IRXDYDNUSA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@H](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[NH+]1CCCCC1 ZINC000419711292 1072194980 /nfs/dbraw/zinc/19/49/80/1072194980.db2.gz JRAYUPOYPSVXRP-SJORKVTESA-N 2 1 393.532 -0.210 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC000419723904 1072195368 /nfs/dbraw/zinc/19/53/68/1072195368.db2.gz OZTZMCBNUMEASS-DLBZAZTESA-N 2 1 378.448 -0.083 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1F ZINC000419724944 1072195798 /nfs/dbraw/zinc/19/57/98/1072195798.db2.gz QVCCTNPCNUASGB-DOTOQJQBSA-N 2 1 378.448 -0.083 20 0 GBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419731293 1072194170 /nfs/dbraw/zinc/19/41/70/1072194170.db2.gz QYGYIUIJBPZTQG-JLJPHGGASA-N 2 1 378.448 -0.084 20 0 GBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419731295 1072193997 /nfs/dbraw/zinc/19/39/97/1072193997.db2.gz QYGYIUIJBPZTQG-UKPHBRMFSA-N 2 1 378.448 -0.084 20 0 GBADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419737891 1072198718 /nfs/dbraw/zinc/19/87/18/1072198718.db2.gz UDZRSVGNXZMQDX-DLBZAZTESA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419737891 1072198717 /nfs/dbraw/zinc/19/87/17/1072198717.db2.gz UDZRSVGNXZMQDX-DLBZAZTESA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419737892 1072198443 /nfs/dbraw/zinc/19/84/43/1072198443.db2.gz UDZRSVGNXZMQDX-IAGOWNOFSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419737892 1072198437 /nfs/dbraw/zinc/19/84/37/1072198437.db2.gz UDZRSVGNXZMQDX-IAGOWNOFSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419737893 1072198636 /nfs/dbraw/zinc/19/86/36/1072198636.db2.gz UDZRSVGNXZMQDX-IRXDYDNUSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419737893 1072198633 /nfs/dbraw/zinc/19/86/33/1072198633.db2.gz UDZRSVGNXZMQDX-IRXDYDNUSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419737894 1072198374 /nfs/dbraw/zinc/19/83/74/1072198374.db2.gz UDZRSVGNXZMQDX-SJORKVTESA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419737894 1072198368 /nfs/dbraw/zinc/19/83/68/1072198368.db2.gz UDZRSVGNXZMQDX-SJORKVTESA-N 2 1 391.516 -0.458 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419738012 1072198601 /nfs/dbraw/zinc/19/86/01/1072198601.db2.gz UNERAEMDRSBZAU-GDBMZVCRSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419738013 1072198541 /nfs/dbraw/zinc/19/85/41/1072198541.db2.gz UNERAEMDRSBZAU-GOEBONIOSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419738015 1072198213 /nfs/dbraw/zinc/19/82/13/1072198213.db2.gz UNERAEMDRSBZAU-HOCLYGCPSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000419738018 1072198646 /nfs/dbraw/zinc/19/86/46/1072198646.db2.gz UNERAEMDRSBZAU-ZBFHGGJFSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419740317 1072196429 /nfs/dbraw/zinc/19/64/29/1072196429.db2.gz XHRBGDKNPYXCTM-DLBZAZTESA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419740318 1072196895 /nfs/dbraw/zinc/19/68/95/1072196895.db2.gz XHRBGDKNPYXCTM-IAGOWNOFSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000419740320 1072196394 /nfs/dbraw/zinc/19/63/94/1072196394.db2.gz XHRBGDKNPYXCTM-IRXDYDNUSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000419740321 1072196672 /nfs/dbraw/zinc/19/66/72/1072196672.db2.gz XHRBGDKNPYXCTM-SJORKVTESA-N 2 1 393.532 -0.034 20 0 GBADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000419754867 1072197605 /nfs/dbraw/zinc/19/76/05/1072197605.db2.gz BFYWRAQPUCUMHK-INIZCTEOSA-N 2 1 378.473 -0.138 20 0 GBADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000419754869 1072197714 /nfs/dbraw/zinc/19/77/14/1072197714.db2.gz BFYWRAQPUCUMHK-MRXNPFEDSA-N 2 1 378.473 -0.138 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419769765 1072200034 /nfs/dbraw/zinc/20/00/34/1072200034.db2.gz VYXOFICHRYCXBB-DLBZAZTESA-N 2 1 395.548 -0.059 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419769768 1072199955 /nfs/dbraw/zinc/19/99/55/1072199955.db2.gz VYXOFICHRYCXBB-IAGOWNOFSA-N 2 1 395.548 -0.059 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419769770 1072200506 /nfs/dbraw/zinc/20/05/06/1072200506.db2.gz VYXOFICHRYCXBB-IRXDYDNUSA-N 2 1 395.548 -0.059 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419769773 1072199963 /nfs/dbraw/zinc/19/99/63/1072199963.db2.gz VYXOFICHRYCXBB-SJORKVTESA-N 2 1 395.548 -0.059 20 0 GBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419769904 1072200184 /nfs/dbraw/zinc/20/01/84/1072200184.db2.gz DVBWBDNLIIWLGK-CABCVRRESA-N 2 1 381.521 -0.464 20 0 GBADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419769906 1072200240 /nfs/dbraw/zinc/20/02/40/1072200240.db2.gz DVBWBDNLIIWLGK-GJZGRUSLSA-N 2 1 381.521 -0.464 20 0 GBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419769907 1072199906 /nfs/dbraw/zinc/19/99/06/1072199906.db2.gz DVBWBDNLIIWLGK-HUUCEWRRSA-N 2 1 381.521 -0.464 20 0 GBADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419769909 1072200419 /nfs/dbraw/zinc/20/04/19/1072200419.db2.gz DVBWBDNLIIWLGK-LSDHHAIUSA-N 2 1 381.521 -0.464 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419773457 1072200924 /nfs/dbraw/zinc/20/09/24/1072200924.db2.gz ZNLHDAQNXVFTKD-INIZCTEOSA-N 2 1 381.521 -0.495 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419773460 1072201188 /nfs/dbraw/zinc/20/11/88/1072201188.db2.gz ZNLHDAQNXVFTKD-MRXNPFEDSA-N 2 1 381.521 -0.495 20 0 GBADMP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419793182 1072202048 /nfs/dbraw/zinc/20/20/48/1072202048.db2.gz BFEYFVQBDDZUQN-INIZCTEOSA-N 2 1 381.521 -0.356 20 0 GBADMP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419793183 1072201941 /nfs/dbraw/zinc/20/19/41/1072201941.db2.gz BFEYFVQBDDZUQN-MRXNPFEDSA-N 2 1 381.521 -0.356 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCCC1 ZINC000419820546 1072204118 /nfs/dbraw/zinc/20/41/18/1072204118.db2.gz NZDDSHITWXLGQH-INIZCTEOSA-N 2 1 393.532 -0.210 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCCC1 ZINC000419820548 1072204076 /nfs/dbraw/zinc/20/40/76/1072204076.db2.gz NZDDSHITWXLGQH-MRXNPFEDSA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419823599 1072204960 /nfs/dbraw/zinc/20/49/60/1072204960.db2.gz OWLVVYJAFSCSND-HOTGVXAUSA-N 2 1 392.500 -0.308 20 0 GBADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@@H](C)O1 ZINC000419823600 1072204611 /nfs/dbraw/zinc/20/46/11/1072204611.db2.gz OWLVVYJAFSCSND-HZPDHXFCSA-N 2 1 392.500 -0.308 20 0 GBADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419823601 1072204949 /nfs/dbraw/zinc/20/49/49/1072204949.db2.gz OWLVVYJAFSCSND-IYBDPMFKSA-N 2 1 392.500 -0.308 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419823601 1072204944 /nfs/dbraw/zinc/20/49/44/1072204944.db2.gz OWLVVYJAFSCSND-IYBDPMFKSA-N 2 1 392.500 -0.308 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419824306 1072205010 /nfs/dbraw/zinc/20/50/10/1072205010.db2.gz MPGQPBKIQDLEBX-BZUAXINKSA-N 2 1 383.537 -0.395 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419824310 1072205024 /nfs/dbraw/zinc/20/50/24/1072205024.db2.gz MPGQPBKIQDLEBX-OAGGEKHMSA-N 2 1 383.537 -0.395 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419824313 1072204758 /nfs/dbraw/zinc/20/47/58/1072204758.db2.gz MPGQPBKIQDLEBX-OWCLPIDISA-N 2 1 383.537 -0.395 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419824316 1072204987 /nfs/dbraw/zinc/20/49/87/1072204987.db2.gz MPGQPBKIQDLEBX-PMPSAXMXSA-N 2 1 383.537 -0.395 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000419825494 1072205042 /nfs/dbraw/zinc/20/50/42/1072205042.db2.gz NJNVVYGHHVXPQD-CVEARBPZSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000419825496 1072205660 /nfs/dbraw/zinc/20/56/60/1072205660.db2.gz NJNVVYGHHVXPQD-HOTGVXAUSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000419825497 1072205633 /nfs/dbraw/zinc/20/56/33/1072205633.db2.gz NJNVVYGHHVXPQD-HZPDHXFCSA-N 2 1 379.505 -0.743 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCCC1 ZINC000419825499 1072205539 /nfs/dbraw/zinc/20/55/39/1072205539.db2.gz NJNVVYGHHVXPQD-JKSUJKDBSA-N 2 1 379.505 -0.743 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419828981 1072208672 /nfs/dbraw/zinc/20/86/72/1072208672.db2.gz UUVZRALCHKGDHQ-INIZCTEOSA-N 2 1 377.489 -0.056 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419828983 1072208935 /nfs/dbraw/zinc/20/89/35/1072208935.db2.gz UUVZRALCHKGDHQ-MRXNPFEDSA-N 2 1 377.489 -0.056 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419830572 1072208909 /nfs/dbraw/zinc/20/89/09/1072208909.db2.gz QNQLZKQROZQUBN-IHRRRGAJSA-N 2 1 391.438 -0.318 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419830574 1072208778 /nfs/dbraw/zinc/20/87/78/1072208778.db2.gz QNQLZKQROZQUBN-MCIONIFRSA-N 2 1 391.438 -0.318 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419830576 1072208554 /nfs/dbraw/zinc/20/85/54/1072208554.db2.gz QNQLZKQROZQUBN-MJBXVCDLSA-N 2 1 391.438 -0.318 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419830578 1072208980 /nfs/dbraw/zinc/20/89/80/1072208980.db2.gz QNQLZKQROZQUBN-RDBSUJKOSA-N 2 1 391.438 -0.318 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419834961 1072209605 /nfs/dbraw/zinc/20/96/05/1072209605.db2.gz UPJSUJYLSLXIRR-ARFHVFGLSA-N 2 1 379.505 -0.425 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419834962 1072209532 /nfs/dbraw/zinc/20/95/32/1072209532.db2.gz UPJSUJYLSLXIRR-HRCADAONSA-N 2 1 379.505 -0.425 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419834963 1072209318 /nfs/dbraw/zinc/20/93/18/1072209318.db2.gz UPJSUJYLSLXIRR-JYJNAYRXSA-N 2 1 379.505 -0.425 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419834964 1072209498 /nfs/dbraw/zinc/20/94/98/1072209498.db2.gz UPJSUJYLSLXIRR-XHSDSOJGSA-N 2 1 379.505 -0.425 20 0 GBADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419837994 1072210387 /nfs/dbraw/zinc/21/03/87/1072210387.db2.gz DRNKBERVHBBGQE-BBWFWOEESA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419837994 1072210379 /nfs/dbraw/zinc/21/03/79/1072210379.db2.gz DRNKBERVHBBGQE-BBWFWOEESA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419837995 1072210299 /nfs/dbraw/zinc/21/02/99/1072210299.db2.gz DRNKBERVHBBGQE-BRWVUGGUSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419837996 1072210416 /nfs/dbraw/zinc/21/04/16/1072210416.db2.gz DRNKBERVHBBGQE-IXDOHACOSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419837996 1072210408 /nfs/dbraw/zinc/21/04/08/1072210408.db2.gz DRNKBERVHBBGQE-IXDOHACOSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419837997 1072210340 /nfs/dbraw/zinc/21/03/40/1072210340.db2.gz DRNKBERVHBBGQE-ZACQAIPSSA-N 2 1 396.532 -0.029 20 0 GBADMP C[NH2+]CCCNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419839405 1072211026 /nfs/dbraw/zinc/21/10/26/1072211026.db2.gz AYRNHEVOQYPKKG-UHFFFAOYSA-N 2 1 375.517 -0.012 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000419840793 1072212086 /nfs/dbraw/zinc/21/20/86/1072212086.db2.gz ZMPMYIDAGXGSSX-KRWDZBQOSA-N 2 1 375.517 -0.026 20 0 GBADMP C[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000419840794 1072211975 /nfs/dbraw/zinc/21/19/75/1072211975.db2.gz ZMPMYIDAGXGSSX-QGZVFWFLSA-N 2 1 375.517 -0.026 20 0 GBADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419843293 1072211816 /nfs/dbraw/zinc/21/18/16/1072211816.db2.gz MLQOMSYAWUPVMH-CYBMUJFWSA-N 2 1 380.411 -0.032 20 0 GBADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419843296 1072211681 /nfs/dbraw/zinc/21/16/81/1072211681.db2.gz MLQOMSYAWUPVMH-ZDUSSCGKSA-N 2 1 380.411 -0.032 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419843570 1072212561 /nfs/dbraw/zinc/21/25/61/1072212561.db2.gz AXYGGXNHGHLPGJ-INIZCTEOSA-N 2 1 391.516 -0.019 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419843570 1072212556 /nfs/dbraw/zinc/21/25/56/1072212556.db2.gz AXYGGXNHGHLPGJ-INIZCTEOSA-N 2 1 391.516 -0.019 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419843580 1072212665 /nfs/dbraw/zinc/21/26/65/1072212665.db2.gz AXYGGXNHGHLPGJ-MRXNPFEDSA-N 2 1 391.516 -0.019 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000419843580 1072212658 /nfs/dbraw/zinc/21/26/58/1072212658.db2.gz AXYGGXNHGHLPGJ-MRXNPFEDSA-N 2 1 391.516 -0.019 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@H+]1CC(C)(C)O ZINC000419850831 1072207952 /nfs/dbraw/zinc/20/79/52/1072207952.db2.gz MUELUIRUGYTHCN-INIZCTEOSA-N 2 1 391.516 -0.019 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000419850831 1072207948 /nfs/dbraw/zinc/20/79/48/1072207948.db2.gz MUELUIRUGYTHCN-INIZCTEOSA-N 2 1 391.516 -0.019 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@H+]1CC(C)(C)O ZINC000419850834 1072207940 /nfs/dbraw/zinc/20/79/40/1072207940.db2.gz MUELUIRUGYTHCN-MRXNPFEDSA-N 2 1 391.516 -0.019 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1CC(C)(C)O ZINC000419850834 1072207933 /nfs/dbraw/zinc/20/79/33/1072207933.db2.gz MUELUIRUGYTHCN-MRXNPFEDSA-N 2 1 391.516 -0.019 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419854884 1072214492 /nfs/dbraw/zinc/21/44/92/1072214492.db2.gz PSWUXVWURZKDLF-BGYRXZFFSA-N 2 1 399.539 -0.012 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000419855184 1072214133 /nfs/dbraw/zinc/21/41/33/1072214133.db2.gz WEYMXLMQIJPNTM-UHFFFAOYSA-N 2 1 377.489 -0.407 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419855467 1072214442 /nfs/dbraw/zinc/21/44/42/1072214442.db2.gz QTMILVLTRYKIPC-GOSISDBHSA-N 2 1 394.564 -0.974 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419855474 1072214365 /nfs/dbraw/zinc/21/43/65/1072214365.db2.gz QTMILVLTRYKIPC-SFHVURJKSA-N 2 1 394.564 -0.974 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419858447 1072215394 /nfs/dbraw/zinc/21/53/94/1072215394.db2.gz WOHCOIDRLFXYFJ-UHFFFAOYSA-N 2 1 387.528 -0.038 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419859618 1072215159 /nfs/dbraw/zinc/21/51/59/1072215159.db2.gz ZDRAQPJJOWVAST-KRWDZBQOSA-N 2 1 387.528 -0.039 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419859618 1072215148 /nfs/dbraw/zinc/21/51/48/1072215148.db2.gz ZDRAQPJJOWVAST-KRWDZBQOSA-N 2 1 387.528 -0.039 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000419859620 1072215030 /nfs/dbraw/zinc/21/50/30/1072215030.db2.gz ZDRAQPJJOWVAST-QGZVFWFLSA-N 2 1 387.528 -0.039 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419859620 1072215025 /nfs/dbraw/zinc/21/50/25/1072215025.db2.gz ZDRAQPJJOWVAST-QGZVFWFLSA-N 2 1 387.528 -0.039 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419860351 1072215950 /nfs/dbraw/zinc/21/59/50/1072215950.db2.gz BZWDHQBFHGWUJH-UHFFFAOYSA-N 2 1 379.530 -0.544 20 0 GBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419860687 1072215443 /nfs/dbraw/zinc/21/54/43/1072215443.db2.gz CIXOHDAKBNPQSW-FGTMMUONSA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419860687 1072215437 /nfs/dbraw/zinc/21/54/37/1072215437.db2.gz CIXOHDAKBNPQSW-FGTMMUONSA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419860689 1072215380 /nfs/dbraw/zinc/21/53/80/1072215380.db2.gz CIXOHDAKBNPQSW-KSZLIROESA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419860689 1072215378 /nfs/dbraw/zinc/21/53/78/1072215378.db2.gz CIXOHDAKBNPQSW-KSZLIROESA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419860691 1072216072 /nfs/dbraw/zinc/21/60/72/1072216072.db2.gz CIXOHDAKBNPQSW-KURKYZTESA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419860693 1072216123 /nfs/dbraw/zinc/21/61/23/1072216123.db2.gz CIXOHDAKBNPQSW-KZNAEPCWSA-N 2 1 395.548 -0.502 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000419862500 1072215989 /nfs/dbraw/zinc/21/59/89/1072215989.db2.gz GPQFYNDFXUTSJX-UHFFFAOYSA-N 2 1 395.548 -0.451 20 0 GBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419865272 1072216762 /nfs/dbraw/zinc/21/67/62/1072216762.db2.gz JVPFJVPLBHGSOS-BBWFWOEESA-N 2 1 381.521 -0.892 20 0 GBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419865272 1072216756 /nfs/dbraw/zinc/21/67/56/1072216756.db2.gz JVPFJVPLBHGSOS-BBWFWOEESA-N 2 1 381.521 -0.892 20 0 GBADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419865994 1072216583 /nfs/dbraw/zinc/21/65/83/1072216583.db2.gz JVPFJVPLBHGSOS-BRWVUGGUSA-N 2 1 381.521 -0.892 20 0 GBADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419865995 1072216836 /nfs/dbraw/zinc/21/68/36/1072216836.db2.gz JVPFJVPLBHGSOS-IXDOHACOSA-N 2 1 381.521 -0.892 20 0 GBADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419865995 1072216833 /nfs/dbraw/zinc/21/68/33/1072216833.db2.gz JVPFJVPLBHGSOS-IXDOHACOSA-N 2 1 381.521 -0.892 20 0 GBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419865996 1072216731 /nfs/dbraw/zinc/21/67/31/1072216731.db2.gz JVPFJVPLBHGSOS-ZACQAIPSSA-N 2 1 381.521 -0.892 20 0 GBADMP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC1 ZINC000419866906 1072217601 /nfs/dbraw/zinc/21/76/01/1072217601.db2.gz QDDDKKUDVBLHRW-CYBMUJFWSA-N 2 1 380.411 -0.047 20 0 GBADMP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC1 ZINC000419866913 1072217656 /nfs/dbraw/zinc/21/76/56/1072217656.db2.gz QDDDKKUDVBLHRW-ZDUSSCGKSA-N 2 1 380.411 -0.047 20 0 GBADMP C[NH+]1CCC(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)(N2CCCCC2)CC1 ZINC000419868298 1072217614 /nfs/dbraw/zinc/21/76/14/1072217614.db2.gz CHSWLVPOFVKEJI-UHFFFAOYSA-N 2 1 394.564 -0.926 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000419870588 1072218218 /nfs/dbraw/zinc/21/82/18/1072218218.db2.gz OVOPVILLSOWMJT-INIZCTEOSA-N 2 1 377.489 -0.056 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000419870591 1072218257 /nfs/dbraw/zinc/21/82/57/1072218257.db2.gz OVOPVILLSOWMJT-MRXNPFEDSA-N 2 1 377.489 -0.056 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000419872665 1072219238 /nfs/dbraw/zinc/21/92/38/1072219238.db2.gz RCVGAFQQGQSOGD-KRWDZBQOSA-N 2 1 391.516 -0.174 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000419872666 1072219126 /nfs/dbraw/zinc/21/91/26/1072219126.db2.gz RCVGAFQQGQSOGD-QGZVFWFLSA-N 2 1 391.516 -0.174 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000419873300 1072219336 /nfs/dbraw/zinc/21/93/36/1072219336.db2.gz RMHABTYDLOCITK-KRWDZBQOSA-N 2 1 383.537 -0.643 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000419873300 1072219334 /nfs/dbraw/zinc/21/93/34/1072219334.db2.gz RMHABTYDLOCITK-KRWDZBQOSA-N 2 1 383.537 -0.643 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000419873302 1072219229 /nfs/dbraw/zinc/21/92/29/1072219229.db2.gz RMHABTYDLOCITK-QGZVFWFLSA-N 2 1 383.537 -0.643 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000419873302 1072219224 /nfs/dbraw/zinc/21/92/24/1072219224.db2.gz RMHABTYDLOCITK-QGZVFWFLSA-N 2 1 383.537 -0.643 20 0 GBADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873714 1072220110 /nfs/dbraw/zinc/22/01/10/1072220110.db2.gz GCRHSTPNXPGSLG-IBGZPJMESA-N 2 1 387.528 -0.012 20 0 GBADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873717 1072220001 /nfs/dbraw/zinc/22/00/01/1072220001.db2.gz GCRHSTPNXPGSLG-LJQANCHMSA-N 2 1 387.528 -0.012 20 0 GBADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419876329 1072220051 /nfs/dbraw/zinc/22/00/51/1072220051.db2.gz HYLZJPHBPKBDSH-UHFFFAOYSA-N 2 1 375.473 -0.219 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419876491 1072220876 /nfs/dbraw/zinc/22/08/76/1072220876.db2.gz VURXSDHRNQACAS-UHFFFAOYSA-N 2 1 379.480 -0.215 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419880019 1072221627 /nfs/dbraw/zinc/22/16/27/1072221627.db2.gz ZQXZQPOJBUZKLF-AEFFLSMTSA-N 2 1 377.533 -0.127 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419880023 1072221542 /nfs/dbraw/zinc/22/15/42/1072221542.db2.gz ZQXZQPOJBUZKLF-FUHWJXTLSA-N 2 1 377.533 -0.127 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419880027 1072221584 /nfs/dbraw/zinc/22/15/84/1072221584.db2.gz ZQXZQPOJBUZKLF-SJLPKXTDSA-N 2 1 377.533 -0.127 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419880030 1072221707 /nfs/dbraw/zinc/22/17/07/1072221707.db2.gz ZQXZQPOJBUZKLF-WMZOPIPTSA-N 2 1 377.533 -0.127 20 0 GBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419880682 1072221485 /nfs/dbraw/zinc/22/14/85/1072221485.db2.gz AEUVSDIFAFOUBP-HOTGVXAUSA-N 2 1 384.521 -0.171 20 0 GBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419880683 1072221433 /nfs/dbraw/zinc/22/14/33/1072221433.db2.gz AEUVSDIFAFOUBP-HZPDHXFCSA-N 2 1 384.521 -0.171 20 0 GBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419880685 1072221608 /nfs/dbraw/zinc/22/16/08/1072221608.db2.gz AEUVSDIFAFOUBP-IYBDPMFKSA-N 2 1 384.521 -0.171 20 0 GBADMP CC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419880685 1072221604 /nfs/dbraw/zinc/22/16/04/1072221604.db2.gz AEUVSDIFAFOUBP-IYBDPMFKSA-N 2 1 384.521 -0.171 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419883489 1072222075 /nfs/dbraw/zinc/22/20/75/1072222075.db2.gz NEHDQNKMHBEPJD-KDURUIRLSA-N 2 1 385.512 -0.402 20 0 GBADMP CC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419895260 1072224327 /nfs/dbraw/zinc/22/43/27/1072224327.db2.gz RUXTUZAKYURBHY-UHFFFAOYSA-N 2 1 375.517 -0.012 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896562 1072224981 /nfs/dbraw/zinc/22/49/81/1072224981.db2.gz XZIAIYSJNAEHKR-HDICACEKSA-N 2 1 394.564 -0.975 20 0 GBADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419897331 1072225421 /nfs/dbraw/zinc/22/54/21/1072225421.db2.gz VSBAVYYDVUXZPF-BBWFWOEESA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419897331 1072225416 /nfs/dbraw/zinc/22/54/16/1072225416.db2.gz VSBAVYYDVUXZPF-BBWFWOEESA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419897333 1072225310 /nfs/dbraw/zinc/22/53/10/1072225310.db2.gz VSBAVYYDVUXZPF-BRWVUGGUSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419897335 1072225211 /nfs/dbraw/zinc/22/52/11/1072225211.db2.gz VSBAVYYDVUXZPF-IXDOHACOSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419897335 1072225197 /nfs/dbraw/zinc/22/51/97/1072225197.db2.gz VSBAVYYDVUXZPF-IXDOHACOSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419897337 1072225360 /nfs/dbraw/zinc/22/53/60/1072225360.db2.gz VSBAVYYDVUXZPF-ZACQAIPSSA-N 2 1 396.532 -0.029 20 0 GBADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419901579 1072225779 /nfs/dbraw/zinc/22/57/79/1072225779.db2.gz UICYGAKYOWGQIT-CYBMUJFWSA-N 2 1 380.411 -0.032 20 0 GBADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419901580 1072226750 /nfs/dbraw/zinc/22/67/50/1072226750.db2.gz UICYGAKYOWGQIT-ZDUSSCGKSA-N 2 1 380.411 -0.032 20 0 GBADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419902358 1072226145 /nfs/dbraw/zinc/22/61/45/1072226145.db2.gz DRNKBERVHBBGQE-YESZJQIVSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419911765 1072229782 /nfs/dbraw/zinc/22/97/82/1072229782.db2.gz DRNKBERVHBBGQE-ULQDDVLXSA-N 2 1 396.532 -0.029 20 0 GBADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000419922371 1072227257 /nfs/dbraw/zinc/22/72/57/1072227257.db2.gz OVYHQUMYHDWKNO-UHFFFAOYSA-N 2 1 395.548 -0.105 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923812 1072228472 /nfs/dbraw/zinc/22/84/72/1072228472.db2.gz GSNZHEASEBBGPN-DLBZAZTESA-N 2 1 387.484 -0.432 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923815 1072228412 /nfs/dbraw/zinc/22/84/12/1072228412.db2.gz GSNZHEASEBBGPN-IAGOWNOFSA-N 2 1 387.484 -0.432 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923817 1072228199 /nfs/dbraw/zinc/22/81/99/1072228199.db2.gz GSNZHEASEBBGPN-IRXDYDNUSA-N 2 1 387.484 -0.432 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923820 1072228232 /nfs/dbraw/zinc/22/82/32/1072228232.db2.gz GSNZHEASEBBGPN-SJORKVTESA-N 2 1 387.484 -0.432 20 0 GBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000419942051 1072232155 /nfs/dbraw/zinc/23/21/55/1072232155.db2.gz YTGFMHMXOCYPJW-MSOLQXFVSA-N 2 1 395.548 -0.502 20 0 GBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000419942052 1072232206 /nfs/dbraw/zinc/23/22/06/1072232206.db2.gz YTGFMHMXOCYPJW-QZTJIDSGSA-N 2 1 395.548 -0.502 20 0 GBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000419942959 1072232454 /nfs/dbraw/zinc/23/24/54/1072232454.db2.gz GNOPZEBSTJZTIO-DLBZAZTESA-N 2 1 383.537 -0.789 20 0 GBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000419942960 1072232190 /nfs/dbraw/zinc/23/21/90/1072232190.db2.gz GNOPZEBSTJZTIO-IAGOWNOFSA-N 2 1 383.537 -0.789 20 0 GBADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000419942961 1072232396 /nfs/dbraw/zinc/23/23/96/1072232396.db2.gz GNOPZEBSTJZTIO-IRXDYDNUSA-N 2 1 383.537 -0.789 20 0 GBADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000419942962 1072232178 /nfs/dbraw/zinc/23/21/78/1072232178.db2.gz GNOPZEBSTJZTIO-SJORKVTESA-N 2 1 383.537 -0.789 20 0 GBADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419960678 1072233295 /nfs/dbraw/zinc/23/32/95/1072233295.db2.gz SMNFNOBAVBGOMA-KRWDZBQOSA-N 2 1 375.517 -0.026 20 0 GBADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419960680 1072233037 /nfs/dbraw/zinc/23/30/37/1072233037.db2.gz SMNFNOBAVBGOMA-QGZVFWFLSA-N 2 1 375.517 -0.026 20 0 GBADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000419960879 1072233123 /nfs/dbraw/zinc/23/31/23/1072233123.db2.gz RXWRMWJMZPCIAB-KRWDZBQOSA-N 2 1 395.548 -0.121 20 0 GBADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000419960880 1072232964 /nfs/dbraw/zinc/23/29/64/1072232964.db2.gz RXWRMWJMZPCIAB-QGZVFWFLSA-N 2 1 395.548 -0.121 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974192 1072235074 /nfs/dbraw/zinc/23/50/74/1072235074.db2.gz HZBHSZLVHPZCNV-DLBZAZTESA-N 2 1 393.532 -0.225 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974193 1072235589 /nfs/dbraw/zinc/23/55/89/1072235589.db2.gz HZBHSZLVHPZCNV-IAGOWNOFSA-N 2 1 393.532 -0.225 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974194 1072235131 /nfs/dbraw/zinc/23/51/31/1072235131.db2.gz HZBHSZLVHPZCNV-IRXDYDNUSA-N 2 1 393.532 -0.225 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974195 1072235098 /nfs/dbraw/zinc/23/50/98/1072235098.db2.gz HZBHSZLVHPZCNV-SJORKVTESA-N 2 1 393.532 -0.225 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419980925 1072235967 /nfs/dbraw/zinc/23/59/67/1072235967.db2.gz SOIVRTWUNVVCAW-INIZCTEOSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419980926 1072235939 /nfs/dbraw/zinc/23/59/39/1072235939.db2.gz SOIVRTWUNVVCAW-MRXNPFEDSA-N 2 1 381.521 -0.367 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419997574 1072237441 /nfs/dbraw/zinc/23/74/41/1072237441.db2.gz KDMPNIULDPKPDT-CVEARBPZSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419997576 1072237601 /nfs/dbraw/zinc/23/76/01/1072237601.db2.gz KDMPNIULDPKPDT-HOTGVXAUSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419997578 1072237649 /nfs/dbraw/zinc/23/76/49/1072237649.db2.gz KDMPNIULDPKPDT-HZPDHXFCSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419997580 1072237692 /nfs/dbraw/zinc/23/76/92/1072237692.db2.gz KDMPNIULDPKPDT-JKSUJKDBSA-N 2 1 379.505 -0.743 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)CC1 ZINC000420011807 1072242869 /nfs/dbraw/zinc/24/28/69/1072242869.db2.gz IMSBKNXIVWDZCF-KRWDZBQOSA-N 2 1 395.548 -0.121 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)CC1 ZINC000420011810 1072242837 /nfs/dbraw/zinc/24/28/37/1072242837.db2.gz IMSBKNXIVWDZCF-QGZVFWFLSA-N 2 1 395.548 -0.121 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420034303 1072242025 /nfs/dbraw/zinc/24/20/25/1072242025.db2.gz JNYPLZGFQMKRRZ-GDBMZVCRSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420034303 1072242019 /nfs/dbraw/zinc/24/20/19/1072242019.db2.gz JNYPLZGFQMKRRZ-GDBMZVCRSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420034304 1072241785 /nfs/dbraw/zinc/24/17/85/1072241785.db2.gz JNYPLZGFQMKRRZ-GOEBONIOSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420034304 1072241784 /nfs/dbraw/zinc/24/17/84/1072241784.db2.gz JNYPLZGFQMKRRZ-GOEBONIOSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420034305 1072242048 /nfs/dbraw/zinc/24/20/48/1072242048.db2.gz JNYPLZGFQMKRRZ-HOCLYGCPSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420034305 1072242043 /nfs/dbraw/zinc/24/20/43/1072242043.db2.gz JNYPLZGFQMKRRZ-HOCLYGCPSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000420034306 1072241606 /nfs/dbraw/zinc/24/16/06/1072241606.db2.gz JNYPLZGFQMKRRZ-ZBFHGGJFSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000420034306 1072241598 /nfs/dbraw/zinc/24/15/98/1072241598.db2.gz JNYPLZGFQMKRRZ-ZBFHGGJFSA-N 2 1 383.537 -0.300 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420044809 1072246331 /nfs/dbraw/zinc/24/63/31/1072246331.db2.gz UFDXMSVOKJSLJJ-FMKPAKJESA-N 2 1 382.505 -0.073 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420044810 1072245887 /nfs/dbraw/zinc/24/58/87/1072245887.db2.gz UFDXMSVOKJSLJJ-IIAWOOMASA-N 2 1 382.505 -0.073 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420044811 1072246281 /nfs/dbraw/zinc/24/62/81/1072246281.db2.gz UFDXMSVOKJSLJJ-IJEWVQPXSA-N 2 1 382.505 -0.073 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000420044812 1072246022 /nfs/dbraw/zinc/24/60/22/1072246022.db2.gz UFDXMSVOKJSLJJ-YCPHGPKFSA-N 2 1 382.505 -0.073 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420047218 1072247062 /nfs/dbraw/zinc/24/70/62/1072247062.db2.gz WDHXMXLHXYACRJ-BBWFWOEESA-N 2 1 395.548 -0.156 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000420047224 1072247496 /nfs/dbraw/zinc/24/74/96/1072247496.db2.gz WDHXMXLHXYACRJ-GVDBMIGSSA-N 2 1 395.548 -0.156 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420047225 1072247420 /nfs/dbraw/zinc/24/74/20/1072247420.db2.gz WDHXMXLHXYACRJ-ULQDDVLXSA-N 2 1 395.548 -0.156 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000420047228 1072247108 /nfs/dbraw/zinc/24/71/08/1072247108.db2.gz WDHXMXLHXYACRJ-YESZJQIVSA-N 2 1 395.548 -0.156 20 0 GBADMP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC1 ZINC000420052883 1072248482 /nfs/dbraw/zinc/24/84/82/1072248482.db2.gz DBNOQHYXJHEDIR-CYBMUJFWSA-N 2 1 380.411 -0.047 20 0 GBADMP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC1 ZINC000420052884 1072248660 /nfs/dbraw/zinc/24/86/60/1072248660.db2.gz DBNOQHYXJHEDIR-ZDUSSCGKSA-N 2 1 380.411 -0.047 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000420063107 1072244716 /nfs/dbraw/zinc/24/47/16/1072244716.db2.gz NKHBDLMICVUTAN-FMKPAKJESA-N 2 1 382.505 -0.073 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000420063108 1072244489 /nfs/dbraw/zinc/24/44/89/1072244489.db2.gz NKHBDLMICVUTAN-IIAWOOMASA-N 2 1 382.505 -0.073 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000420063109 1072244401 /nfs/dbraw/zinc/24/44/01/1072244401.db2.gz NKHBDLMICVUTAN-IJEWVQPXSA-N 2 1 382.505 -0.073 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000420063110 1072244794 /nfs/dbraw/zinc/24/47/94/1072244794.db2.gz NKHBDLMICVUTAN-YCPHGPKFSA-N 2 1 382.505 -0.073 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420068440 1072249187 /nfs/dbraw/zinc/24/91/87/1072249187.db2.gz ZLPJCEJSSBAATP-CVEARBPZSA-N 2 1 379.505 -0.615 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420068441 1072249472 /nfs/dbraw/zinc/24/94/72/1072249472.db2.gz ZLPJCEJSSBAATP-HOTGVXAUSA-N 2 1 379.505 -0.615 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420068442 1072249324 /nfs/dbraw/zinc/24/93/24/1072249324.db2.gz ZLPJCEJSSBAATP-HZPDHXFCSA-N 2 1 379.505 -0.615 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420068443 1072249215 /nfs/dbraw/zinc/24/92/15/1072249215.db2.gz ZLPJCEJSSBAATP-JKSUJKDBSA-N 2 1 379.505 -0.615 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420093572 1072255047 /nfs/dbraw/zinc/25/50/47/1072255047.db2.gz PWXNHTLENNWDEY-GOSISDBHSA-N 2 1 399.495 -0.329 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420093577 1072254962 /nfs/dbraw/zinc/25/49/62/1072254962.db2.gz PWXNHTLENNWDEY-SFHVURJKSA-N 2 1 399.495 -0.329 20 0 GBADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000420111236 1072254346 /nfs/dbraw/zinc/25/43/46/1072254346.db2.gz GHBIBVGJLPKURJ-AQDBYXPISA-N 2 1 377.533 -0.130 20 0 GBADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000420111237 1072254150 /nfs/dbraw/zinc/25/41/50/1072254150.db2.gz GHBIBVGJLPKURJ-FNNOIMFVSA-N 2 1 377.533 -0.130 20 0 GBADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000420111238 1072254199 /nfs/dbraw/zinc/25/41/99/1072254199.db2.gz GHBIBVGJLPKURJ-HVVXOQGOSA-N 2 1 377.533 -0.130 20 0 GBADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000420111239 1072254135 /nfs/dbraw/zinc/25/41/35/1072254135.db2.gz GHBIBVGJLPKURJ-WKUFJEKOSA-N 2 1 377.533 -0.130 20 0 GBADMP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000420133862 1072255739 /nfs/dbraw/zinc/25/57/39/1072255739.db2.gz STRJHDRVRMAQRU-HNNXBMFYSA-N 2 1 389.500 -0.055 20 0 GBADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000420133864 1072255721 /nfs/dbraw/zinc/25/57/21/1072255721.db2.gz STRJHDRVRMAQRU-OAHLLOKOSA-N 2 1 389.500 -0.055 20 0 GBADMP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)CC1 ZINC000420150112 1072260456 /nfs/dbraw/zinc/26/04/56/1072260456.db2.gz JWUSEWLHDNFFJB-UHFFFAOYSA-N 2 1 375.464 -0.286 20 0 GBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1)Cc1ccccc1 ZINC000420151748 1072260560 /nfs/dbraw/zinc/26/05/60/1072260560.db2.gz NTQUPWCNWDKSAY-UHFFFAOYSA-N 2 1 397.470 -0.027 20 0 GBADMP C[N@H+](CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1)Cc1ccccc1 ZINC000420151748 1072260552 /nfs/dbraw/zinc/26/05/52/1072260552.db2.gz NTQUPWCNWDKSAY-UHFFFAOYSA-N 2 1 397.470 -0.027 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420152629 1072260106 /nfs/dbraw/zinc/26/01/06/1072260106.db2.gz AHUYDBAKSFWGAN-HNNXBMFYSA-N 2 1 381.521 -0.497 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420152632 1072260625 /nfs/dbraw/zinc/26/06/25/1072260625.db2.gz AHUYDBAKSFWGAN-OAHLLOKOSA-N 2 1 381.521 -0.497 20 0 GBADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420160840 1072257635 /nfs/dbraw/zinc/25/76/35/1072257635.db2.gz BRFOSCXBUHVJHT-KBPBESRZSA-N 2 1 375.464 -0.286 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420160841 1072257790 /nfs/dbraw/zinc/25/77/90/1072257790.db2.gz BRFOSCXBUHVJHT-OKILXGFUSA-N 2 1 375.464 -0.286 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420160841 1072257786 /nfs/dbraw/zinc/25/77/86/1072257786.db2.gz BRFOSCXBUHVJHT-OKILXGFUSA-N 2 1 375.464 -0.286 20 0 GBADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420160842 1072257990 /nfs/dbraw/zinc/25/79/90/1072257990.db2.gz BRFOSCXBUHVJHT-ZIAGYGMSSA-N 2 1 375.464 -0.286 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161224 1072257739 /nfs/dbraw/zinc/25/77/39/1072257739.db2.gz JNCWRLOKEMIPGZ-CVEARBPZSA-N 2 1 393.532 -0.354 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161225 1072257839 /nfs/dbraw/zinc/25/78/39/1072257839.db2.gz JNCWRLOKEMIPGZ-HOTGVXAUSA-N 2 1 393.532 -0.354 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161226 1072258028 /nfs/dbraw/zinc/25/80/28/1072258028.db2.gz JNCWRLOKEMIPGZ-HZPDHXFCSA-N 2 1 393.532 -0.354 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161227 1072257768 /nfs/dbraw/zinc/25/77/68/1072257768.db2.gz JNCWRLOKEMIPGZ-JKSUJKDBSA-N 2 1 393.532 -0.354 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162423 1072258089 /nfs/dbraw/zinc/25/80/89/1072258089.db2.gz IEVJYYIDQTUTBH-INIZCTEOSA-N 2 1 377.489 -0.823 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162424 1072258117 /nfs/dbraw/zinc/25/81/17/1072258117.db2.gz IEVJYYIDQTUTBH-MRXNPFEDSA-N 2 1 377.489 -0.823 20 0 GBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420176071 1072261351 /nfs/dbraw/zinc/26/13/51/1072261351.db2.gz PMRRVKSPADAWSH-KRWDZBQOSA-N 2 1 384.427 -0.208 20 0 GBADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420176071 1072261343 /nfs/dbraw/zinc/26/13/43/1072261343.db2.gz PMRRVKSPADAWSH-KRWDZBQOSA-N 2 1 384.427 -0.208 20 0 GBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420176073 1072261691 /nfs/dbraw/zinc/26/16/91/1072261691.db2.gz PMRRVKSPADAWSH-QGZVFWFLSA-N 2 1 384.427 -0.208 20 0 GBADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420176073 1072261676 /nfs/dbraw/zinc/26/16/76/1072261676.db2.gz PMRRVKSPADAWSH-QGZVFWFLSA-N 2 1 384.427 -0.208 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000420179033 1072262230 /nfs/dbraw/zinc/26/22/30/1072262230.db2.gz ALADSUJTFMIKCV-AWEZNQCLSA-N 2 1 391.438 -0.365 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000420179037 1072262481 /nfs/dbraw/zinc/26/24/81/1072262481.db2.gz ALADSUJTFMIKCV-CQSZACIVSA-N 2 1 391.438 -0.365 20 0 GBADMP COCC[NH2+]CCNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000420179048 1072262145 /nfs/dbraw/zinc/26/21/45/1072262145.db2.gz FIPLFGJUABLBBZ-UHFFFAOYSA-N 2 1 383.537 -0.595 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420179554 1072261561 /nfs/dbraw/zinc/26/15/61/1072261561.db2.gz ARUPUDSOAKEDOQ-AWEZNQCLSA-N 2 1 391.438 -0.507 20 0 GBADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000420179556 1072261398 /nfs/dbraw/zinc/26/13/98/1072261398.db2.gz ARUPUDSOAKEDOQ-CQSZACIVSA-N 2 1 391.438 -0.507 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000420180701 1072263009 /nfs/dbraw/zinc/26/30/09/1072263009.db2.gz BXRXWEPSXUGRDY-HZSPNIEDSA-N 2 1 391.438 -0.509 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000420180704 1072262851 /nfs/dbraw/zinc/26/28/51/1072262851.db2.gz BXRXWEPSXUGRDY-MCIONIFRSA-N 2 1 391.438 -0.509 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000420180707 1072263435 /nfs/dbraw/zinc/26/34/35/1072263435.db2.gz BXRXWEPSXUGRDY-MGPQQGTHSA-N 2 1 391.438 -0.509 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000420180710 1072263329 /nfs/dbraw/zinc/26/33/29/1072263329.db2.gz BXRXWEPSXUGRDY-RDBSUJKOSA-N 2 1 391.438 -0.509 20 0 GBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420181838 1072263304 /nfs/dbraw/zinc/26/33/04/1072263304.db2.gz IWWRFWTVFYFKMO-IYBDPMFKSA-N 2 1 384.521 -0.314 20 0 GBADMP COCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420183048 1072263360 /nfs/dbraw/zinc/26/33/60/1072263360.db2.gz KZOWLJUYVDBKHB-CALCHBBNSA-N 2 1 383.537 -0.644 20 0 GBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000420187068 1072268850 /nfs/dbraw/zinc/26/88/50/1072268850.db2.gz LQMXNVQOBRPDPP-NCOADZHNSA-N 2 1 382.505 -0.419 20 0 GBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000420187071 1072269279 /nfs/dbraw/zinc/26/92/79/1072269279.db2.gz LQMXNVQOBRPDPP-VVLHAWIVSA-N 2 1 382.505 -0.419 20 0 GBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000420187071 1072269272 /nfs/dbraw/zinc/26/92/72/1072269272.db2.gz LQMXNVQOBRPDPP-VVLHAWIVSA-N 2 1 382.505 -0.419 20 0 GBADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H](C)O1 ZINC000420187074 1072269119 /nfs/dbraw/zinc/26/91/19/1072269119.db2.gz LQMXNVQOBRPDPP-WCXIOVBPSA-N 2 1 382.505 -0.419 20 0 GBADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000420187077 1072270030 /nfs/dbraw/zinc/27/00/30/1072270030.db2.gz LQMXNVQOBRPDPP-YVSFHVDLSA-N 2 1 382.505 -0.419 20 0 GBADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](C)O1 ZINC000420187077 1072270021 /nfs/dbraw/zinc/27/00/21/1072270021.db2.gz LQMXNVQOBRPDPP-YVSFHVDLSA-N 2 1 382.505 -0.419 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000420187721 1072269922 /nfs/dbraw/zinc/26/99/22/1072269922.db2.gz BQYOPOPCHKEEGM-CYBMUJFWSA-N 2 1 396.410 -0.796 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000420187722 1072269898 /nfs/dbraw/zinc/26/98/98/1072269898.db2.gz BQYOPOPCHKEEGM-ZDUSSCGKSA-N 2 1 396.410 -0.796 20 0 GBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420190512 1072270068 /nfs/dbraw/zinc/27/00/68/1072270068.db2.gz FYABRKQCNWVXQE-KRWDZBQOSA-N 2 1 384.521 -0.312 20 0 GBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420190514 1072270208 /nfs/dbraw/zinc/27/02/08/1072270208.db2.gz FYABRKQCNWVXQE-QGZVFWFLSA-N 2 1 384.521 -0.312 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420190820 1072270636 /nfs/dbraw/zinc/27/06/36/1072270636.db2.gz POIYNEKOVHMSTB-HNNXBMFYSA-N 2 1 380.514 -0.071 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420190821 1072270769 /nfs/dbraw/zinc/27/07/69/1072270769.db2.gz POIYNEKOVHMSTB-OAHLLOKOSA-N 2 1 380.514 -0.071 20 0 GBADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420193433 1072271171 /nfs/dbraw/zinc/27/11/71/1072271171.db2.gz IWZGCQKCMJDTLT-GOSISDBHSA-N 2 1 390.484 -0.166 20 0 GBADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420193433 1072271167 /nfs/dbraw/zinc/27/11/67/1072271167.db2.gz IWZGCQKCMJDTLT-GOSISDBHSA-N 2 1 390.484 -0.166 20 0 GBADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420193435 1072271025 /nfs/dbraw/zinc/27/10/25/1072271025.db2.gz IWZGCQKCMJDTLT-SFHVURJKSA-N 2 1 390.484 -0.166 20 0 GBADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000420193435 1072271020 /nfs/dbraw/zinc/27/10/20/1072271020.db2.gz IWZGCQKCMJDTLT-SFHVURJKSA-N 2 1 390.484 -0.166 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420193869 1072272041 /nfs/dbraw/zinc/27/20/41/1072272041.db2.gz RVBOQMNJZZIBEV-FGTMMUONSA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420193872 1072272026 /nfs/dbraw/zinc/27/20/26/1072272026.db2.gz RVBOQMNJZZIBEV-KSZLIROESA-N 2 1 395.548 -0.502 20 0 GBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201026 1072266837 /nfs/dbraw/zinc/26/68/37/1072266837.db2.gz NHKGPJLQBKPFNQ-FXAWDEMLSA-N 2 1 390.484 -0.814 20 0 GBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201028 1072267058 /nfs/dbraw/zinc/26/70/58/1072267058.db2.gz NHKGPJLQBKPFNQ-PXNSSMCTSA-N 2 1 390.484 -0.814 20 0 GBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420201031 1072267095 /nfs/dbraw/zinc/26/70/95/1072267095.db2.gz NHKGPJLQBKPFNQ-XLIONFOSSA-N 2 1 390.484 -0.814 20 0 GBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420201033 1072266611 /nfs/dbraw/zinc/26/66/11/1072266611.db2.gz NHKGPJLQBKPFNQ-YLJYHZDGSA-N 2 1 390.484 -0.814 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420201901 1072266889 /nfs/dbraw/zinc/26/68/89/1072266889.db2.gz YRKDVTZCVOVAPQ-DLBZAZTESA-N 2 1 381.521 -0.890 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420201905 1072266594 /nfs/dbraw/zinc/26/65/94/1072266594.db2.gz YRKDVTZCVOVAPQ-IAGOWNOFSA-N 2 1 381.521 -0.890 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420201907 1072266959 /nfs/dbraw/zinc/26/69/59/1072266959.db2.gz YRKDVTZCVOVAPQ-IRXDYDNUSA-N 2 1 381.521 -0.890 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420201909 1072266635 /nfs/dbraw/zinc/26/66/35/1072266635.db2.gz YRKDVTZCVOVAPQ-SJORKVTESA-N 2 1 381.521 -0.890 20 0 GBADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000420204225 1072267489 /nfs/dbraw/zinc/26/74/89/1072267489.db2.gz QYQQZYADLJFBCX-JZXOWHBKSA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000420204230 1072268205 /nfs/dbraw/zinc/26/82/05/1072268205.db2.gz QYQQZYADLJFBCX-SOLBZPMBSA-N 2 1 396.532 -0.171 20 0 GBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420204647 1072267637 /nfs/dbraw/zinc/26/76/37/1072267637.db2.gz CQWTWQWFAMQJBF-AWEZNQCLSA-N 2 1 393.454 -0.261 20 0 GBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420204649 1072267790 /nfs/dbraw/zinc/26/77/90/1072267790.db2.gz CQWTWQWFAMQJBF-CQSZACIVSA-N 2 1 393.454 -0.261 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420206661 1072269154 /nfs/dbraw/zinc/26/91/54/1072269154.db2.gz SWHGDTPRUUUNML-MSOLQXFVSA-N 2 1 389.500 -0.001 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420206662 1072268548 /nfs/dbraw/zinc/26/85/48/1072268548.db2.gz SWHGDTPRUUUNML-QZTJIDSGSA-N 2 1 389.500 -0.001 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420206663 1072268877 /nfs/dbraw/zinc/26/88/77/1072268877.db2.gz SWHGDTPRUUUNML-ROUUACIJSA-N 2 1 389.500 -0.001 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420206664 1072268749 /nfs/dbraw/zinc/26/87/49/1072268749.db2.gz SWHGDTPRUUUNML-ZWKOTPCHSA-N 2 1 389.500 -0.001 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420207214 1072269071 /nfs/dbraw/zinc/26/90/71/1072269071.db2.gz TUSCJWRHVDFQDT-BBWFWOEESA-N 2 1 381.521 -0.892 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420207216 1072268712 /nfs/dbraw/zinc/26/87/12/1072268712.db2.gz TUSCJWRHVDFQDT-IXDOHACOSA-N 2 1 381.521 -0.892 20 0 GBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208668 1072274763 /nfs/dbraw/zinc/27/47/63/1072274763.db2.gz GJYFTFGEDFUAKC-KBPBESRZSA-N 2 1 393.454 -0.213 20 0 GBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208670 1072274645 /nfs/dbraw/zinc/27/46/45/1072274645.db2.gz GJYFTFGEDFUAKC-KGLIPLIRSA-N 2 1 393.454 -0.213 20 0 GBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208672 1072274527 /nfs/dbraw/zinc/27/45/27/1072274527.db2.gz GJYFTFGEDFUAKC-UONOGXRCSA-N 2 1 393.454 -0.213 20 0 GBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208674 1072274713 /nfs/dbraw/zinc/27/47/13/1072274713.db2.gz GJYFTFGEDFUAKC-ZIAGYGMSSA-N 2 1 393.454 -0.213 20 0 GBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420209618 1072274337 /nfs/dbraw/zinc/27/43/37/1072274337.db2.gz GVBSCUIOEKTPMO-CYBMUJFWSA-N 2 1 379.427 -0.509 20 0 GBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420209619 1072274241 /nfs/dbraw/zinc/27/42/41/1072274241.db2.gz GVBSCUIOEKTPMO-ZDUSSCGKSA-N 2 1 379.427 -0.509 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000420209620 1072274501 /nfs/dbraw/zinc/27/45/01/1072274501.db2.gz GVDQCWPGYQAXMI-HZSPNIEDSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000420209620 1072274490 /nfs/dbraw/zinc/27/44/90/1072274490.db2.gz GVDQCWPGYQAXMI-HZSPNIEDSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000420209648 1072275243 /nfs/dbraw/zinc/27/52/43/1072275243.db2.gz GVDQCWPGYQAXMI-IHRRRGAJSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000420209648 1072275236 /nfs/dbraw/zinc/27/52/36/1072275236.db2.gz GVDQCWPGYQAXMI-IHRRRGAJSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000420209651 1072275449 /nfs/dbraw/zinc/27/54/49/1072275449.db2.gz GVDQCWPGYQAXMI-MELADBBJSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC000420209651 1072275440 /nfs/dbraw/zinc/27/54/40/1072275440.db2.gz GVDQCWPGYQAXMI-MELADBBJSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000420209656 1072275722 /nfs/dbraw/zinc/27/57/22/1072275722.db2.gz GVDQCWPGYQAXMI-RDBSUJKOSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC000420209656 1072275716 /nfs/dbraw/zinc/27/57/16/1072275716.db2.gz GVDQCWPGYQAXMI-RDBSUJKOSA-N 2 1 393.454 -0.120 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000420210543 1072275892 /nfs/dbraw/zinc/27/58/92/1072275892.db2.gz HGASOTYMRJHONJ-KBPBESRZSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000420210543 1072275885 /nfs/dbraw/zinc/27/58/85/1072275885.db2.gz HGASOTYMRJHONJ-KBPBESRZSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000420210544 1072275839 /nfs/dbraw/zinc/27/58/39/1072275839.db2.gz HGASOTYMRJHONJ-KGLIPLIRSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000420210544 1072275830 /nfs/dbraw/zinc/27/58/30/1072275830.db2.gz HGASOTYMRJHONJ-KGLIPLIRSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000420210545 1072275603 /nfs/dbraw/zinc/27/56/03/1072275603.db2.gz HGASOTYMRJHONJ-UONOGXRCSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000420210545 1072275594 /nfs/dbraw/zinc/27/55/94/1072275594.db2.gz HGASOTYMRJHONJ-UONOGXRCSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1C ZINC000420210546 1072275295 /nfs/dbraw/zinc/27/52/95/1072275295.db2.gz HGASOTYMRJHONJ-ZIAGYGMSSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[N@@H+]1C ZINC000420210546 1072275290 /nfs/dbraw/zinc/27/52/90/1072275290.db2.gz HGASOTYMRJHONJ-ZIAGYGMSSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420213356 1072276462 /nfs/dbraw/zinc/27/64/62/1072276462.db2.gz JBJZSZZMNHDDNM-AWEZNQCLSA-N 2 1 393.454 -0.119 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420213358 1072276913 /nfs/dbraw/zinc/27/69/13/1072276913.db2.gz JBJZSZZMNHDDNM-CQSZACIVSA-N 2 1 393.454 -0.119 20 0 GBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420214169 1072276864 /nfs/dbraw/zinc/27/68/64/1072276864.db2.gz JXKDKIVGGSGJKJ-CYBMUJFWSA-N 2 1 379.427 -0.507 20 0 GBADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420214172 1072276626 /nfs/dbraw/zinc/27/66/26/1072276626.db2.gz JXKDKIVGGSGJKJ-ZDUSSCGKSA-N 2 1 379.427 -0.507 20 0 GBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215716 1072277475 /nfs/dbraw/zinc/27/74/75/1072277475.db2.gz LJAQUFVHUWVOBN-KBPBESRZSA-N 2 1 393.454 -0.120 20 0 GBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215718 1072277538 /nfs/dbraw/zinc/27/75/38/1072277538.db2.gz LJAQUFVHUWVOBN-KGLIPLIRSA-N 2 1 393.454 -0.120 20 0 GBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215720 1072277595 /nfs/dbraw/zinc/27/75/95/1072277595.db2.gz LJAQUFVHUWVOBN-UONOGXRCSA-N 2 1 393.454 -0.120 20 0 GBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215722 1072277807 /nfs/dbraw/zinc/27/78/07/1072277807.db2.gz LJAQUFVHUWVOBN-ZIAGYGMSSA-N 2 1 393.454 -0.120 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217711 1072277504 /nfs/dbraw/zinc/27/75/04/1072277504.db2.gz NAOBJLLOBBNTKY-CHWSQXEVSA-N 2 1 379.427 -0.461 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217713 1072278685 /nfs/dbraw/zinc/27/86/85/1072278685.db2.gz NAOBJLLOBBNTKY-OLZOCXBDSA-N 2 1 379.427 -0.461 20 0 GBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217715 1072278426 /nfs/dbraw/zinc/27/84/26/1072278426.db2.gz NAOBJLLOBBNTKY-QWHCGFSZSA-N 2 1 379.427 -0.461 20 0 GBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217717 1072278350 /nfs/dbraw/zinc/27/83/50/1072278350.db2.gz NAOBJLLOBBNTKY-STQMWFEESA-N 2 1 379.427 -0.461 20 0 GBADMP CN(C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000420217760 1072278579 /nfs/dbraw/zinc/27/85/79/1072278579.db2.gz NCZHHMKNWSLYTL-KBPBESRZSA-N 2 1 391.438 -0.366 20 0 GBADMP CN(C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000420217762 1072278606 /nfs/dbraw/zinc/27/86/06/1072278606.db2.gz NCZHHMKNWSLYTL-KGLIPLIRSA-N 2 1 391.438 -0.366 20 0 GBADMP CN(C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000420217764 1072278507 /nfs/dbraw/zinc/27/85/07/1072278507.db2.gz NCZHHMKNWSLYTL-UONOGXRCSA-N 2 1 391.438 -0.366 20 0 GBADMP CN(C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000420217766 1072278446 /nfs/dbraw/zinc/27/84/46/1072278446.db2.gz NCZHHMKNWSLYTL-ZIAGYGMSSA-N 2 1 391.438 -0.366 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221796 1072272838 /nfs/dbraw/zinc/27/28/38/1072272838.db2.gz QSYWCZIQSZLLBF-KBPBESRZSA-N 2 1 393.454 -0.261 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221797 1072272590 /nfs/dbraw/zinc/27/25/90/1072272590.db2.gz QSYWCZIQSZLLBF-KGLIPLIRSA-N 2 1 393.454 -0.261 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221798 1072272547 /nfs/dbraw/zinc/27/25/47/1072272547.db2.gz QSYWCZIQSZLLBF-UONOGXRCSA-N 2 1 393.454 -0.261 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221799 1072272663 /nfs/dbraw/zinc/27/26/63/1072272663.db2.gz QSYWCZIQSZLLBF-ZIAGYGMSSA-N 2 1 393.454 -0.261 20 0 GBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222303 1072273011 /nfs/dbraw/zinc/27/30/11/1072273011.db2.gz RSKFSEWYOAKIRO-KBPBESRZSA-N 2 1 393.454 -0.261 20 0 GBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222304 1072273028 /nfs/dbraw/zinc/27/30/28/1072273028.db2.gz RSKFSEWYOAKIRO-KGLIPLIRSA-N 2 1 393.454 -0.261 20 0 GBADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222305 1072272499 /nfs/dbraw/zinc/27/24/99/1072272499.db2.gz RSKFSEWYOAKIRO-UONOGXRCSA-N 2 1 393.454 -0.261 20 0 GBADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222306 1072272814 /nfs/dbraw/zinc/27/28/14/1072272814.db2.gz RSKFSEWYOAKIRO-ZIAGYGMSSA-N 2 1 393.454 -0.261 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000420223511 1072272463 /nfs/dbraw/zinc/27/24/63/1072272463.db2.gz VFCLMMGLLRMVLQ-CYBMUJFWSA-N 2 1 381.443 -0.215 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000420223512 1072273460 /nfs/dbraw/zinc/27/34/60/1072273460.db2.gz VFCLMMGLLRMVLQ-ZDUSSCGKSA-N 2 1 381.443 -0.215 20 0 GBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224271 1072273721 /nfs/dbraw/zinc/27/37/21/1072273721.db2.gz WVHOFVUQOKHRAT-CHWSQXEVSA-N 2 1 379.427 -0.509 20 0 GBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224273 1072273340 /nfs/dbraw/zinc/27/33/40/1072273340.db2.gz WVHOFVUQOKHRAT-OLZOCXBDSA-N 2 1 379.427 -0.509 20 0 GBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224274 1072273312 /nfs/dbraw/zinc/27/33/12/1072273312.db2.gz WVHOFVUQOKHRAT-QWHCGFSZSA-N 2 1 379.427 -0.509 20 0 GBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224276 1072273571 /nfs/dbraw/zinc/27/35/71/1072273571.db2.gz WVHOFVUQOKHRAT-STQMWFEESA-N 2 1 379.427 -0.509 20 0 GBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225700 1072274584 /nfs/dbraw/zinc/27/45/84/1072274584.db2.gz YWWXUMDIFXDGPV-GFCCVEGCSA-N 2 1 397.467 -0.896 20 0 GBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420225704 1072274673 /nfs/dbraw/zinc/27/46/73/1072274673.db2.gz YWWXUMDIFXDGPV-LBPRGKRZSA-N 2 1 397.467 -0.896 20 0 GBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226016 1072274318 /nfs/dbraw/zinc/27/43/18/1072274318.db2.gz ZHLFYPITGCHZKT-KBPBESRZSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226016 1072274311 /nfs/dbraw/zinc/27/43/11/1072274311.db2.gz ZHLFYPITGCHZKT-KBPBESRZSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226017 1072274283 /nfs/dbraw/zinc/27/42/83/1072274283.db2.gz ZHLFYPITGCHZKT-KGLIPLIRSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226017 1072274274 /nfs/dbraw/zinc/27/42/74/1072274274.db2.gz ZHLFYPITGCHZKT-KGLIPLIRSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226018 1072274191 /nfs/dbraw/zinc/27/41/91/1072274191.db2.gz ZHLFYPITGCHZKT-UONOGXRCSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226018 1072274188 /nfs/dbraw/zinc/27/41/88/1072274188.db2.gz ZHLFYPITGCHZKT-UONOGXRCSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226019 1072274446 /nfs/dbraw/zinc/27/44/46/1072274446.db2.gz ZHLFYPITGCHZKT-ZIAGYGMSSA-N 2 1 393.454 -0.263 20 0 GBADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420226019 1072274437 /nfs/dbraw/zinc/27/44/37/1072274437.db2.gz ZHLFYPITGCHZKT-ZIAGYGMSSA-N 2 1 393.454 -0.263 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371331 1072282480 /nfs/dbraw/zinc/28/24/80/1072282480.db2.gz DDQDLMGWQDZKMO-AXAPSJFSSA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420371332 1072282455 /nfs/dbraw/zinc/28/24/55/1072282455.db2.gz DDQDLMGWQDZKMO-FFSVYQOJSA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371334 1072282166 /nfs/dbraw/zinc/28/21/66/1072282166.db2.gz DDQDLMGWQDZKMO-KFNAQCHYSA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420371336 1072282384 /nfs/dbraw/zinc/28/23/84/1072282384.db2.gz DDQDLMGWQDZKMO-PVXIVEMSSA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@@H]1CC[C@H](O)C[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000421028638 1072308756 /nfs/dbraw/zinc/30/87/56/1072308756.db2.gz WLHZRNRFYMDGQD-BDXSIMOUSA-N 2 1 396.532 -0.652 20 0 GBADMP COCC(COC)N1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000421517645 1072330351 /nfs/dbraw/zinc/33/03/51/1072330351.db2.gz NPYWKLXMNZBWJC-INIZCTEOSA-N 2 1 384.521 -0.360 20 0 GBADMP COCC(COC)N1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000421517646 1072330692 /nfs/dbraw/zinc/33/06/92/1072330692.db2.gz NPYWKLXMNZBWJC-MRXNPFEDSA-N 2 1 384.521 -0.360 20 0 GBADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000421523808 1072330789 /nfs/dbraw/zinc/33/07/89/1072330789.db2.gz UIANBDZTZOGNDJ-KRWDZBQOSA-N 2 1 396.532 -0.168 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000421523811 1072331051 /nfs/dbraw/zinc/33/10/51/1072331051.db2.gz UIANBDZTZOGNDJ-QGZVFWFLSA-N 2 1 396.532 -0.168 20 0 GBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000422111501 1072353574 /nfs/dbraw/zinc/35/35/74/1072353574.db2.gz DFJZBWNUOGUFGK-INIZCTEOSA-N 2 1 379.505 -0.694 20 0 GBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000422111503 1072353073 /nfs/dbraw/zinc/35/30/73/1072353073.db2.gz DFJZBWNUOGUFGK-MRXNPFEDSA-N 2 1 379.505 -0.694 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422111825 1072353146 /nfs/dbraw/zinc/35/31/46/1072353146.db2.gz DOMYUSKGSHJSGG-INIZCTEOSA-N 2 1 381.521 -0.448 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422111828 1072353267 /nfs/dbraw/zinc/35/32/67/1072353267.db2.gz DOMYUSKGSHJSGG-MRXNPFEDSA-N 2 1 381.521 -0.448 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280450 1072434882 /nfs/dbraw/zinc/43/48/82/1072434882.db2.gz HLFVIYWUGBMQDU-CVEARBPZSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280450 1072434881 /nfs/dbraw/zinc/43/48/81/1072434881.db2.gz HLFVIYWUGBMQDU-CVEARBPZSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280450 1072434879 /nfs/dbraw/zinc/43/48/79/1072434879.db2.gz HLFVIYWUGBMQDU-CVEARBPZSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280453 1072435149 /nfs/dbraw/zinc/43/51/49/1072435149.db2.gz HLFVIYWUGBMQDU-HOTGVXAUSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280453 1072435142 /nfs/dbraw/zinc/43/51/42/1072435142.db2.gz HLFVIYWUGBMQDU-HOTGVXAUSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280453 1072435137 /nfs/dbraw/zinc/43/51/37/1072435137.db2.gz HLFVIYWUGBMQDU-HOTGVXAUSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280455 1072434846 /nfs/dbraw/zinc/43/48/46/1072434846.db2.gz HLFVIYWUGBMQDU-HZPDHXFCSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280455 1072434843 /nfs/dbraw/zinc/43/48/43/1072434843.db2.gz HLFVIYWUGBMQDU-HZPDHXFCSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280455 1072434842 /nfs/dbraw/zinc/43/48/42/1072434842.db2.gz HLFVIYWUGBMQDU-HZPDHXFCSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280456 1072435113 /nfs/dbraw/zinc/43/51/13/1072435113.db2.gz HLFVIYWUGBMQDU-JKSUJKDBSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280456 1072435110 /nfs/dbraw/zinc/43/51/10/1072435110.db2.gz HLFVIYWUGBMQDU-JKSUJKDBSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280456 1072435105 /nfs/dbraw/zinc/43/51/05/1072435105.db2.gz HLFVIYWUGBMQDU-JKSUJKDBSA-N 2 1 381.521 -0.369 20 0 GBADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)CC2)CC1 ZINC000422280994 1072434950 /nfs/dbraw/zinc/43/49/50/1072434950.db2.gz ASRLFPVXKZERGM-UHFFFAOYSA-N 2 1 397.564 -0.301 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422283944 1072435967 /nfs/dbraw/zinc/43/59/67/1072435967.db2.gz OMUJLZRRZASKKD-UHFFFAOYSA-N 2 1 397.564 -0.253 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422291037 1072436072 /nfs/dbraw/zinc/43/60/72/1072436072.db2.gz FNTFWCSQOFDDBN-DLBZAZTESA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422291037 1072436069 /nfs/dbraw/zinc/43/60/69/1072436069.db2.gz FNTFWCSQOFDDBN-DLBZAZTESA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422291037 1072436066 /nfs/dbraw/zinc/43/60/66/1072436066.db2.gz FNTFWCSQOFDDBN-DLBZAZTESA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422291038 1072437178 /nfs/dbraw/zinc/43/71/78/1072437178.db2.gz FNTFWCSQOFDDBN-IAGOWNOFSA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422291038 1072437174 /nfs/dbraw/zinc/43/71/74/1072437174.db2.gz FNTFWCSQOFDDBN-IAGOWNOFSA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422291038 1072437169 /nfs/dbraw/zinc/43/71/69/1072437169.db2.gz FNTFWCSQOFDDBN-IAGOWNOFSA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422291039 1072436940 /nfs/dbraw/zinc/43/69/40/1072436940.db2.gz FNTFWCSQOFDDBN-IRXDYDNUSA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422291039 1072436934 /nfs/dbraw/zinc/43/69/34/1072436934.db2.gz FNTFWCSQOFDDBN-IRXDYDNUSA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422291039 1072436927 /nfs/dbraw/zinc/43/69/27/1072436927.db2.gz FNTFWCSQOFDDBN-IRXDYDNUSA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422291040 1072436840 /nfs/dbraw/zinc/43/68/40/1072436840.db2.gz FNTFWCSQOFDDBN-SJORKVTESA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422291040 1072436834 /nfs/dbraw/zinc/43/68/34/1072436834.db2.gz FNTFWCSQOFDDBN-SJORKVTESA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422291040 1072436831 /nfs/dbraw/zinc/43/68/31/1072436831.db2.gz FNTFWCSQOFDDBN-SJORKVTESA-N 2 1 395.548 -0.107 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422293488 1072436902 /nfs/dbraw/zinc/43/69/02/1072436902.db2.gz LBRZKSCYVOFYLU-CVEARBPZSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422293488 1072436896 /nfs/dbraw/zinc/43/68/96/1072436896.db2.gz LBRZKSCYVOFYLU-CVEARBPZSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422293488 1072436891 /nfs/dbraw/zinc/43/68/91/1072436891.db2.gz LBRZKSCYVOFYLU-CVEARBPZSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422293490 1072436603 /nfs/dbraw/zinc/43/66/03/1072436603.db2.gz LBRZKSCYVOFYLU-HOTGVXAUSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422293490 1072436600 /nfs/dbraw/zinc/43/66/00/1072436600.db2.gz LBRZKSCYVOFYLU-HOTGVXAUSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422293490 1072436596 /nfs/dbraw/zinc/43/65/96/1072436596.db2.gz LBRZKSCYVOFYLU-HOTGVXAUSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422293492 1072436516 /nfs/dbraw/zinc/43/65/16/1072436516.db2.gz LBRZKSCYVOFYLU-HZPDHXFCSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422293492 1072436512 /nfs/dbraw/zinc/43/65/12/1072436512.db2.gz LBRZKSCYVOFYLU-HZPDHXFCSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422293492 1072436508 /nfs/dbraw/zinc/43/65/08/1072436508.db2.gz LBRZKSCYVOFYLU-HZPDHXFCSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422293494 1072437140 /nfs/dbraw/zinc/43/71/40/1072437140.db2.gz LBRZKSCYVOFYLU-JKSUJKDBSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422293494 1072437134 /nfs/dbraw/zinc/43/71/34/1072437134.db2.gz LBRZKSCYVOFYLU-JKSUJKDBSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422293494 1072437129 /nfs/dbraw/zinc/43/71/29/1072437129.db2.gz LBRZKSCYVOFYLU-JKSUJKDBSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000422295381 1072436730 /nfs/dbraw/zinc/43/67/30/1072436730.db2.gz NNGIXLKKKOWRPB-UHFFFAOYSA-N 2 1 395.548 -0.500 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302773 1072437588 /nfs/dbraw/zinc/43/75/88/1072437588.db2.gz WTTUVSFGLASQCA-DLBZAZTESA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302773 1072437582 /nfs/dbraw/zinc/43/75/82/1072437582.db2.gz WTTUVSFGLASQCA-DLBZAZTESA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302773 1072437577 /nfs/dbraw/zinc/43/75/77/1072437577.db2.gz WTTUVSFGLASQCA-DLBZAZTESA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302779 1072437890 /nfs/dbraw/zinc/43/78/90/1072437890.db2.gz WTTUVSFGLASQCA-IAGOWNOFSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302779 1072437886 /nfs/dbraw/zinc/43/78/86/1072437886.db2.gz WTTUVSFGLASQCA-IAGOWNOFSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302779 1072437882 /nfs/dbraw/zinc/43/78/82/1072437882.db2.gz WTTUVSFGLASQCA-IAGOWNOFSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302781 1072437848 /nfs/dbraw/zinc/43/78/48/1072437848.db2.gz WTTUVSFGLASQCA-IRXDYDNUSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302781 1072437844 /nfs/dbraw/zinc/43/78/44/1072437844.db2.gz WTTUVSFGLASQCA-IRXDYDNUSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302781 1072437841 /nfs/dbraw/zinc/43/78/41/1072437841.db2.gz WTTUVSFGLASQCA-IRXDYDNUSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302784 1072438993 /nfs/dbraw/zinc/43/89/93/1072438993.db2.gz WTTUVSFGLASQCA-SJORKVTESA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302784 1072438991 /nfs/dbraw/zinc/43/89/91/1072438991.db2.gz WTTUVSFGLASQCA-SJORKVTESA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302784 1072438989 /nfs/dbraw/zinc/43/89/89/1072438989.db2.gz WTTUVSFGLASQCA-SJORKVTESA-N 2 1 395.548 -0.014 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422304628 1072438762 /nfs/dbraw/zinc/43/87/62/1072438762.db2.gz YZNRYOQPRYHUKR-KRWDZBQOSA-N 2 1 397.564 -0.254 20 0 GBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422304630 1072438869 /nfs/dbraw/zinc/43/88/69/1072438869.db2.gz YZNRYOQPRYHUKR-QGZVFWFLSA-N 2 1 397.564 -0.254 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422376355 1072444751 /nfs/dbraw/zinc/44/47/51/1072444751.db2.gz LCPVSCMWHFYGBN-UHFFFAOYSA-N 2 1 397.564 -0.253 20 0 GBADMP C[C@H]1[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000422421003 1072447851 /nfs/dbraw/zinc/44/78/51/1072447851.db2.gz BYYSBLDQFHDBKP-DLBZAZTESA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000422421004 1072447843 /nfs/dbraw/zinc/44/78/43/1072447843.db2.gz BYYSBLDQFHDBKP-IAGOWNOFSA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@H]1[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000422421006 1072447801 /nfs/dbraw/zinc/44/78/01/1072447801.db2.gz BYYSBLDQFHDBKP-IRXDYDNUSA-N 2 1 395.548 -0.502 20 0 GBADMP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@H+]1C ZINC000422421008 1072447746 /nfs/dbraw/zinc/44/77/46/1072447746.db2.gz BYYSBLDQFHDBKP-SJORKVTESA-N 2 1 395.548 -0.502 20 0 GBADMP C[NH+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000422452573 1072451408 /nfs/dbraw/zinc/45/14/08/1072451408.db2.gz GOGSMCOUPDAOGP-KRWDZBQOSA-N 2 1 393.532 -0.258 20 0 GBADMP C[NH+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000422452573 1072451405 /nfs/dbraw/zinc/45/14/05/1072451405.db2.gz GOGSMCOUPDAOGP-KRWDZBQOSA-N 2 1 393.532 -0.258 20 0 GBADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000422452573 1072451402 /nfs/dbraw/zinc/45/14/02/1072451402.db2.gz GOGSMCOUPDAOGP-KRWDZBQOSA-N 2 1 393.532 -0.258 20 0 GBADMP C[NH+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000422452576 1072451429 /nfs/dbraw/zinc/45/14/29/1072451429.db2.gz GOGSMCOUPDAOGP-QGZVFWFLSA-N 2 1 393.532 -0.258 20 0 GBADMP C[NH+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000422452576 1072451425 /nfs/dbraw/zinc/45/14/25/1072451425.db2.gz GOGSMCOUPDAOGP-QGZVFWFLSA-N 2 1 393.532 -0.258 20 0 GBADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000422452576 1072451424 /nfs/dbraw/zinc/45/14/24/1072451424.db2.gz GOGSMCOUPDAOGP-QGZVFWFLSA-N 2 1 393.532 -0.258 20 0 GBADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000422459319 1072453961 /nfs/dbraw/zinc/45/39/61/1072453961.db2.gz YKQJGTDUAAFSCG-UHFFFAOYSA-N 2 1 393.532 -0.256 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422471426 1072452929 /nfs/dbraw/zinc/45/29/29/1072452929.db2.gz JJXBVONCNITEKA-KRWDZBQOSA-N 2 1 398.467 -0.285 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422471427 1072452942 /nfs/dbraw/zinc/45/29/42/1072452942.db2.gz JJXBVONCNITEKA-QGZVFWFLSA-N 2 1 398.467 -0.285 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422487716 1072457581 /nfs/dbraw/zinc/45/75/81/1072457581.db2.gz ISDHUEUMEDOBRL-INIZCTEOSA-N 2 1 381.521 -0.543 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422487716 1072457577 /nfs/dbraw/zinc/45/75/77/1072457577.db2.gz ISDHUEUMEDOBRL-INIZCTEOSA-N 2 1 381.521 -0.543 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422487717 1072457286 /nfs/dbraw/zinc/45/72/86/1072457286.db2.gz ISDHUEUMEDOBRL-MRXNPFEDSA-N 2 1 381.521 -0.543 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422487717 1072457279 /nfs/dbraw/zinc/45/72/79/1072457279.db2.gz ISDHUEUMEDOBRL-MRXNPFEDSA-N 2 1 381.521 -0.543 20 0 GBADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000422494038 1072455705 /nfs/dbraw/zinc/45/57/05/1072455705.db2.gz QRRNJIIXLCHOLW-KRWDZBQOSA-N 2 1 393.532 -0.399 20 0 GBADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000422494039 1072455766 /nfs/dbraw/zinc/45/57/66/1072455766.db2.gz QRRNJIIXLCHOLW-QGZVFWFLSA-N 2 1 393.532 -0.399 20 0 GBADMP COC(=O)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000422494550 1072454980 /nfs/dbraw/zinc/45/49/80/1072454980.db2.gz REWMDCUYZHDBAI-CVEARBPZSA-N 2 1 382.505 -0.070 20 0 GBADMP COC(=O)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000422494553 1072454894 /nfs/dbraw/zinc/45/48/94/1072454894.db2.gz REWMDCUYZHDBAI-HOTGVXAUSA-N 2 1 382.505 -0.070 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496310 1072455869 /nfs/dbraw/zinc/45/58/69/1072455869.db2.gz TVWJLIDCIDATRA-DLBZAZTESA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422496310 1072455865 /nfs/dbraw/zinc/45/58/65/1072455865.db2.gz TVWJLIDCIDATRA-DLBZAZTESA-N 2 1 393.532 -0.401 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000422496310 1072455862 /nfs/dbraw/zinc/45/58/62/1072455862.db2.gz TVWJLIDCIDATRA-DLBZAZTESA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496311 1072455851 /nfs/dbraw/zinc/45/58/51/1072455851.db2.gz TVWJLIDCIDATRA-IAGOWNOFSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422496311 1072455850 /nfs/dbraw/zinc/45/58/50/1072455850.db2.gz TVWJLIDCIDATRA-IAGOWNOFSA-N 2 1 393.532 -0.401 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000422496311 1072455847 /nfs/dbraw/zinc/45/58/47/1072455847.db2.gz TVWJLIDCIDATRA-IAGOWNOFSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496312 1072455966 /nfs/dbraw/zinc/45/59/66/1072455966.db2.gz TVWJLIDCIDATRA-IRXDYDNUSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422496312 1072455962 /nfs/dbraw/zinc/45/59/62/1072455962.db2.gz TVWJLIDCIDATRA-IRXDYDNUSA-N 2 1 393.532 -0.401 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000422496312 1072455958 /nfs/dbraw/zinc/45/59/58/1072455958.db2.gz TVWJLIDCIDATRA-IRXDYDNUSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496313 1072455398 /nfs/dbraw/zinc/45/53/98/1072455398.db2.gz TVWJLIDCIDATRA-SJORKVTESA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422496313 1072455393 /nfs/dbraw/zinc/45/53/93/1072455393.db2.gz TVWJLIDCIDATRA-SJORKVTESA-N 2 1 393.532 -0.401 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000422496313 1072455384 /nfs/dbraw/zinc/45/53/84/1072455384.db2.gz TVWJLIDCIDATRA-SJORKVTESA-N 2 1 393.532 -0.401 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496965 1072455738 /nfs/dbraw/zinc/45/57/38/1072455738.db2.gz UTPSXRFUSJKCHR-KRWDZBQOSA-N 2 1 395.548 -0.153 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422496966 1072455832 /nfs/dbraw/zinc/45/58/32/1072455832.db2.gz UTPSXRFUSJKCHR-QGZVFWFLSA-N 2 1 395.548 -0.153 20 0 GBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503186 1072458205 /nfs/dbraw/zinc/45/82/05/1072458205.db2.gz MIXIVYMHBMQPPU-UHFFFAOYSA-N 2 1 395.548 -0.548 20 0 GBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504242 1072457900 /nfs/dbraw/zinc/45/79/00/1072457900.db2.gz PTEURJWOEBQEIE-KRWDZBQOSA-N 2 1 395.548 -0.500 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504243 1072458165 /nfs/dbraw/zinc/45/81/65/1072458165.db2.gz PTEURJWOEBQEIE-QGZVFWFLSA-N 2 1 395.548 -0.500 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C(C)C ZINC000422506016 1072458850 /nfs/dbraw/zinc/45/88/50/1072458850.db2.gz VAGISOPZYXTUIH-UHFFFAOYSA-N 2 1 397.564 -0.254 20 0 GBADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000422507529 1072458894 /nfs/dbraw/zinc/45/88/94/1072458894.db2.gz ZKIKOGGSPJTYLL-UHFFFAOYSA-N 2 1 395.548 -0.547 20 0 GBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976573 1072483501 /nfs/dbraw/zinc/48/35/01/1072483501.db2.gz VIESNSLCBGNCBF-CHWSQXEVSA-N 2 1 379.427 -0.509 20 0 GBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976574 1072483603 /nfs/dbraw/zinc/48/36/03/1072483603.db2.gz VIESNSLCBGNCBF-OLZOCXBDSA-N 2 1 379.427 -0.509 20 0 GBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976575 1072483625 /nfs/dbraw/zinc/48/36/25/1072483625.db2.gz VIESNSLCBGNCBF-QWHCGFSZSA-N 2 1 379.427 -0.509 20 0 GBADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976576 1072483584 /nfs/dbraw/zinc/48/35/84/1072483584.db2.gz VIESNSLCBGNCBF-STQMWFEESA-N 2 1 379.427 -0.509 20 0 GBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423014101 1072486134 /nfs/dbraw/zinc/48/61/34/1072486134.db2.gz OFHBNHMWUDISAQ-INIZCTEOSA-N 2 1 377.493 -0.300 20 0 GBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423014102 1072485800 /nfs/dbraw/zinc/48/58/00/1072485800.db2.gz OFHBNHMWUDISAQ-MRXNPFEDSA-N 2 1 377.493 -0.300 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C[C@H]1[NH3+] ZINC000423019327 1072486803 /nfs/dbraw/zinc/48/68/03/1072486803.db2.gz VCKWJYPTABZTEE-SJLPKXTDSA-N 2 1 389.500 -0.062 20 0 GBADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423030378 1072488336 /nfs/dbraw/zinc/48/83/36/1072488336.db2.gz BROAAUWMLIUZOS-FQEVSTJZSA-N 2 1 399.539 -0.121 20 0 GBADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423030379 1072488431 /nfs/dbraw/zinc/48/84/31/1072488431.db2.gz BROAAUWMLIUZOS-HXUWFJFHSA-N 2 1 399.539 -0.121 20 0 GBADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423041705 1072490204 /nfs/dbraw/zinc/49/02/04/1072490204.db2.gz XTBBLJLNFXREBW-FQEVSTJZSA-N 2 1 399.539 -0.121 20 0 GBADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423041706 1072490253 /nfs/dbraw/zinc/49/02/53/1072490253.db2.gz XTBBLJLNFXREBW-HXUWFJFHSA-N 2 1 399.539 -0.121 20 0 GBADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423046200 1072490705 /nfs/dbraw/zinc/49/07/05/1072490705.db2.gz FCNPLGMGADXMFH-GOSISDBHSA-N 2 1 390.484 -0.084 20 0 GBADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423046200 1072490699 /nfs/dbraw/zinc/49/06/99/1072490699.db2.gz FCNPLGMGADXMFH-GOSISDBHSA-N 2 1 390.484 -0.084 20 0 GBADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423046201 1072490876 /nfs/dbraw/zinc/49/08/76/1072490876.db2.gz FCNPLGMGADXMFH-SFHVURJKSA-N 2 1 390.484 -0.084 20 0 GBADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423046201 1072490870 /nfs/dbraw/zinc/49/08/70/1072490870.db2.gz FCNPLGMGADXMFH-SFHVURJKSA-N 2 1 390.484 -0.084 20 0 GBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423061141 1072491734 /nfs/dbraw/zinc/49/17/34/1072491734.db2.gz JVZABFPDEZEGEI-INIZCTEOSA-N 2 1 381.521 -0.545 20 0 GBADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423061142 1072491776 /nfs/dbraw/zinc/49/17/76/1072491776.db2.gz JVZABFPDEZEGEI-MRXNPFEDSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423062522 1072491877 /nfs/dbraw/zinc/49/18/77/1072491877.db2.gz UIYPJLRBHNTDGL-CVEARBPZSA-N 2 1 379.505 -0.648 20 0 GBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423062523 1072491772 /nfs/dbraw/zinc/49/17/72/1072491772.db2.gz UIYPJLRBHNTDGL-HOTGVXAUSA-N 2 1 379.505 -0.648 20 0 GBADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423062524 1072492031 /nfs/dbraw/zinc/49/20/31/1072492031.db2.gz UIYPJLRBHNTDGL-HZPDHXFCSA-N 2 1 379.505 -0.648 20 0 GBADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423062525 1072491766 /nfs/dbraw/zinc/49/17/66/1072491766.db2.gz UIYPJLRBHNTDGL-JKSUJKDBSA-N 2 1 379.505 -0.648 20 0 GBADMP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423149351 1072500067 /nfs/dbraw/zinc/50/00/67/1072500067.db2.gz HJWZYRGATBNPMF-DLBZAZTESA-N 2 1 391.516 -0.504 20 0 GBADMP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423149352 1072500396 /nfs/dbraw/zinc/50/03/96/1072500396.db2.gz HJWZYRGATBNPMF-IAGOWNOFSA-N 2 1 391.516 -0.504 20 0 GBADMP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423149353 1072500122 /nfs/dbraw/zinc/50/01/22/1072500122.db2.gz HJWZYRGATBNPMF-IRXDYDNUSA-N 2 1 391.516 -0.504 20 0 GBADMP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423149354 1072500090 /nfs/dbraw/zinc/50/00/90/1072500090.db2.gz HJWZYRGATBNPMF-SJORKVTESA-N 2 1 391.516 -0.504 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000423179814 1072503150 /nfs/dbraw/zinc/50/31/50/1072503150.db2.gz AFKZKWYNKQJWHF-CYBMUJFWSA-N 2 1 396.410 -0.714 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC000423179815 1072503001 /nfs/dbraw/zinc/50/30/01/1072503001.db2.gz AFKZKWYNKQJWHF-ZDUSSCGKSA-N 2 1 396.410 -0.714 20 0 GBADMP O=C(C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423187333 1072503436 /nfs/dbraw/zinc/50/34/36/1072503436.db2.gz MMCSXAXTIFBWGC-OKILXGFUSA-N 2 1 392.422 -0.223 20 0 GBADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000423191460 1072503735 /nfs/dbraw/zinc/50/37/35/1072503735.db2.gz SZAMSNGOMUDJMQ-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000423191461 1072504063 /nfs/dbraw/zinc/50/40/63/1072504063.db2.gz SZAMSNGOMUDJMQ-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423191608 1072504353 /nfs/dbraw/zinc/50/43/53/1072504353.db2.gz TVMFVRWDMYXGLJ-CYBMUJFWSA-N 2 1 380.411 -0.080 20 0 GBADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423191611 1072503801 /nfs/dbraw/zinc/50/38/01/1072503801.db2.gz TVMFVRWDMYXGLJ-ZDUSSCGKSA-N 2 1 380.411 -0.080 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H]1[NH3+] ZINC000423192182 1072504163 /nfs/dbraw/zinc/50/41/63/1072504163.db2.gz UQADEFGKUZBGQD-CHWSQXEVSA-N 2 1 380.411 -0.095 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423205262 1072504929 /nfs/dbraw/zinc/50/49/29/1072504929.db2.gz FBTSXXHIBNVSKP-BBWFWOEESA-N 2 1 381.521 -0.811 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423205264 1072504847 /nfs/dbraw/zinc/50/48/47/1072504847.db2.gz FBTSXXHIBNVSKP-IXDOHACOSA-N 2 1 381.521 -0.811 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000423205784 1072502954 /nfs/dbraw/zinc/50/29/54/1072502954.db2.gz BLLWPAOTUMIDDM-INIZCTEOSA-N 2 1 393.532 -0.223 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000423205785 1072503106 /nfs/dbraw/zinc/50/31/06/1072503106.db2.gz BLLWPAOTUMIDDM-MRXNPFEDSA-N 2 1 393.532 -0.223 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423215903 1072505898 /nfs/dbraw/zinc/50/58/98/1072505898.db2.gz RBEUZNYUGBCVFL-FGTMMUONSA-N 2 1 395.548 -0.420 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423215916 1072505700 /nfs/dbraw/zinc/50/57/00/1072505700.db2.gz RBEUZNYUGBCVFL-KSZLIROESA-N 2 1 395.548 -0.420 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423232132 1072507118 /nfs/dbraw/zinc/50/71/18/1072507118.db2.gz HMZCWHZDJNSEKA-DOTOQJQBSA-N 2 1 392.475 -0.006 20 0 GBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234718 1072504688 /nfs/dbraw/zinc/50/46/88/1072504688.db2.gz FWYZURDUVIXPLE-CVEARBPZSA-N 2 1 379.505 -0.791 20 0 GBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234719 1072505834 /nfs/dbraw/zinc/50/58/34/1072505834.db2.gz FWYZURDUVIXPLE-HOTGVXAUSA-N 2 1 379.505 -0.791 20 0 GBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234720 1072506237 /nfs/dbraw/zinc/50/62/37/1072506237.db2.gz FWYZURDUVIXPLE-HZPDHXFCSA-N 2 1 379.505 -0.791 20 0 GBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234721 1072506190 /nfs/dbraw/zinc/50/61/90/1072506190.db2.gz FWYZURDUVIXPLE-JKSUJKDBSA-N 2 1 379.505 -0.791 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423242365 1072508792 /nfs/dbraw/zinc/50/87/92/1072508792.db2.gz VNAYTGPSIASBHV-DLBZAZTESA-N 2 1 392.475 -0.006 20 0 GBADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1)Cc1ccccc1 ZINC000423261580 1072512717 /nfs/dbraw/zinc/51/27/17/1072512717.db2.gz KFNVALKHKJTRAL-BGYRXZFFSA-N 2 1 399.539 -0.060 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423263003 1072507962 /nfs/dbraw/zinc/50/79/62/1072507962.db2.gz AESLDDSRCSAJCQ-FGTMMUONSA-N 2 1 377.533 -0.032 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423263004 1072507588 /nfs/dbraw/zinc/50/75/88/1072507588.db2.gz AESLDDSRCSAJCQ-KSZLIROESA-N 2 1 377.533 -0.032 20 0 GBADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423263808 1072996933 /nfs/dbraw/zinc/99/69/33/1072996933.db2.gz OZUMUXRMOKBLTO-UHFFFAOYSA-N 2 1 375.517 -0.060 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423265383 1072509042 /nfs/dbraw/zinc/50/90/42/1072509042.db2.gz CWWNKLZIGBONHW-FGTMMUONSA-N 2 1 377.533 -0.317 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423265384 1072508898 /nfs/dbraw/zinc/50/88/98/1072508898.db2.gz CWWNKLZIGBONHW-KZNAEPCWSA-N 2 1 377.533 -0.317 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423265386 1072508927 /nfs/dbraw/zinc/50/89/27/1072508927.db2.gz CWWNKLZIGBONHW-OKZBNKHCSA-N 2 1 377.533 -0.317 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423265388 1072508573 /nfs/dbraw/zinc/50/85/73/1072508573.db2.gz CWWNKLZIGBONHW-RCCFBDPRSA-N 2 1 377.533 -0.317 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423266498 1072509688 /nfs/dbraw/zinc/50/96/88/1072509688.db2.gz DBZMZOBJVSWSPV-CVEARBPZSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423266498 1072509677 /nfs/dbraw/zinc/50/96/77/1072509677.db2.gz DBZMZOBJVSWSPV-CVEARBPZSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423266499 1072509977 /nfs/dbraw/zinc/50/99/77/1072509977.db2.gz DBZMZOBJVSWSPV-HOTGVXAUSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423266499 1072509966 /nfs/dbraw/zinc/50/99/66/1072509966.db2.gz DBZMZOBJVSWSPV-HOTGVXAUSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423266500 1072509364 /nfs/dbraw/zinc/50/93/64/1072509364.db2.gz DBZMZOBJVSWSPV-HZPDHXFCSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423266500 1072509361 /nfs/dbraw/zinc/50/93/61/1072509361.db2.gz DBZMZOBJVSWSPV-HZPDHXFCSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423266501 1072509590 /nfs/dbraw/zinc/50/95/90/1072509590.db2.gz DBZMZOBJVSWSPV-JKSUJKDBSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423266501 1072509574 /nfs/dbraw/zinc/50/95/74/1072509574.db2.gz DBZMZOBJVSWSPV-JKSUJKDBSA-N 2 1 377.489 -0.896 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423266614 1072508372 /nfs/dbraw/zinc/50/83/72/1072508372.db2.gz DPFCVWBNEXPXHH-FGTMMUONSA-N 2 1 377.533 -0.317 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423266615 1072508972 /nfs/dbraw/zinc/50/89/72/1072508972.db2.gz DPFCVWBNEXPXHH-KZNAEPCWSA-N 2 1 377.533 -0.317 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423266616 1072508400 /nfs/dbraw/zinc/50/84/00/1072508400.db2.gz DPFCVWBNEXPXHH-OKZBNKHCSA-N 2 1 377.533 -0.317 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423266617 1072508421 /nfs/dbraw/zinc/50/84/21/1072508421.db2.gz DPFCVWBNEXPXHH-RCCFBDPRSA-N 2 1 377.533 -0.317 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423266632 1072508348 /nfs/dbraw/zinc/50/83/48/1072508348.db2.gz DQDWNLLZBNTEEW-FXAWDEMLSA-N 2 1 377.533 -0.173 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423266633 1072508530 /nfs/dbraw/zinc/50/85/30/1072508530.db2.gz DQDWNLLZBNTEEW-PXNSSMCTSA-N 2 1 377.533 -0.173 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423266634 1072508343 /nfs/dbraw/zinc/50/83/43/1072508343.db2.gz DQDWNLLZBNTEEW-XLIONFOSSA-N 2 1 377.533 -0.173 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423266635 1072508489 /nfs/dbraw/zinc/50/84/89/1072508489.db2.gz DQDWNLLZBNTEEW-YLJYHZDGSA-N 2 1 377.533 -0.173 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423267852 1072514133 /nfs/dbraw/zinc/51/41/33/1072514133.db2.gz FKWVALSPAJFIJZ-DOTOQJQBSA-N 2 1 391.516 -0.648 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000423267855 1072513586 /nfs/dbraw/zinc/51/35/86/1072513586.db2.gz FKWVALSPAJFIJZ-NVXWUHKLSA-N 2 1 391.516 -0.648 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423267857 1072513630 /nfs/dbraw/zinc/51/36/30/1072513630.db2.gz FKWVALSPAJFIJZ-RDJZCZTQSA-N 2 1 391.516 -0.648 20 0 GBADMP CN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000423267860 1072513214 /nfs/dbraw/zinc/51/32/14/1072513214.db2.gz FKWVALSPAJFIJZ-WBVHZDCISA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423277679 1072513766 /nfs/dbraw/zinc/51/37/66/1072513766.db2.gz PTDJRPUDDUAXBP-KSZLIROESA-N 2 1 377.533 -0.175 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423277680 1072513682 /nfs/dbraw/zinc/51/36/82/1072513682.db2.gz PTDJRPUDDUAXBP-KURKYZTESA-N 2 1 377.533 -0.175 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423277681 1072514112 /nfs/dbraw/zinc/51/41/12/1072514112.db2.gz PTDJRPUDDUAXBP-KZNAEPCWSA-N 2 1 377.533 -0.175 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423277682 1072513386 /nfs/dbraw/zinc/51/33/86/1072513386.db2.gz PTDJRPUDDUAXBP-RCCFBDPRSA-N 2 1 377.533 -0.175 20 0 GBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423302944 1072516176 /nfs/dbraw/zinc/51/61/76/1072516176.db2.gz ICXAIMMSBHJVQI-INIZCTEOSA-N 2 1 379.505 -0.647 20 0 GBADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423302945 1072516582 /nfs/dbraw/zinc/51/65/82/1072516582.db2.gz ICXAIMMSBHJVQI-MRXNPFEDSA-N 2 1 379.505 -0.647 20 0 GBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423355596 1072518342 /nfs/dbraw/zinc/51/83/42/1072518342.db2.gz IIWDPQPANDEQOJ-CVEARBPZSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423355597 1072518020 /nfs/dbraw/zinc/51/80/20/1072518020.db2.gz IIWDPQPANDEQOJ-HOTGVXAUSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423355598 1072518167 /nfs/dbraw/zinc/51/81/67/1072518167.db2.gz IIWDPQPANDEQOJ-HZPDHXFCSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423355599 1072517786 /nfs/dbraw/zinc/51/77/86/1072517786.db2.gz IIWDPQPANDEQOJ-JKSUJKDBSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423390370 1072520621 /nfs/dbraw/zinc/52/06/21/1072520621.db2.gz VVLAAZRWPLCDDI-DLBZAZTESA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423390370 1072520611 /nfs/dbraw/zinc/52/06/11/1072520611.db2.gz VVLAAZRWPLCDDI-DLBZAZTESA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423390371 1072521355 /nfs/dbraw/zinc/52/13/55/1072521355.db2.gz VVLAAZRWPLCDDI-IAGOWNOFSA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423390371 1072521344 /nfs/dbraw/zinc/52/13/44/1072521344.db2.gz VVLAAZRWPLCDDI-IAGOWNOFSA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423390372 1072521587 /nfs/dbraw/zinc/52/15/87/1072521587.db2.gz VVLAAZRWPLCDDI-IRXDYDNUSA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423390372 1072521582 /nfs/dbraw/zinc/52/15/82/1072521582.db2.gz VVLAAZRWPLCDDI-IRXDYDNUSA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000423390373 1072521239 /nfs/dbraw/zinc/52/12/39/1072521239.db2.gz VVLAAZRWPLCDDI-SJORKVTESA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000423390373 1072521222 /nfs/dbraw/zinc/52/12/22/1072521222.db2.gz VVLAAZRWPLCDDI-SJORKVTESA-N 2 1 393.532 -0.545 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC000423393022 1072521506 /nfs/dbraw/zinc/52/15/06/1072521506.db2.gz YAVISLGSBAMATB-CVEARBPZSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC000423393022 1072521501 /nfs/dbraw/zinc/52/15/01/1072521501.db2.gz YAVISLGSBAMATB-CVEARBPZSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC000423393023 1072520999 /nfs/dbraw/zinc/52/09/99/1072520999.db2.gz YAVISLGSBAMATB-HOTGVXAUSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC000423393023 1072520994 /nfs/dbraw/zinc/52/09/94/1072520994.db2.gz YAVISLGSBAMATB-HOTGVXAUSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC000423393024 1072520744 /nfs/dbraw/zinc/52/07/44/1072520744.db2.gz YAVISLGSBAMATB-HZPDHXFCSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC000423393024 1072520732 /nfs/dbraw/zinc/52/07/32/1072520732.db2.gz YAVISLGSBAMATB-HZPDHXFCSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@H+]1C ZINC000423393025 1072521477 /nfs/dbraw/zinc/52/14/77/1072521477.db2.gz YAVISLGSBAMATB-JKSUJKDBSA-N 2 1 377.493 -0.301 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC[N@@H+]1C ZINC000423393025 1072521467 /nfs/dbraw/zinc/52/14/67/1072521467.db2.gz YAVISLGSBAMATB-JKSUJKDBSA-N 2 1 377.493 -0.301 20 0 GBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423394943 1072520786 /nfs/dbraw/zinc/52/07/86/1072520786.db2.gz RNKYIXIGINBRIY-HDICACEKSA-N 2 1 385.512 -0.055 20 0 GBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423395062 1072521572 /nfs/dbraw/zinc/52/15/72/1072521572.db2.gz RPSFCELJVWAKIG-GOSISDBHSA-N 2 1 389.500 -0.547 20 0 GBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423395079 1072521542 /nfs/dbraw/zinc/52/15/42/1072521542.db2.gz RPSFCELJVWAKIG-SFHVURJKSA-N 2 1 389.500 -0.547 20 0 GBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423398691 1072521032 /nfs/dbraw/zinc/52/10/32/1072521032.db2.gz UCTYQCJXOWWMLW-DLBZAZTESA-N 2 1 393.532 -0.258 20 0 GBADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423398691 1072521025 /nfs/dbraw/zinc/52/10/25/1072521025.db2.gz UCTYQCJXOWWMLW-DLBZAZTESA-N 2 1 393.532 -0.258 20 0 GBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423398692 1072520707 /nfs/dbraw/zinc/52/07/07/1072520707.db2.gz UCTYQCJXOWWMLW-IAGOWNOFSA-N 2 1 393.532 -0.258 20 0 GBADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423398692 1072520697 /nfs/dbraw/zinc/52/06/97/1072520697.db2.gz UCTYQCJXOWWMLW-IAGOWNOFSA-N 2 1 393.532 -0.258 20 0 GBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423398693 1072520955 /nfs/dbraw/zinc/52/09/55/1072520955.db2.gz UCTYQCJXOWWMLW-IRXDYDNUSA-N 2 1 393.532 -0.258 20 0 GBADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423398693 1072520944 /nfs/dbraw/zinc/52/09/44/1072520944.db2.gz UCTYQCJXOWWMLW-IRXDYDNUSA-N 2 1 393.532 -0.258 20 0 GBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423398694 1072521202 /nfs/dbraw/zinc/52/12/02/1072521202.db2.gz UCTYQCJXOWWMLW-SJORKVTESA-N 2 1 393.532 -0.258 20 0 GBADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423398694 1072521185 /nfs/dbraw/zinc/52/11/85/1072521185.db2.gz UCTYQCJXOWWMLW-SJORKVTESA-N 2 1 393.532 -0.258 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@@H]1C ZINC000423403061 1072522387 /nfs/dbraw/zinc/52/23/87/1072522387.db2.gz XAWWICVJJDIPIG-DZKIICNBSA-N 2 1 377.493 -0.159 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@@H]1C ZINC000423403061 1072522379 /nfs/dbraw/zinc/52/23/79/1072522379.db2.gz XAWWICVJJDIPIG-DZKIICNBSA-N 2 1 377.493 -0.159 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@H]1C ZINC000423403074 1072522043 /nfs/dbraw/zinc/52/20/43/1072522043.db2.gz XAWWICVJJDIPIG-IJEWVQPXSA-N 2 1 377.493 -0.159 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@H]1C ZINC000423403074 1072522037 /nfs/dbraw/zinc/52/20/37/1072522037.db2.gz XAWWICVJJDIPIG-IJEWVQPXSA-N 2 1 377.493 -0.159 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@@H]1C ZINC000423403077 1072522115 /nfs/dbraw/zinc/52/21/15/1072522115.db2.gz XAWWICVJJDIPIG-OFQRWUPVSA-N 2 1 377.493 -0.159 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@@H]1C ZINC000423403077 1072522109 /nfs/dbraw/zinc/52/21/09/1072522109.db2.gz XAWWICVJJDIPIG-OFQRWUPVSA-N 2 1 377.493 -0.159 20 0 GBADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@H]1C ZINC000423403079 1072523240 /nfs/dbraw/zinc/52/32/40/1072523240.db2.gz XAWWICVJJDIPIG-YCPHGPKFSA-N 2 1 377.493 -0.159 20 0 GBADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@H]1C ZINC000423403079 1072523232 /nfs/dbraw/zinc/52/32/32/1072523232.db2.gz XAWWICVJJDIPIG-YCPHGPKFSA-N 2 1 377.493 -0.159 20 0 GBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423403322 1072521961 /nfs/dbraw/zinc/52/19/61/1072521961.db2.gz XJCKSGBNPSOKHA-CVEARBPZSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423403323 1072522480 /nfs/dbraw/zinc/52/24/80/1072522480.db2.gz XJCKSGBNPSOKHA-HOTGVXAUSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423403324 1072521969 /nfs/dbraw/zinc/52/19/69/1072521969.db2.gz XJCKSGBNPSOKHA-HZPDHXFCSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423403325 1072522302 /nfs/dbraw/zinc/52/23/02/1072522302.db2.gz XJCKSGBNPSOKHA-JKSUJKDBSA-N 2 1 381.521 -0.367 20 0 GBADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423414498 1072523121 /nfs/dbraw/zinc/52/31/21/1072523121.db2.gz NBHSMMJWVCJGLN-KRWDZBQOSA-N 2 1 395.548 -0.010 20 0 GBADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423414504 1072522834 /nfs/dbraw/zinc/52/28/34/1072522834.db2.gz NBHSMMJWVCJGLN-QGZVFWFLSA-N 2 1 395.548 -0.010 20 0 GBADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423416518 1072522984 /nfs/dbraw/zinc/52/29/84/1072522984.db2.gz QTYDJWNVXMEHDV-KRWDZBQOSA-N 2 1 395.548 -0.010 20 0 GBADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423416520 1072523388 /nfs/dbraw/zinc/52/33/88/1072523388.db2.gz QTYDJWNVXMEHDV-QGZVFWFLSA-N 2 1 395.548 -0.010 20 0 GBADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423422475 1072522348 /nfs/dbraw/zinc/52/23/48/1072522348.db2.gz CUCSINPVQXFSPH-KRWDZBQOSA-N 2 1 393.532 -0.256 20 0 GBADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423422482 1072522002 /nfs/dbraw/zinc/52/20/02/1072522002.db2.gz CUCSINPVQXFSPH-QGZVFWFLSA-N 2 1 393.532 -0.256 20 0 GBADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000423423622 1072522275 /nfs/dbraw/zinc/52/22/75/1072522275.db2.gz ZXLOGCOSJKLBCZ-KRWDZBQOSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000423423626 1072521937 /nfs/dbraw/zinc/52/19/37/1072521937.db2.gz ZXLOGCOSJKLBCZ-QGZVFWFLSA-N 2 1 395.548 -0.014 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000423428558 1072524060 /nfs/dbraw/zinc/52/40/60/1072524060.db2.gz KITQRMXWBBXTDW-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000423428560 1072524104 /nfs/dbraw/zinc/52/41/04/1072524104.db2.gz KITQRMXWBBXTDW-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423429997 1072524206 /nfs/dbraw/zinc/52/42/06/1072524206.db2.gz MIHDWVVJNQEERC-KRWDZBQOSA-N 2 1 393.532 -0.543 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423429998 1072524298 /nfs/dbraw/zinc/52/42/98/1072524298.db2.gz MIHDWVVJNQEERC-QGZVFWFLSA-N 2 1 393.532 -0.543 20 0 GBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431733 1072525283 /nfs/dbraw/zinc/52/52/83/1072525283.db2.gz NVYOPDUHAULJQL-DLBZAZTESA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431733 1072525277 /nfs/dbraw/zinc/52/52/77/1072525277.db2.gz NVYOPDUHAULJQL-DLBZAZTESA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431734 1072525126 /nfs/dbraw/zinc/52/51/26/1072525126.db2.gz NVYOPDUHAULJQL-IAGOWNOFSA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431734 1072525117 /nfs/dbraw/zinc/52/51/17/1072525117.db2.gz NVYOPDUHAULJQL-IAGOWNOFSA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431735 1072525025 /nfs/dbraw/zinc/52/50/25/1072525025.db2.gz NVYOPDUHAULJQL-IRXDYDNUSA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431735 1072525016 /nfs/dbraw/zinc/52/50/16/1072525016.db2.gz NVYOPDUHAULJQL-IRXDYDNUSA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431736 1072524620 /nfs/dbraw/zinc/52/46/20/1072524620.db2.gz NVYOPDUHAULJQL-SJORKVTESA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000423431736 1072524615 /nfs/dbraw/zinc/52/46/15/1072524615.db2.gz NVYOPDUHAULJQL-SJORKVTESA-N 2 1 393.532 -0.401 20 0 GBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423434739 1072525250 /nfs/dbraw/zinc/52/52/50/1072525250.db2.gz DLJSGWKIKKZEMW-KRWDZBQOSA-N 2 1 395.548 -0.691 20 0 GBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423434741 1072525205 /nfs/dbraw/zinc/52/52/05/1072525205.db2.gz DLJSGWKIKKZEMW-QGZVFWFLSA-N 2 1 395.548 -0.691 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423436853 1072524647 /nfs/dbraw/zinc/52/46/47/1072524647.db2.gz SYHYFNOAJKTDKV-DLBZAZTESA-N 2 1 393.532 -0.543 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423436854 1072524672 /nfs/dbraw/zinc/52/46/72/1072524672.db2.gz SYHYFNOAJKTDKV-IAGOWNOFSA-N 2 1 393.532 -0.543 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423436855 1072524688 /nfs/dbraw/zinc/52/46/88/1072524688.db2.gz SYHYFNOAJKTDKV-IRXDYDNUSA-N 2 1 393.532 -0.543 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423436856 1072525146 /nfs/dbraw/zinc/52/51/46/1072525146.db2.gz SYHYFNOAJKTDKV-SJORKVTESA-N 2 1 393.532 -0.543 20 0 GBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423439748 1072525051 /nfs/dbraw/zinc/52/50/51/1072525051.db2.gz IAXBKLFAKKPSJG-KRWDZBQOSA-N 2 1 384.521 -0.231 20 0 GBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423439749 1072524815 /nfs/dbraw/zinc/52/48/15/1072524815.db2.gz IAXBKLFAKKPSJG-QGZVFWFLSA-N 2 1 384.521 -0.231 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000423457274 1072525657 /nfs/dbraw/zinc/52/56/57/1072525657.db2.gz IEQVWFBLGLLTSZ-BVIKNXMNSA-N 2 1 396.532 -0.091 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000423457277 1072526123 /nfs/dbraw/zinc/52/61/23/1072526123.db2.gz IEQVWFBLGLLTSZ-CUSZFKRNSA-N 2 1 396.532 -0.091 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000423457277 1072526111 /nfs/dbraw/zinc/52/61/11/1072526111.db2.gz IEQVWFBLGLLTSZ-CUSZFKRNSA-N 2 1 396.532 -0.091 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000423457278 1072526089 /nfs/dbraw/zinc/52/60/89/1072526089.db2.gz IEQVWFBLGLLTSZ-LHHMISFZSA-N 2 1 396.532 -0.091 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000423457281 1072525592 /nfs/dbraw/zinc/52/55/92/1072525592.db2.gz IEQVWFBLGLLTSZ-LISAXSMJSA-N 2 1 396.532 -0.091 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000423457281 1072525582 /nfs/dbraw/zinc/52/55/82/1072525582.db2.gz IEQVWFBLGLLTSZ-LISAXSMJSA-N 2 1 396.532 -0.091 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)[NH2+]1 ZINC000423474835 1072526823 /nfs/dbraw/zinc/52/68/23/1072526823.db2.gz HSDKLHFWVGHYNR-FVGDGBDSSA-N 2 1 377.533 -0.035 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)[NH2+]1 ZINC000423474836 1072526746 /nfs/dbraw/zinc/52/67/46/1072526746.db2.gz HSDKLHFWVGHYNR-SZNINPNASA-N 2 1 377.533 -0.035 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)[NH2+]1 ZINC000423474837 1072526707 /nfs/dbraw/zinc/52/67/07/1072526707.db2.gz HSDKLHFWVGHYNR-VQVIJEGRSA-N 2 1 377.533 -0.035 20 0 GBADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000423484404 1072528367 /nfs/dbraw/zinc/52/83/67/1072528367.db2.gz QZJXUNCPTVFZCD-HRBLRVMOSA-N 2 1 377.533 -0.034 20 0 GBADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000423484405 1072529205 /nfs/dbraw/zinc/52/92/05/1072529205.db2.gz QZJXUNCPTVFZCD-XNHLSEOASA-N 2 1 377.533 -0.034 20 0 GBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000423485564 1072528469 /nfs/dbraw/zinc/52/84/69/1072528469.db2.gz AWYAMBYQJMYZSO-CVEARBPZSA-N 2 1 381.521 -0.417 20 0 GBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000423485565 1072528999 /nfs/dbraw/zinc/52/89/99/1072528999.db2.gz AWYAMBYQJMYZSO-HOTGVXAUSA-N 2 1 381.521 -0.417 20 0 GBADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000423486066 1072528767 /nfs/dbraw/zinc/52/87/67/1072528767.db2.gz AWYAMBYQJMYZSO-HZPDHXFCSA-N 2 1 381.521 -0.417 20 0 GBADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000423486067 1072528943 /nfs/dbraw/zinc/52/89/43/1072528943.db2.gz AWYAMBYQJMYZSO-JKSUJKDBSA-N 2 1 381.521 -0.417 20 0 GBADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423497580 1072529745 /nfs/dbraw/zinc/52/97/45/1072529745.db2.gz GZSIDHKGOPVZCQ-JZXOWHBKSA-N 2 1 396.532 -0.090 20 0 GBADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423497582 1072529994 /nfs/dbraw/zinc/52/99/94/1072529994.db2.gz GZSIDHKGOPVZCQ-SOLBZPMBSA-N 2 1 396.532 -0.090 20 0 GBADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000423509835 1072527487 /nfs/dbraw/zinc/52/74/87/1072527487.db2.gz JLQQNGAIIDGLAS-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000423509836 1072527438 /nfs/dbraw/zinc/52/74/38/1072527438.db2.gz JLQQNGAIIDGLAS-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000423511210 1072529665 /nfs/dbraw/zinc/52/96/65/1072529665.db2.gz KBAVHVZFICCJEH-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000423511211 1072529500 /nfs/dbraw/zinc/52/95/00/1072529500.db2.gz KBAVHVZFICCJEH-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000423514691 1072529697 /nfs/dbraw/zinc/52/96/97/1072529697.db2.gz MJCSMVVMEUJQGP-SPYBWZPUSA-N 2 1 379.505 -0.805 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000423514692 1072529942 /nfs/dbraw/zinc/52/99/42/1072529942.db2.gz MJCSMVVMEUJQGP-ZRGWGRIASA-N 2 1 379.505 -0.805 20 0 GBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423522393 1072530831 /nfs/dbraw/zinc/53/08/31/1072530831.db2.gz LYFAWQONEOTLLA-HNNXBMFYSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423522395 1072530616 /nfs/dbraw/zinc/53/06/16/1072530616.db2.gz LYFAWQONEOTLLA-OAHLLOKOSA-N 2 1 379.505 -0.791 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423522812 1072531096 /nfs/dbraw/zinc/53/10/96/1072531096.db2.gz HQAGVODDLNKEAM-MSOLQXFVSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423522812 1072531088 /nfs/dbraw/zinc/53/10/88/1072531088.db2.gz HQAGVODDLNKEAM-MSOLQXFVSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423522813 1072531158 /nfs/dbraw/zinc/53/11/58/1072531158.db2.gz HQAGVODDLNKEAM-QZTJIDSGSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423522813 1072531148 /nfs/dbraw/zinc/53/11/48/1072531148.db2.gz HQAGVODDLNKEAM-QZTJIDSGSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423522814 1072531275 /nfs/dbraw/zinc/53/12/75/1072531275.db2.gz HQAGVODDLNKEAM-ROUUACIJSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423522814 1072531263 /nfs/dbraw/zinc/53/12/63/1072531263.db2.gz HQAGVODDLNKEAM-ROUUACIJSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423522815 1072531072 /nfs/dbraw/zinc/53/10/72/1072531072.db2.gz HQAGVODDLNKEAM-ZWKOTPCHSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423522815 1072531064 /nfs/dbraw/zinc/53/10/64/1072531064.db2.gz HQAGVODDLNKEAM-ZWKOTPCHSA-N 2 1 395.548 -0.548 20 0 GBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423523984 1072531380 /nfs/dbraw/zinc/53/13/80/1072531380.db2.gz WPKIVKLSBMTRDM-INIZCTEOSA-N 2 1 381.521 -0.401 20 0 GBADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423523985 1072530960 /nfs/dbraw/zinc/53/09/60/1072530960.db2.gz WPKIVKLSBMTRDM-MRXNPFEDSA-N 2 1 381.521 -0.401 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423524244 1072530877 /nfs/dbraw/zinc/53/08/77/1072530877.db2.gz SXCKEUZHKCUXLQ-INIZCTEOSA-N 2 1 391.516 -0.647 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423524251 1072530973 /nfs/dbraw/zinc/53/09/73/1072530973.db2.gz SXCKEUZHKCUXLQ-MRXNPFEDSA-N 2 1 391.516 -0.647 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CCOC ZINC000423532593 1072529650 /nfs/dbraw/zinc/52/96/50/1072529650.db2.gz VKRQAMSZINSDCV-MSOLQXFVSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CCOC ZINC000423532593 1072529638 /nfs/dbraw/zinc/52/96/38/1072529638.db2.gz VKRQAMSZINSDCV-MSOLQXFVSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CCOC ZINC000423532594 1072529904 /nfs/dbraw/zinc/52/99/04/1072529904.db2.gz VKRQAMSZINSDCV-QZTJIDSGSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CCOC ZINC000423532594 1072529896 /nfs/dbraw/zinc/52/98/96/1072529896.db2.gz VKRQAMSZINSDCV-QZTJIDSGSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CCOC ZINC000423532595 1072529434 /nfs/dbraw/zinc/52/94/34/1072529434.db2.gz VKRQAMSZINSDCV-ROUUACIJSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CCOC ZINC000423532595 1072529425 /nfs/dbraw/zinc/52/94/25/1072529425.db2.gz VKRQAMSZINSDCV-ROUUACIJSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CCOC ZINC000423532596 1072530152 /nfs/dbraw/zinc/53/01/52/1072530152.db2.gz VKRQAMSZINSDCV-ZWKOTPCHSA-N 2 1 395.548 -0.548 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CCOC ZINC000423532596 1072530138 /nfs/dbraw/zinc/53/01/38/1072530138.db2.gz VKRQAMSZINSDCV-ZWKOTPCHSA-N 2 1 395.548 -0.548 20 0 GBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423548069 1072535662 /nfs/dbraw/zinc/53/56/62/1072535662.db2.gz GPAZSTYTOXNNLG-OAGGEKHMSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423548070 1072535688 /nfs/dbraw/zinc/53/56/88/1072535688.db2.gz GPAZSTYTOXNNLG-XHSDSOJGSA-N 2 1 379.505 -0.615 20 0 GBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423558919 1072532161 /nfs/dbraw/zinc/53/21/61/1072532161.db2.gz DPCAKLIDAMNYBW-FXAWDEMLSA-N 2 1 390.484 -0.732 20 0 GBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423558921 1072531830 /nfs/dbraw/zinc/53/18/30/1072531830.db2.gz DPCAKLIDAMNYBW-PXNSSMCTSA-N 2 1 390.484 -0.732 20 0 GBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423558923 1072532035 /nfs/dbraw/zinc/53/20/35/1072532035.db2.gz DPCAKLIDAMNYBW-XLIONFOSSA-N 2 1 390.484 -0.732 20 0 GBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423558924 1072531881 /nfs/dbraw/zinc/53/18/81/1072531881.db2.gz DPCAKLIDAMNYBW-YLJYHZDGSA-N 2 1 390.484 -0.732 20 0 GBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423565303 1072536713 /nfs/dbraw/zinc/53/67/13/1072536713.db2.gz BBRBHMMUDXVVIN-HNNXBMFYSA-N 2 1 379.505 -0.648 20 0 GBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423565304 1072536904 /nfs/dbraw/zinc/53/69/04/1072536904.db2.gz BBRBHMMUDXVVIN-OAHLLOKOSA-N 2 1 379.505 -0.648 20 0 GBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423570132 1072538316 /nfs/dbraw/zinc/53/83/16/1072538316.db2.gz NFZZJVXJEZBMRA-LVCYWYKZSA-N 2 1 386.496 -0.240 20 0 GBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423570135 1072538490 /nfs/dbraw/zinc/53/84/90/1072538490.db2.gz NFZZJVXJEZBMRA-UEXGIBASSA-N 2 1 386.496 -0.240 20 0 GBADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000423598749 1072548365 /nfs/dbraw/zinc/54/83/65/1072548365.db2.gz WXMAZHIIZLUDBG-KTGAGVNESA-N 2 1 377.533 -0.034 20 0 GBADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000423598750 1072548693 /nfs/dbraw/zinc/54/86/93/1072548693.db2.gz WXMAZHIIZLUDBG-SOABOVLPSA-N 2 1 377.533 -0.034 20 0 GBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423601931 1072548814 /nfs/dbraw/zinc/54/88/14/1072548814.db2.gz FBRYOXSAKIZMBF-MOPGFXCFSA-N 2 1 385.512 -0.035 20 0 GBADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423601934 1072548477 /nfs/dbraw/zinc/54/84/77/1072548477.db2.gz FBRYOXSAKIZMBF-RTBURBONSA-N 2 1 385.512 -0.035 20 0 GBADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423603842 1072542921 /nfs/dbraw/zinc/54/29/21/1072542921.db2.gz FNHSESPJJNRSKD-UHFFFAOYSA-N 2 1 380.411 -0.079 20 0 GBADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@@H](C)O1 ZINC000423612345 1072546645 /nfs/dbraw/zinc/54/66/45/1072546645.db2.gz TYPMBLRDFBJIKC-BRWVUGGUSA-N 2 1 396.532 -0.077 20 0 GBADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000423612348 1072546688 /nfs/dbraw/zinc/54/66/88/1072546688.db2.gz TYPMBLRDFBJIKC-GVDBMIGSSA-N 2 1 396.532 -0.077 20 0 GBADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423612350 1072545942 /nfs/dbraw/zinc/54/59/42/1072545942.db2.gz TYPMBLRDFBJIKC-YESZJQIVSA-N 2 1 396.532 -0.077 20 0 GBADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423612350 1072545934 /nfs/dbraw/zinc/54/59/34/1072545934.db2.gz TYPMBLRDFBJIKC-YESZJQIVSA-N 2 1 396.532 -0.077 20 0 GBADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000423612354 1072546065 /nfs/dbraw/zinc/54/60/65/1072546065.db2.gz TYPMBLRDFBJIKC-ZACQAIPSSA-N 2 1 396.532 -0.077 20 0 GBADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000423612354 1072546060 /nfs/dbraw/zinc/54/60/60/1072546060.db2.gz TYPMBLRDFBJIKC-ZACQAIPSSA-N 2 1 396.532 -0.077 20 0 GBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423625143 1072552989 /nfs/dbraw/zinc/55/29/89/1072552989.db2.gz FBRYOXSAKIZMBF-OALUTQOASA-N 2 1 385.512 -0.035 20 0 GBADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423625144 1072552917 /nfs/dbraw/zinc/55/29/17/1072552917.db2.gz FBRYOXSAKIZMBF-RBUKOAKNSA-N 2 1 385.512 -0.035 20 0 GBADMP O=C(C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000423627290 1072552385 /nfs/dbraw/zinc/55/23/85/1072552385.db2.gz UHNVXJJJYGYDPM-IBGZPJMESA-N 2 1 385.512 -0.163 20 0 GBADMP O=C(C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000423627301 1072552692 /nfs/dbraw/zinc/55/26/92/1072552692.db2.gz UHNVXJJJYGYDPM-LJQANCHMSA-N 2 1 385.512 -0.163 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423645478 1072551964 /nfs/dbraw/zinc/55/19/64/1072551964.db2.gz YRLHQPXAWBNPDK-CVEARBPZSA-N 2 1 393.532 -0.402 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423645479 1072552000 /nfs/dbraw/zinc/55/20/00/1072552000.db2.gz YRLHQPXAWBNPDK-HOTGVXAUSA-N 2 1 393.532 -0.402 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[C@H](C)C[NH2+]1 ZINC000423645480 1072551882 /nfs/dbraw/zinc/55/18/82/1072551882.db2.gz YRLHQPXAWBNPDK-HZPDHXFCSA-N 2 1 393.532 -0.402 20 0 GBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000423645481 1072551357 /nfs/dbraw/zinc/55/13/57/1072551357.db2.gz YRLHQPXAWBNPDK-JKSUJKDBSA-N 2 1 393.532 -0.402 20 0 GBADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423646166 1072551811 /nfs/dbraw/zinc/55/18/11/1072551811.db2.gz TYPMBLRDFBJIKC-ULQDDVLXSA-N 2 1 396.532 -0.077 20 0 GBADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423652371 1072554212 /nfs/dbraw/zinc/55/42/12/1072554212.db2.gz TYPMBLRDFBJIKC-IKGGRYGDSA-N 2 1 396.532 -0.077 20 0 GBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423655364 1072554675 /nfs/dbraw/zinc/55/46/75/1072554675.db2.gz BIHBTKVCHYFAQF-INIZCTEOSA-N 2 1 381.521 -0.367 20 0 GBADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423655366 1072554842 /nfs/dbraw/zinc/55/48/42/1072554842.db2.gz BIHBTKVCHYFAQF-MRXNPFEDSA-N 2 1 381.521 -0.367 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659005 1072555809 /nfs/dbraw/zinc/55/58/09/1072555809.db2.gz HHSUGCNZWPUVGE-CVEARBPZSA-N 2 1 379.505 -0.648 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423659007 1072555784 /nfs/dbraw/zinc/55/57/84/1072555784.db2.gz HHSUGCNZWPUVGE-HOTGVXAUSA-N 2 1 379.505 -0.648 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659009 1072555553 /nfs/dbraw/zinc/55/55/53/1072555553.db2.gz HHSUGCNZWPUVGE-HZPDHXFCSA-N 2 1 379.505 -0.648 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423659013 1072555930 /nfs/dbraw/zinc/55/59/30/1072555930.db2.gz HHSUGCNZWPUVGE-JKSUJKDBSA-N 2 1 379.505 -0.648 20 0 GBADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000423659133 1072554710 /nfs/dbraw/zinc/55/47/10/1072554710.db2.gz YPNKUHMVPDBXDE-IIQAOJFUSA-N 2 1 377.533 -0.035 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423659134 1072555030 /nfs/dbraw/zinc/55/50/30/1072555030.db2.gz YPNKUHMVPDBXDE-SZNINPNASA-N 2 1 377.533 -0.035 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@H](C)C[NH2+]1 ZINC000423659135 1072554800 /nfs/dbraw/zinc/55/48/00/1072554800.db2.gz YPNKUHMVPDBXDE-VQVIJEGRSA-N 2 1 377.533 -0.035 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423659136 1072555956 /nfs/dbraw/zinc/55/59/56/1072555956.db2.gz YPNKUHMVPDBXDE-WXCOAYGQSA-N 2 1 377.533 -0.035 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])CC[C@H]21 ZINC000423660540 1072556401 /nfs/dbraw/zinc/55/64/01/1072556401.db2.gz GFQBJMPGVSVEOC-BRWVUGGUSA-N 2 1 393.532 -0.225 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])CC[C@@H]21 ZINC000423660541 1072556489 /nfs/dbraw/zinc/55/64/89/1072556489.db2.gz GFQBJMPGVSVEOC-IKGGRYGDSA-N 2 1 393.532 -0.225 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])CC[C@H]21 ZINC000423660542 1072556465 /nfs/dbraw/zinc/55/64/65/1072556465.db2.gz GFQBJMPGVSVEOC-IXDOHACOSA-N 2 1 393.532 -0.225 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])CC[C@@H]21 ZINC000423660543 1072556682 /nfs/dbraw/zinc/55/66/82/1072556682.db2.gz GFQBJMPGVSVEOC-ZACQAIPSSA-N 2 1 393.532 -0.225 20 0 GBADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@@H]1CC ZINC000423664158 1072557208 /nfs/dbraw/zinc/55/72/08/1072557208.db2.gz GLTJTBLXNNLNOB-BBWFWOEESA-N 2 1 384.521 -0.090 20 0 GBADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@@H]1CC ZINC000423664158 1072557202 /nfs/dbraw/zinc/55/72/02/1072557202.db2.gz GLTJTBLXNNLNOB-BBWFWOEESA-N 2 1 384.521 -0.090 20 0 GBADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@H]1CC ZINC000423664163 1072557572 /nfs/dbraw/zinc/55/75/72/1072557572.db2.gz GLTJTBLXNNLNOB-IKGGRYGDSA-N 2 1 384.521 -0.090 20 0 GBADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@H]1CC ZINC000423664163 1072557567 /nfs/dbraw/zinc/55/75/67/1072557567.db2.gz GLTJTBLXNNLNOB-IKGGRYGDSA-N 2 1 384.521 -0.090 20 0 GBADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@@H]1CC ZINC000423664167 1072557659 /nfs/dbraw/zinc/55/76/59/1072557659.db2.gz GLTJTBLXNNLNOB-ULQDDVLXSA-N 2 1 384.521 -0.090 20 0 GBADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C[C@@H]1CC ZINC000423664167 1072557651 /nfs/dbraw/zinc/55/76/51/1072557651.db2.gz GLTJTBLXNNLNOB-ULQDDVLXSA-N 2 1 384.521 -0.090 20 0 GBADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@H]1CC ZINC000423664173 1072557488 /nfs/dbraw/zinc/55/74/88/1072557488.db2.gz GLTJTBLXNNLNOB-ZACQAIPSSA-N 2 1 384.521 -0.090 20 0 GBADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C[C@H]1CC ZINC000423664173 1072557486 /nfs/dbraw/zinc/55/74/86/1072557486.db2.gz GLTJTBLXNNLNOB-ZACQAIPSSA-N 2 1 384.521 -0.090 20 0 GBADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[C@H](C)O1 ZINC000423665041 1072557369 /nfs/dbraw/zinc/55/73/69/1072557369.db2.gz GAOHBOBHZOLURU-MVJTYMMSSA-N 2 1 396.532 -0.485 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423666172 1072558251 /nfs/dbraw/zinc/55/82/51/1072558251.db2.gz JTNVFMRVPPFPCN-CVEARBPZSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423666173 1072558556 /nfs/dbraw/zinc/55/85/56/1072558556.db2.gz JTNVFMRVPPFPCN-HOTGVXAUSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423666176 1072558425 /nfs/dbraw/zinc/55/84/25/1072558425.db2.gz JTNVFMRVPPFPCN-HZPDHXFCSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423666179 1072558210 /nfs/dbraw/zinc/55/82/10/1072558210.db2.gz JTNVFMRVPPFPCN-JKSUJKDBSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423671456 1072559385 /nfs/dbraw/zinc/55/93/85/1072559385.db2.gz WQDKSGGWSIJZST-UHFFFAOYSA-N 2 1 389.500 -0.404 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423672177 1072559120 /nfs/dbraw/zinc/55/91/20/1072559120.db2.gz OBDZZKUCOKDAEM-BRWVUGGUSA-N 2 1 384.521 -0.090 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423672177 1072559109 /nfs/dbraw/zinc/55/91/09/1072559109.db2.gz OBDZZKUCOKDAEM-BRWVUGGUSA-N 2 1 384.521 -0.090 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423672179 1072559356 /nfs/dbraw/zinc/55/93/56/1072559356.db2.gz OBDZZKUCOKDAEM-IKGGRYGDSA-N 2 1 384.521 -0.090 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423672179 1072559344 /nfs/dbraw/zinc/55/93/44/1072559344.db2.gz OBDZZKUCOKDAEM-IKGGRYGDSA-N 2 1 384.521 -0.090 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423672181 1072559479 /nfs/dbraw/zinc/55/94/79/1072559479.db2.gz OBDZZKUCOKDAEM-IXDOHACOSA-N 2 1 384.521 -0.090 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423672181 1072559471 /nfs/dbraw/zinc/55/94/71/1072559471.db2.gz OBDZZKUCOKDAEM-IXDOHACOSA-N 2 1 384.521 -0.090 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@H+]1CCOC ZINC000423672183 1072559451 /nfs/dbraw/zinc/55/94/51/1072559451.db2.gz OBDZZKUCOKDAEM-ZACQAIPSSA-N 2 1 384.521 -0.090 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000423672183 1072559445 /nfs/dbraw/zinc/55/94/45/1072559445.db2.gz OBDZZKUCOKDAEM-ZACQAIPSSA-N 2 1 384.521 -0.090 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423674738 1072562089 /nfs/dbraw/zinc/56/20/89/1072562089.db2.gz AWVIODFNEMGEMZ-FGTMMUONSA-N 2 1 377.533 -0.032 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423674741 1072561987 /nfs/dbraw/zinc/56/19/87/1072561987.db2.gz AWVIODFNEMGEMZ-SQNIBIBYSA-N 2 1 377.533 -0.032 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423678756 1072563203 /nfs/dbraw/zinc/56/32/03/1072563203.db2.gz RBWAWNNZDCSKOI-INIZCTEOSA-N 2 1 379.505 -0.471 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423678757 1072562834 /nfs/dbraw/zinc/56/28/34/1072562834.db2.gz RBWAWNNZDCSKOI-MRXNPFEDSA-N 2 1 379.505 -0.471 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423682896 1072562772 /nfs/dbraw/zinc/56/27/72/1072562772.db2.gz TYLAWCFJSOGBIK-INIZCTEOSA-N 2 1 379.505 -0.613 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423682902 1072562733 /nfs/dbraw/zinc/56/27/33/1072562733.db2.gz TYLAWCFJSOGBIK-MRXNPFEDSA-N 2 1 379.505 -0.613 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[N@H+]1C ZINC000423684044 1072563497 /nfs/dbraw/zinc/56/34/97/1072563497.db2.gz UJVAHLTWYPROCW-CVEARBPZSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[N@@H+]1C ZINC000423684044 1072563483 /nfs/dbraw/zinc/56/34/83/1072563483.db2.gz UJVAHLTWYPROCW-CVEARBPZSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[N@H+]1C ZINC000423684045 1072563747 /nfs/dbraw/zinc/56/37/47/1072563747.db2.gz UJVAHLTWYPROCW-HOTGVXAUSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[N@@H+]1C ZINC000423684045 1072563737 /nfs/dbraw/zinc/56/37/37/1072563737.db2.gz UJVAHLTWYPROCW-HOTGVXAUSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[N@H+]1C ZINC000423684046 1072563955 /nfs/dbraw/zinc/56/39/55/1072563955.db2.gz UJVAHLTWYPROCW-HZPDHXFCSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[N@@H+]1C ZINC000423684046 1072563944 /nfs/dbraw/zinc/56/39/44/1072563944.db2.gz UJVAHLTWYPROCW-HZPDHXFCSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[N@H+]1C ZINC000423684047 1072564211 /nfs/dbraw/zinc/56/42/11/1072564211.db2.gz UJVAHLTWYPROCW-JKSUJKDBSA-N 2 1 381.521 -0.369 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[N@@H+]1C ZINC000423684047 1072564206 /nfs/dbraw/zinc/56/42/06/1072564206.db2.gz UJVAHLTWYPROCW-JKSUJKDBSA-N 2 1 381.521 -0.369 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685237 1072564183 /nfs/dbraw/zinc/56/41/83/1072564183.db2.gz ROJSCUPPHPEYLG-RDGPPVDQSA-N 2 1 386.496 -0.242 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685238 1072563453 /nfs/dbraw/zinc/56/34/53/1072563453.db2.gz ROJSCUPPHPEYLG-VJANTYMQSA-N 2 1 386.496 -0.242 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685239 1072563832 /nfs/dbraw/zinc/56/38/32/1072563832.db2.gz ROJSCUPPHPEYLG-XWSJACJDSA-N 2 1 386.496 -0.242 20 0 GBADMP CN(C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685240 1072563599 /nfs/dbraw/zinc/56/35/99/1072563599.db2.gz ROJSCUPPHPEYLG-YRXWBPOGSA-N 2 1 386.496 -0.242 20 0 GBADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685875 1072563658 /nfs/dbraw/zinc/56/36/58/1072563658.db2.gz VNHNHZFHRDRWFW-JXFKEZNVSA-N 2 1 393.532 -0.223 20 0 GBADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685876 1072563676 /nfs/dbraw/zinc/56/36/76/1072563676.db2.gz VNHNHZFHRDRWFW-OXJNMPFZSA-N 2 1 393.532 -0.223 20 0 GBADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685877 1072564141 /nfs/dbraw/zinc/56/41/41/1072564141.db2.gz VNHNHZFHRDRWFW-OXQOHEQNSA-N 2 1 393.532 -0.223 20 0 GBADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685878 1072564076 /nfs/dbraw/zinc/56/40/76/1072564076.db2.gz VNHNHZFHRDRWFW-UZLBHIALSA-N 2 1 393.532 -0.223 20 0 GBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423685930 1072563720 /nfs/dbraw/zinc/56/37/20/1072563720.db2.gz YOFXWEABDDVWCV-DLBZAZTESA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423685931 1072563768 /nfs/dbraw/zinc/56/37/68/1072563768.db2.gz YOFXWEABDDVWCV-IAGOWNOFSA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423685932 1072563850 /nfs/dbraw/zinc/56/38/50/1072563850.db2.gz YOFXWEABDDVWCV-IRXDYDNUSA-N 2 1 393.532 -0.354 20 0 GBADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423685933 1072563696 /nfs/dbraw/zinc/56/36/96/1072563696.db2.gz YOFXWEABDDVWCV-SJORKVTESA-N 2 1 393.532 -0.354 20 0 GBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686639 1072564017 /nfs/dbraw/zinc/56/40/17/1072564017.db2.gz WCFDMASTTILSNG-CVEARBPZSA-N 2 1 381.521 -0.225 20 0 GBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686640 1072563994 /nfs/dbraw/zinc/56/39/94/1072563994.db2.gz WCFDMASTTILSNG-HOTGVXAUSA-N 2 1 381.521 -0.225 20 0 GBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686641 1072564916 /nfs/dbraw/zinc/56/49/16/1072564916.db2.gz WCFDMASTTILSNG-HZPDHXFCSA-N 2 1 381.521 -0.225 20 0 GBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423686642 1072564626 /nfs/dbraw/zinc/56/46/26/1072564626.db2.gz WCFDMASTTILSNG-JKSUJKDBSA-N 2 1 381.521 -0.225 20 0 GBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703700 1072571503 /nfs/dbraw/zinc/57/15/03/1072571503.db2.gz CQCRMHRAEQCVMU-GDBMZVCRSA-N 2 1 377.493 -0.157 20 0 GBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703701 1072571380 /nfs/dbraw/zinc/57/13/80/1072571380.db2.gz CQCRMHRAEQCVMU-GOEBONIOSA-N 2 1 377.493 -0.157 20 0 GBADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703702 1072571273 /nfs/dbraw/zinc/57/12/73/1072571273.db2.gz CQCRMHRAEQCVMU-HOCLYGCPSA-N 2 1 377.493 -0.157 20 0 GBADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000423703704 1072571018 /nfs/dbraw/zinc/57/10/18/1072571018.db2.gz CQCRMHRAEQCVMU-ZBFHGGJFSA-N 2 1 377.493 -0.157 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC[NH2+]CC1 ZINC000423705264 1072565751 /nfs/dbraw/zinc/56/57/51/1072565751.db2.gz OFEOIRXHYCHKCP-KRWDZBQOSA-N 2 1 393.532 -0.258 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC[NH2+]CC1 ZINC000423705265 1072565708 /nfs/dbraw/zinc/56/57/08/1072565708.db2.gz OFEOIRXHYCHKCP-QGZVFWFLSA-N 2 1 393.532 -0.258 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000423709335 1072565892 /nfs/dbraw/zinc/56/58/92/1072565892.db2.gz IJXLNUGUGSBPLK-JSSFPYSZSA-N 2 1 392.475 -0.008 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000423709335 1072565882 /nfs/dbraw/zinc/56/58/82/1072565882.db2.gz IJXLNUGUGSBPLK-JSSFPYSZSA-N 2 1 392.475 -0.008 20 0 GBADMP O=C(C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423709832 1072565509 /nfs/dbraw/zinc/56/55/09/1072565509.db2.gz JJAVMNSONPKDTF-KGLIPLIRSA-N 2 1 392.422 -0.080 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000423726011 1072569320 /nfs/dbraw/zinc/56/93/20/1072569320.db2.gz JKUZFVSMTDSHRR-IHETXDGRSA-N 2 1 392.475 -0.008 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000423726011 1072569307 /nfs/dbraw/zinc/56/93/07/1072569307.db2.gz JKUZFVSMTDSHRR-IHETXDGRSA-N 2 1 392.475 -0.008 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@@H]1C[NH3+] ZINC000423729522 1072569988 /nfs/dbraw/zinc/56/99/88/1072569988.db2.gz KKVIZOFMNXXBLG-BZUAXINKSA-N 2 1 379.505 -0.663 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@H]1C[NH3+] ZINC000423729524 1072570458 /nfs/dbraw/zinc/57/04/58/1072570458.db2.gz KKVIZOFMNXXBLG-OAGGEKHMSA-N 2 1 379.505 -0.663 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@@H]1C[NH3+] ZINC000423729526 1072569811 /nfs/dbraw/zinc/56/98/11/1072569811.db2.gz KKVIZOFMNXXBLG-OWCLPIDISA-N 2 1 379.505 -0.663 20 0 GBADMP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@H]1C[NH3+] ZINC000423729529 1072570394 /nfs/dbraw/zinc/57/03/94/1072570394.db2.gz KKVIZOFMNXXBLG-PMPSAXMXSA-N 2 1 379.505 -0.663 20 0 GBADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423738011 1072574076 /nfs/dbraw/zinc/57/40/76/1072574076.db2.gz UQPOBDWNCQGXTL-LQWHRVPQSA-N 2 1 386.496 -0.098 20 0 GBADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423738014 1072574385 /nfs/dbraw/zinc/57/43/85/1072574385.db2.gz UQPOBDWNCQGXTL-LVCYWYKZSA-N 2 1 386.496 -0.098 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424457181 1072594918 /nfs/dbraw/zinc/59/49/18/1072594918.db2.gz YIISHOIMVLJFNF-BBWFWOEESA-N 2 1 391.520 -0.201 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424457182 1072595138 /nfs/dbraw/zinc/59/51/38/1072595138.db2.gz YIISHOIMVLJFNF-GVDBMIGSSA-N 2 1 391.520 -0.201 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424485125 1072597043 /nfs/dbraw/zinc/59/70/43/1072597043.db2.gz BPXFRYNELXLVGA-IXDOHACOSA-N 2 1 392.504 -0.854 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424485126 1072597135 /nfs/dbraw/zinc/59/71/35/1072597135.db2.gz BPXFRYNELXLVGA-YESZJQIVSA-N 2 1 392.504 -0.854 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424490985 1072598919 /nfs/dbraw/zinc/59/89/19/1072598919.db2.gz BJPXSBVAJUKPNY-JKSUJKDBSA-N 2 1 392.504 -0.758 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000424491329 1072599037 /nfs/dbraw/zinc/59/90/37/1072599037.db2.gz DBKGXXBVQGDPLY-SJORKVTESA-N 2 1 396.532 -0.090 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000424491334 1072598864 /nfs/dbraw/zinc/59/88/64/1072598864.db2.gz DCJWJQZKFSTYOH-INIZCTEOSA-N 2 1 381.521 -0.938 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000424491335 1072598938 /nfs/dbraw/zinc/59/89/38/1072598938.db2.gz DCJWJQZKFSTYOH-MRXNPFEDSA-N 2 1 381.521 -0.938 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424492277 1072598982 /nfs/dbraw/zinc/59/89/82/1072598982.db2.gz HHNWOPPHSSUCHI-BPQIPLTHSA-N 2 1 388.516 -0.137 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424492279 1072598632 /nfs/dbraw/zinc/59/86/32/1072598632.db2.gz HHNWOPPHSSUCHI-RYQLBKOJSA-N 2 1 388.516 -0.137 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000424494921 1072599690 /nfs/dbraw/zinc/59/96/90/1072599690.db2.gz ORKMCIRKZCWNSG-INIZCTEOSA-N 2 1 381.521 -0.938 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000424494922 1072599507 /nfs/dbraw/zinc/59/95/07/1072599507.db2.gz ORKMCIRKZCWNSG-MRXNPFEDSA-N 2 1 381.521 -0.938 20 0 GBADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CC[NH+](C)C ZINC000424495621 1072599461 /nfs/dbraw/zinc/59/94/61/1072599461.db2.gz QYKGUUIVWSIYCB-DLBZAZTESA-N 2 1 393.536 -0.985 20 0 GBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424495621 1072599450 /nfs/dbraw/zinc/59/94/50/1072599450.db2.gz QYKGUUIVWSIYCB-DLBZAZTESA-N 2 1 393.536 -0.985 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000424495684 1072599732 /nfs/dbraw/zinc/59/97/32/1072599732.db2.gz REEYWTUGUMLKBU-UHFFFAOYSA-N 2 1 384.521 -0.088 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000424497807 1072600400 /nfs/dbraw/zinc/60/04/00/1072600400.db2.gz YAWWCBMJIRJZGI-INIZCTEOSA-N 2 1 396.532 -0.231 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000424497808 1072600389 /nfs/dbraw/zinc/60/03/89/1072600389.db2.gz YAWWCBMJIRJZGI-MRXNPFEDSA-N 2 1 396.532 -0.231 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424509195 1072601528 /nfs/dbraw/zinc/60/15/28/1072601528.db2.gz PVMOVEDIYIZEDH-BHYGNILZSA-N 2 1 392.504 -0.710 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424509197 1072601618 /nfs/dbraw/zinc/60/16/18/1072601618.db2.gz PVMOVEDIYIZEDH-HYVNUMGLSA-N 2 1 392.504 -0.710 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@@H+](C)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424512133 1072599390 /nfs/dbraw/zinc/59/93/90/1072599390.db2.gz UZNCKAKQAHEGLZ-ZWKOTPCHSA-N 2 1 384.484 -0.079 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000424514706 1072602981 /nfs/dbraw/zinc/60/29/81/1072602981.db2.gz BAOCNYXZSNMUQP-ARFHVFGLSA-N 2 1 376.505 -0.090 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000424514716 1072603152 /nfs/dbraw/zinc/60/31/52/1072603152.db2.gz BAOCNYXZSNMUQP-XHSDSOJGSA-N 2 1 376.505 -0.090 20 0 GBADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424523506 1072604286 /nfs/dbraw/zinc/60/42/86/1072604286.db2.gz OJSSCDKWHMYEMV-RBUKOAKNSA-N 2 1 385.512 -0.259 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000424528056 1072601467 /nfs/dbraw/zinc/60/14/67/1072601467.db2.gz TVJNFQNRTXBJDO-DLBZAZTESA-N 2 1 379.549 -0.023 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000424528057 1072601537 /nfs/dbraw/zinc/60/15/37/1072601537.db2.gz TVJNFQNRTXBJDO-IAGOWNOFSA-N 2 1 379.549 -0.023 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000424528058 1072601261 /nfs/dbraw/zinc/60/12/61/1072601261.db2.gz TVJNFQNRTXBJDO-IRXDYDNUSA-N 2 1 379.549 -0.023 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)CN1CC[NH+](C)CC1 ZINC000424528059 1072601655 /nfs/dbraw/zinc/60/16/55/1072601655.db2.gz TVJNFQNRTXBJDO-SJORKVTESA-N 2 1 379.549 -0.023 20 0 GBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424542151 1072604854 /nfs/dbraw/zinc/60/48/54/1072604854.db2.gz HZQLYNKBCCQCGG-LLLHUVSDSA-N 2 1 376.505 -0.138 20 0 GBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424542157 1072605044 /nfs/dbraw/zinc/60/50/44/1072605044.db2.gz HZQLYNKBCCQCGG-QMCVQRASSA-N 2 1 376.505 -0.138 20 0 GBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424542162 1072604898 /nfs/dbraw/zinc/60/48/98/1072604898.db2.gz HZQLYNKBCCQCGG-XBVQOTNRSA-N 2 1 376.505 -0.138 20 0 GBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424542165 1072604864 /nfs/dbraw/zinc/60/48/64/1072604864.db2.gz HZQLYNKBCCQCGG-XLNGHYISSA-N 2 1 376.505 -0.138 20 0 GBADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542568 1072604894 /nfs/dbraw/zinc/60/48/94/1072604894.db2.gz FSVPZFWUIYTALY-CVEARBPZSA-N 2 1 393.532 -0.319 20 0 GBADMP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542569 1072604890 /nfs/dbraw/zinc/60/48/90/1072604890.db2.gz FSVPZFWUIYTALY-HOTGVXAUSA-N 2 1 393.532 -0.319 20 0 GBADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542570 1072605005 /nfs/dbraw/zinc/60/50/05/1072605005.db2.gz FSVPZFWUIYTALY-HZPDHXFCSA-N 2 1 393.532 -0.319 20 0 GBADMP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542571 1072604901 /nfs/dbraw/zinc/60/49/01/1072604901.db2.gz FSVPZFWUIYTALY-JKSUJKDBSA-N 2 1 393.532 -0.319 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)C[C@H]2[NH3+])cn1 ZINC000424546006 1072604920 /nfs/dbraw/zinc/60/49/20/1072604920.db2.gz MJDTTYQDNWEESQ-DLBZAZTESA-N 2 1 399.499 -0.112 20 0 GBADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546425 1072604967 /nfs/dbraw/zinc/60/49/67/1072604967.db2.gz IYSXFKKYCRZZFH-HDEZJCGLSA-N 2 1 376.505 -0.090 20 0 GBADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546427 1072604952 /nfs/dbraw/zinc/60/49/52/1072604952.db2.gz IYSXFKKYCRZZFH-NXNVCVFFSA-N 2 1 376.505 -0.090 20 0 GBADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546428 1072605797 /nfs/dbraw/zinc/60/57/97/1072605797.db2.gz IYSXFKKYCRZZFH-TXCZRRACSA-N 2 1 376.505 -0.090 20 0 GBADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546429 1072605617 /nfs/dbraw/zinc/60/56/17/1072605617.db2.gz IYSXFKKYCRZZFH-YQFWSFKMSA-N 2 1 376.505 -0.090 20 0 GBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424550314 1072605936 /nfs/dbraw/zinc/60/59/36/1072605936.db2.gz NAHPIAWETZMPTB-BHYGNILZSA-N 2 1 376.505 -0.090 20 0 GBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424550315 1072605746 /nfs/dbraw/zinc/60/57/46/1072605746.db2.gz NAHPIAWETZMPTB-HYVNUMGLSA-N 2 1 376.505 -0.090 20 0 GBADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424552386 1072606549 /nfs/dbraw/zinc/60/65/49/1072606549.db2.gz YAJQJEBPUGCIJX-BHYGNILZSA-N 2 1 376.505 -0.137 20 0 GBADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424552387 1072606568 /nfs/dbraw/zinc/60/65/68/1072606568.db2.gz YAJQJEBPUGCIJX-HYVNUMGLSA-N 2 1 376.505 -0.137 20 0 GBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)CC2)c1 ZINC000424553163 1072606906 /nfs/dbraw/zinc/60/69/06/1072606906.db2.gz ZBQYTKDUAYAWKC-DLBZAZTESA-N 2 1 397.483 -0.275 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC000424559069 1072606711 /nfs/dbraw/zinc/60/67/11/1072606711.db2.gz XIKRMAIHHFGYCE-RBUKOAKNSA-N 2 1 396.495 -0.152 20 0 GBADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC000424559069 1072606702 /nfs/dbraw/zinc/60/67/02/1072606702.db2.gz XIKRMAIHHFGYCE-RBUKOAKNSA-N 2 1 396.495 -0.152 20 0 GBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)C2)CC1 ZINC000425379152 1072695653 /nfs/dbraw/zinc/69/56/53/1072695653.db2.gz CZAJPWSERLOOLG-OKZBNKHCSA-N 2 1 377.533 -0.223 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)C2)CC1 ZINC000425379153 1072695808 /nfs/dbraw/zinc/69/58/08/1072695808.db2.gz CZAJPWSERLOOLG-RCCFBDPRSA-N 2 1 377.533 -0.223 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000425386184 1072697005 /nfs/dbraw/zinc/69/70/05/1072697005.db2.gz LKZNEVAQJRNNAB-UHFFFAOYSA-N 2 1 398.548 -0.139 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000425386184 1072696999 /nfs/dbraw/zinc/69/69/99/1072696999.db2.gz LKZNEVAQJRNNAB-UHFFFAOYSA-N 2 1 398.548 -0.139 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425395440 1072703181 /nfs/dbraw/zinc/70/31/81/1072703181.db2.gz XSBAUVHTAVUAON-DLBZAZTESA-N 2 1 393.532 -0.448 20 0 GBADMP COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000425400848 1072708061 /nfs/dbraw/zinc/70/80/61/1072708061.db2.gz KVNRBGBVSUFXNB-INIZCTEOSA-N 2 1 398.548 -0.141 20 0 GBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)[C@@H]2C1 ZINC000425402858 1072709291 /nfs/dbraw/zinc/70/92/91/1072709291.db2.gz NMHTXWOKGHFDIW-GVDBMIGSSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)[C@@H]2C1 ZINC000425402858 1072709287 /nfs/dbraw/zinc/70/92/87/1072709287.db2.gz NMHTXWOKGHFDIW-GVDBMIGSSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425402858 1072709279 /nfs/dbraw/zinc/70/92/79/1072709279.db2.gz NMHTXWOKGHFDIW-GVDBMIGSSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)[C@@H]2C1 ZINC000425402859 1072709188 /nfs/dbraw/zinc/70/91/88/1072709188.db2.gz NMHTXWOKGHFDIW-YESZJQIVSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)[C@@H]2C1 ZINC000425402859 1072709180 /nfs/dbraw/zinc/70/91/80/1072709180.db2.gz NMHTXWOKGHFDIW-YESZJQIVSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425402859 1072709176 /nfs/dbraw/zinc/70/91/76/1072709176.db2.gz NMHTXWOKGHFDIW-YESZJQIVSA-N 2 1 391.516 -0.696 20 0 GBADMP CCOC(=O)Cn1cnc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000425706514 1072776075 /nfs/dbraw/zinc/77/60/75/1072776075.db2.gz XXWMKQCFMMRHFA-UHFFFAOYSA-N 2 1 381.481 0.331 20 0 GBADMP CCOC(=O)Cn1cnc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000425706514 1072776060 /nfs/dbraw/zinc/77/60/60/1072776060.db2.gz XXWMKQCFMMRHFA-UHFFFAOYSA-N 2 1 381.481 0.331 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000425802746 1072813932 /nfs/dbraw/zinc/81/39/32/1072813932.db2.gz JVWMFMKIPAWUNJ-UHFFFAOYSA-N 2 1 380.493 -0.048 20 0 GBADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425876242 1072841719 /nfs/dbraw/zinc/84/17/19/1072841719.db2.gz UVKNNIMXLQYWFM-UHFFFAOYSA-N 2 1 384.521 -0.217 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000425877726 1072840286 /nfs/dbraw/zinc/84/02/86/1072840286.db2.gz HDPDLGVFSCCYJB-UHFFFAOYSA-N 2 1 384.521 -0.624 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000425889235 1072843441 /nfs/dbraw/zinc/84/34/41/1072843441.db2.gz QEGQDMUJPWJQNW-UHFFFAOYSA-N 2 1 397.564 -0.302 20 0 GBADMP COCC(C)(C)N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000425889235 1072843427 /nfs/dbraw/zinc/84/34/27/1072843427.db2.gz QEGQDMUJPWJQNW-UHFFFAOYSA-N 2 1 397.564 -0.302 20 0 GBADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@H](C)C3)CC2)CC[C@@H]1O ZINC000426154470 1072909805 /nfs/dbraw/zinc/90/98/05/1072909805.db2.gz RLFCINZDZJIOBI-BDXSIMOUSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@@H]1O ZINC000426154471 1072909392 /nfs/dbraw/zinc/90/93/92/1072909392.db2.gz RLFCINZDZJIOBI-MHORFTMASA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@@H]1O ZINC000426154471 1072909385 /nfs/dbraw/zinc/90/93/85/1072909385.db2.gz RLFCINZDZJIOBI-MHORFTMASA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@@H]1O ZINC000426154471 1072909380 /nfs/dbraw/zinc/90/93/80/1072909380.db2.gz RLFCINZDZJIOBI-MHORFTMASA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)[C@H](C)C3)CC2)CC[C@H]1O ZINC000426154472 1072909424 /nfs/dbraw/zinc/90/94/24/1072909424.db2.gz RLFCINZDZJIOBI-TVFCKZIOSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)[C@H](C)C3)CC2)CC[C@H]1O ZINC000426154472 1072909422 /nfs/dbraw/zinc/90/94/22/1072909422.db2.gz RLFCINZDZJIOBI-TVFCKZIOSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@H](C)C3)CC2)CC[C@H]1O ZINC000426154472 1072909413 /nfs/dbraw/zinc/90/94/13/1072909413.db2.gz RLFCINZDZJIOBI-TVFCKZIOSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@H]1O ZINC000426154473 1072910703 /nfs/dbraw/zinc/91/07/03/1072910703.db2.gz RLFCINZDZJIOBI-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@H]1O ZINC000426154473 1072910697 /nfs/dbraw/zinc/91/06/97/1072910697.db2.gz RLFCINZDZJIOBI-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@H]1O ZINC000426154473 1072910690 /nfs/dbraw/zinc/91/06/90/1072910690.db2.gz RLFCINZDZJIOBI-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP O=C(C[NH+]1CCC[C@@H]1CCO)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1 ZINC000426203252 1072916869 /nfs/dbraw/zinc/91/68/69/1072916869.db2.gz YZXVSSLNZLTDGU-HDICACEKSA-N 2 1 396.532 -0.649 20 0 GBADMP O=C(C[NH+]1CCC[C@@H]1CCO)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000426203252 1072916860 /nfs/dbraw/zinc/91/68/60/1072916860.db2.gz YZXVSSLNZLTDGU-HDICACEKSA-N 2 1 396.532 -0.649 20 0 GBADMP O=C(C[NH+]1CCC[C@H]1CCO)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000426203252 1072916853 /nfs/dbraw/zinc/91/68/53/1072916853.db2.gz YZXVSSLNZLTDGU-HDICACEKSA-N 2 1 396.532 -0.649 20 0 GBADMP O=C(C[NH+]1CCC[C@@H]1CCO)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000426203253 1072916743 /nfs/dbraw/zinc/91/67/43/1072916743.db2.gz YZXVSSLNZLTDGU-QZTJIDSGSA-N 2 1 396.532 -0.649 20 0 GBADMP O=C(C[NH+]1CCC[C@H]1CCO)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000426203254 1072916673 /nfs/dbraw/zinc/91/66/73/1072916673.db2.gz YZXVSSLNZLTDGU-ROUUACIJSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426556560 1072984554 /nfs/dbraw/zinc/98/45/54/1072984554.db2.gz BNSJMRJTSGJDEH-AOIWGVFYSA-N 2 1 384.521 -0.253 20 0 GBADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426556561 1072984647 /nfs/dbraw/zinc/98/46/47/1072984647.db2.gz BNSJMRJTSGJDEH-LMMKCTJWSA-N 2 1 384.521 -0.253 20 0 GBADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426556563 1072984592 /nfs/dbraw/zinc/98/45/92/1072984592.db2.gz BNSJMRJTSGJDEH-LNLFQRSKSA-N 2 1 384.521 -0.253 20 0 GBADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426556565 1072984577 /nfs/dbraw/zinc/98/45/77/1072984577.db2.gz BNSJMRJTSGJDEH-SCTDSRPQSA-N 2 1 384.521 -0.253 20 0 GBADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCOCC1 ZINC000427099304 1073054358 /nfs/dbraw/zinc/05/43/58/1073054358.db2.gz HEXLZCSPMVBVAR-HNNXBMFYSA-N 2 1 392.504 0.173 20 0 GBADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCOCC1 ZINC000427099305 1073054147 /nfs/dbraw/zinc/05/41/47/1073054147.db2.gz HEXLZCSPMVBVAR-OAHLLOKOSA-N 2 1 392.504 0.173 20 0 GBADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)n2)CC1 ZINC000427104129 1073054247 /nfs/dbraw/zinc/05/42/47/1073054247.db2.gz MCMAMRIMDAHAFL-UHFFFAOYSA-N 2 1 380.518 0.253 20 0 GBADMP CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCCN(C)CC3)ccn2)CC1 ZINC000429807885 1073656675 /nfs/dbraw/zinc/65/66/75/1073656675.db2.gz ZRFUQLMRJZGLRV-UHFFFAOYSA-N 2 1 388.472 -0.428 20 0 GBADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000429930039 1073900955 /nfs/dbraw/zinc/90/09/55/1073900955.db2.gz WZMQSBJCBXOFQH-UHFFFAOYSA-N 2 1 393.492 -0.946 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000430113017 1072643456 /nfs/dbraw/zinc/64/34/56/1072643456.db2.gz GXHDWNQRUQEXIF-INIZCTEOSA-N 2 1 389.566 -0.065 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000430113018 1072643379 /nfs/dbraw/zinc/64/33/79/1072643379.db2.gz GXHDWNQRUQEXIF-MRXNPFEDSA-N 2 1 389.566 -0.065 20 0 GBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603195 1072587359 /nfs/dbraw/zinc/58/73/59/1072587359.db2.gz JDUAVWSFOARZBN-DOTOQJQBSA-N 2 1 379.505 -0.791 20 0 GBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603197 1072588236 /nfs/dbraw/zinc/58/82/36/1072588236.db2.gz JDUAVWSFOARZBN-NVXWUHKLSA-N 2 1 379.505 -0.791 20 0 GBADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603199 1072587979 /nfs/dbraw/zinc/58/79/79/1072587979.db2.gz JDUAVWSFOARZBN-RDJZCZTQSA-N 2 1 379.505 -0.791 20 0 GBADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603201 1072587754 /nfs/dbraw/zinc/58/77/54/1072587754.db2.gz JDUAVWSFOARZBN-WBVHZDCISA-N 2 1 379.505 -0.791 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605180 1072591629 /nfs/dbraw/zinc/59/16/29/1072591629.db2.gz PZHIAWYULSOJIW-DLBZAZTESA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605180 1072591623 /nfs/dbraw/zinc/59/16/23/1072591623.db2.gz PZHIAWYULSOJIW-DLBZAZTESA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605180 1072591614 /nfs/dbraw/zinc/59/16/14/1072591614.db2.gz PZHIAWYULSOJIW-DLBZAZTESA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605181 1072592096 /nfs/dbraw/zinc/59/20/96/1072592096.db2.gz PZHIAWYULSOJIW-IAGOWNOFSA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605181 1072592089 /nfs/dbraw/zinc/59/20/89/1072592089.db2.gz PZHIAWYULSOJIW-IAGOWNOFSA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605181 1072592081 /nfs/dbraw/zinc/59/20/81/1072592081.db2.gz PZHIAWYULSOJIW-IAGOWNOFSA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605183 1072591776 /nfs/dbraw/zinc/59/17/76/1072591776.db2.gz PZHIAWYULSOJIW-IRXDYDNUSA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605183 1072591771 /nfs/dbraw/zinc/59/17/71/1072591771.db2.gz PZHIAWYULSOJIW-IRXDYDNUSA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605183 1072591761 /nfs/dbraw/zinc/59/17/61/1072591761.db2.gz PZHIAWYULSOJIW-IRXDYDNUSA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605185 1072591686 /nfs/dbraw/zinc/59/16/86/1072591686.db2.gz PZHIAWYULSOJIW-SJORKVTESA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605185 1072591680 /nfs/dbraw/zinc/59/16/80/1072591680.db2.gz PZHIAWYULSOJIW-SJORKVTESA-N 3 1 383.537 -0.754 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605185 1072591670 /nfs/dbraw/zinc/59/16/70/1072591670.db2.gz PZHIAWYULSOJIW-SJORKVTESA-N 3 1 383.537 -0.754 20 0 GBADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430605872 1072589168 /nfs/dbraw/zinc/58/91/68/1072589168.db2.gz SUCXKDOGCCDFGU-CHWSQXEVSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430605872 1072589159 /nfs/dbraw/zinc/58/91/59/1072589159.db2.gz SUCXKDOGCCDFGU-CHWSQXEVSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430605874 1072588830 /nfs/dbraw/zinc/58/88/30/1072588830.db2.gz SUCXKDOGCCDFGU-OLZOCXBDSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430605874 1072588820 /nfs/dbraw/zinc/58/88/20/1072588820.db2.gz SUCXKDOGCCDFGU-OLZOCXBDSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430605875 1072588788 /nfs/dbraw/zinc/58/87/88/1072588788.db2.gz SUCXKDOGCCDFGU-QWHCGFSZSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430605875 1072588775 /nfs/dbraw/zinc/58/87/75/1072588775.db2.gz SUCXKDOGCCDFGU-QWHCGFSZSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430605876 1072589108 /nfs/dbraw/zinc/58/91/08/1072589108.db2.gz SUCXKDOGCCDFGU-STQMWFEESA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430605876 1072589103 /nfs/dbraw/zinc/58/91/03/1072589103.db2.gz SUCXKDOGCCDFGU-STQMWFEESA-N 2 1 397.501 -0.552 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430606799 1072592338 /nfs/dbraw/zinc/59/23/38/1072592338.db2.gz WKXKUFQGYVHIEF-HNNXBMFYSA-N 2 1 391.472 -0.649 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430606800 1072591741 /nfs/dbraw/zinc/59/17/41/1072591741.db2.gz WKXKUFQGYVHIEF-OAHLLOKOSA-N 2 1 391.472 -0.649 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000430608807 1072600340 /nfs/dbraw/zinc/60/03/40/1072600340.db2.gz FEIDDISFLLFWQE-INIZCTEOSA-N 2 1 381.521 -0.318 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000430608810 1072600274 /nfs/dbraw/zinc/60/02/74/1072600274.db2.gz FEIDDISFLLFWQE-MRXNPFEDSA-N 2 1 381.521 -0.318 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000430609750 1072603705 /nfs/dbraw/zinc/60/37/05/1072603705.db2.gz ITNHUKGGELIIPG-GFCCVEGCSA-N 2 1 390.423 -0.473 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000430609750 1072603702 /nfs/dbraw/zinc/60/37/02/1072603702.db2.gz ITNHUKGGELIIPG-GFCCVEGCSA-N 2 1 390.423 -0.473 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000430609751 1072603683 /nfs/dbraw/zinc/60/36/83/1072603683.db2.gz ITNHUKGGELIIPG-LBPRGKRZSA-N 2 1 390.423 -0.473 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000430609751 1072603682 /nfs/dbraw/zinc/60/36/82/1072603682.db2.gz ITNHUKGGELIIPG-LBPRGKRZSA-N 2 1 390.423 -0.473 20 0 GBADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430610940 1072604778 /nfs/dbraw/zinc/60/47/78/1072604778.db2.gz MTCAGAPIKLPLJN-KRWDZBQOSA-N 2 1 395.548 -0.121 20 0 GBADMP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430610941 1072604455 /nfs/dbraw/zinc/60/44/55/1072604455.db2.gz MTCAGAPIKLPLJN-QGZVFWFLSA-N 2 1 395.548 -0.121 20 0 GBADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610966 1072604527 /nfs/dbraw/zinc/60/45/27/1072604527.db2.gz MUUPLWYVZYYVRY-CHWSQXEVSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610966 1072604526 /nfs/dbraw/zinc/60/45/26/1072604526.db2.gz MUUPLWYVZYYVRY-CHWSQXEVSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610967 1072604815 /nfs/dbraw/zinc/60/48/15/1072604815.db2.gz MUUPLWYVZYYVRY-OLZOCXBDSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610967 1072604813 /nfs/dbraw/zinc/60/48/13/1072604813.db2.gz MUUPLWYVZYYVRY-OLZOCXBDSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610968 1072604843 /nfs/dbraw/zinc/60/48/43/1072604843.db2.gz MUUPLWYVZYYVRY-QWHCGFSZSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430610968 1072604842 /nfs/dbraw/zinc/60/48/42/1072604842.db2.gz MUUPLWYVZYYVRY-QWHCGFSZSA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610969 1072604860 /nfs/dbraw/zinc/60/48/60/1072604860.db2.gz MUUPLWYVZYYVRY-STQMWFEESA-N 2 1 397.501 -0.552 20 0 GBADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430610969 1072604856 /nfs/dbraw/zinc/60/48/56/1072604856.db2.gz MUUPLWYVZYYVRY-STQMWFEESA-N 2 1 397.501 -0.552 20 0 GBADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430619431 1072615120 /nfs/dbraw/zinc/61/51/20/1072615120.db2.gz BENAKXKCVAVWFT-CYBMUJFWSA-N 2 1 397.501 -0.632 20 0 GBADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430619431 1072615113 /nfs/dbraw/zinc/61/51/13/1072615113.db2.gz BENAKXKCVAVWFT-CYBMUJFWSA-N 2 1 397.501 -0.632 20 0 GBADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430619434 1072615225 /nfs/dbraw/zinc/61/52/25/1072615225.db2.gz BENAKXKCVAVWFT-ZDUSSCGKSA-N 2 1 397.501 -0.632 20 0 GBADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430619434 1072615219 /nfs/dbraw/zinc/61/52/19/1072615219.db2.gz BENAKXKCVAVWFT-ZDUSSCGKSA-N 2 1 397.501 -0.632 20 0 GBADMP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430619724 1072615310 /nfs/dbraw/zinc/61/53/10/1072615310.db2.gz ALBUUNMRXGFLBB-UHFFFAOYSA-N 2 1 383.474 -0.974 20 0 GBADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000430620662 1072616749 /nfs/dbraw/zinc/61/67/49/1072616749.db2.gz CHWMLDQBFMBEEB-KRWDZBQOSA-N 2 1 391.516 -0.789 20 0 GBADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000430620663 1072616987 /nfs/dbraw/zinc/61/69/87/1072616987.db2.gz CHWMLDQBFMBEEB-QGZVFWFLSA-N 2 1 391.516 -0.789 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430623734 1072619159 /nfs/dbraw/zinc/61/91/59/1072619159.db2.gz HVRKHESTXDFJSX-KRWDZBQOSA-N 2 1 388.516 -0.093 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430623738 1072619123 /nfs/dbraw/zinc/61/91/23/1072619123.db2.gz HVRKHESTXDFJSX-QGZVFWFLSA-N 2 1 388.516 -0.093 20 0 GBADMP O=C(CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000430623840 1072618680 /nfs/dbraw/zinc/61/86/80/1072618680.db2.gz NMMHFFFEFKQYTF-INIZCTEOSA-N 2 1 377.533 -0.127 20 0 GBADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000430623840 1072618672 /nfs/dbraw/zinc/61/86/72/1072618672.db2.gz NMMHFFFEFKQYTF-INIZCTEOSA-N 3 1 377.533 -0.127 20 0 GBADMP O=C(CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000430623841 1072618894 /nfs/dbraw/zinc/61/88/94/1072618894.db2.gz NMMHFFFEFKQYTF-MRXNPFEDSA-N 2 1 377.533 -0.127 20 0 GBADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000430623841 1072618891 /nfs/dbraw/zinc/61/88/91/1072618891.db2.gz NMMHFFFEFKQYTF-MRXNPFEDSA-N 3 1 377.533 -0.127 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000430627377 1072621020 /nfs/dbraw/zinc/62/10/20/1072621020.db2.gz MYIDFWWAXWFSGF-GFCCVEGCSA-N 2 1 397.426 -0.194 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000430627377 1072621012 /nfs/dbraw/zinc/62/10/12/1072621012.db2.gz MYIDFWWAXWFSGF-GFCCVEGCSA-N 2 1 397.426 -0.194 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000430627378 1072620893 /nfs/dbraw/zinc/62/08/93/1072620893.db2.gz MYIDFWWAXWFSGF-LBPRGKRZSA-N 2 1 397.426 -0.194 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000430627378 1072620889 /nfs/dbraw/zinc/62/08/89/1072620889.db2.gz MYIDFWWAXWFSGF-LBPRGKRZSA-N 2 1 397.426 -0.194 20 0 GBADMP NC(=O)CCN(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000430629037 1072621066 /nfs/dbraw/zinc/62/10/66/1072621066.db2.gz PHTWQAHQFLLKQI-AWEZNQCLSA-N 2 1 393.463 -0.179 20 0 GBADMP NC(=O)CCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000430629038 1072620820 /nfs/dbraw/zinc/62/08/20/1072620820.db2.gz PHTWQAHQFLLKQI-CQSZACIVSA-N 2 1 393.463 -0.179 20 0 GBADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430629477 1072622027 /nfs/dbraw/zinc/62/20/27/1072622027.db2.gz QEEBKJDNHHJLBT-CYBMUJFWSA-N 2 1 397.501 -0.551 20 0 GBADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430629479 1072622425 /nfs/dbraw/zinc/62/24/25/1072622425.db2.gz QEEBKJDNHHJLBT-ZDUSSCGKSA-N 2 1 397.501 -0.551 20 0 GBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631014 1072622341 /nfs/dbraw/zinc/62/23/41/1072622341.db2.gz STGBWBSWCNZRDT-DLBZAZTESA-N 2 1 379.505 -0.743 20 0 GBADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631015 1072622248 /nfs/dbraw/zinc/62/22/48/1072622248.db2.gz STGBWBSWCNZRDT-IAGOWNOFSA-N 2 1 379.505 -0.743 20 0 GBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631017 1072622406 /nfs/dbraw/zinc/62/24/06/1072622406.db2.gz STGBWBSWCNZRDT-IRXDYDNUSA-N 2 1 379.505 -0.743 20 0 GBADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631019 1072622725 /nfs/dbraw/zinc/62/27/25/1072622725.db2.gz STGBWBSWCNZRDT-SJORKVTESA-N 2 1 379.505 -0.743 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000430632291 1072623750 /nfs/dbraw/zinc/62/37/50/1072623750.db2.gz XXCWWMYIIWQGBW-AWEZNQCLSA-N 2 1 392.456 -0.303 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000430632292 1072623982 /nfs/dbraw/zinc/62/39/82/1072623982.db2.gz XXCWWMYIIWQGBW-CQSZACIVSA-N 2 1 392.456 -0.303 20 0 GBADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000430633283 1072623818 /nfs/dbraw/zinc/62/38/18/1072623818.db2.gz BROSTZVLLAWGHJ-INIZCTEOSA-N 2 1 379.505 -0.741 20 0 GBADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000430633284 1072623721 /nfs/dbraw/zinc/62/37/21/1072623721.db2.gz BROSTZVLLAWGHJ-MRXNPFEDSA-N 2 1 379.505 -0.741 20 0 GBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633585 1072623624 /nfs/dbraw/zinc/62/36/24/1072623624.db2.gz CGAIGJQDXQPVCR-CVEARBPZSA-N 2 1 389.504 -0.699 20 0 GBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633586 1072623901 /nfs/dbraw/zinc/62/39/01/1072623901.db2.gz CGAIGJQDXQPVCR-HOTGVXAUSA-N 2 1 389.504 -0.699 20 0 GBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633587 1072624013 /nfs/dbraw/zinc/62/40/13/1072624013.db2.gz CGAIGJQDXQPVCR-HZPDHXFCSA-N 2 1 389.504 -0.699 20 0 GBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633588 1072623841 /nfs/dbraw/zinc/62/38/41/1072623841.db2.gz CGAIGJQDXQPVCR-JKSUJKDBSA-N 2 1 389.504 -0.699 20 0 GBADMP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430640491 1072155432 /nfs/dbraw/zinc/15/54/32/1072155432.db2.gz KNWKFRHALFCCFF-UHFFFAOYSA-N 2 1 384.502 -0.321 20 0 GBADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430640491 1072155428 /nfs/dbraw/zinc/15/54/28/1072155428.db2.gz KNWKFRHALFCCFF-UHFFFAOYSA-N 2 1 384.502 -0.321 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430641340 1072157149 /nfs/dbraw/zinc/15/71/49/1072157149.db2.gz MCAGCAPSENFAAY-INIZCTEOSA-N 2 1 389.504 -0.698 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430641341 1072157040 /nfs/dbraw/zinc/15/70/40/1072157040.db2.gz MCAGCAPSENFAAY-MRXNPFEDSA-N 2 1 389.504 -0.698 20 0 GBADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430642693 1072157838 /nfs/dbraw/zinc/15/78/38/1072157838.db2.gz VXBCLZJZMDILBO-HNNXBMFYSA-N 2 1 396.513 -0.143 20 0 GBADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430642695 1072157730 /nfs/dbraw/zinc/15/77/30/1072157730.db2.gz VXBCLZJZMDILBO-OAHLLOKOSA-N 2 1 396.513 -0.143 20 0 GBADMP CN1C(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2C1=O ZINC000430643026 1072156979 /nfs/dbraw/zinc/15/69/79/1072156979.db2.gz WMHYKNFZLNXOLE-GFCCVEGCSA-N 2 1 387.440 -0.362 20 0 GBADMP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2C1=O ZINC000430643026 1072156969 /nfs/dbraw/zinc/15/69/69/1072156969.db2.gz WMHYKNFZLNXOLE-GFCCVEGCSA-N 2 1 387.440 -0.362 20 0 GBADMP CN1C(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2C1=O ZINC000430643029 1072157065 /nfs/dbraw/zinc/15/70/65/1072157065.db2.gz WMHYKNFZLNXOLE-LBPRGKRZSA-N 2 1 387.440 -0.362 20 0 GBADMP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2C1=O ZINC000430643029 1072157061 /nfs/dbraw/zinc/15/70/61/1072157061.db2.gz WMHYKNFZLNXOLE-LBPRGKRZSA-N 2 1 387.440 -0.362 20 0 GBADMP O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430643418 1072158621 /nfs/dbraw/zinc/15/86/21/1072158621.db2.gz LUBHKMPIHARKCA-GFCCVEGCSA-N 2 1 393.410 -0.092 20 0 GBADMP O=C(CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430643420 1072158774 /nfs/dbraw/zinc/15/87/74/1072158774.db2.gz LUBHKMPIHARKCA-LBPRGKRZSA-N 2 1 393.410 -0.092 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430646506 1072160006 /nfs/dbraw/zinc/16/00/06/1072160006.db2.gz WHSQSOXFRMSHMP-CABCVRRESA-N 2 1 376.457 -0.271 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430646507 1072160552 /nfs/dbraw/zinc/16/05/52/1072160552.db2.gz WHSQSOXFRMSHMP-GJZGRUSLSA-N 2 1 376.457 -0.271 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430646508 1072160202 /nfs/dbraw/zinc/16/02/02/1072160202.db2.gz WHSQSOXFRMSHMP-HUUCEWRRSA-N 2 1 376.457 -0.271 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430646509 1072160158 /nfs/dbraw/zinc/16/01/58/1072160158.db2.gz WHSQSOXFRMSHMP-LSDHHAIUSA-N 2 1 376.457 -0.271 20 0 GBADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647388 530377361 /nfs/dbraw/zinc/37/73/61/530377361.db2.gz PZRUVHWSDZMPBL-HNNXBMFYSA-N 2 1 376.523 -0.914 20 0 GBADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647390 530377435 /nfs/dbraw/zinc/37/74/35/530377435.db2.gz PZRUVHWSDZMPBL-OAHLLOKOSA-N 2 1 376.523 -0.914 20 0 GBADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648474 1072162191 /nfs/dbraw/zinc/16/21/91/1072162191.db2.gz ZDOLTRVRTSZDBR-GFCCVEGCSA-N 2 1 383.474 -0.941 20 0 GBADMP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648474 1072162183 /nfs/dbraw/zinc/16/21/83/1072162183.db2.gz ZDOLTRVRTSZDBR-GFCCVEGCSA-N 2 1 383.474 -0.941 20 0 GBADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648476 1072162086 /nfs/dbraw/zinc/16/20/86/1072162086.db2.gz ZDOLTRVRTSZDBR-LBPRGKRZSA-N 2 1 383.474 -0.941 20 0 GBADMP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648476 1072162079 /nfs/dbraw/zinc/16/20/79/1072162079.db2.gz ZDOLTRVRTSZDBR-LBPRGKRZSA-N 2 1 383.474 -0.941 20 0 GBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648900 1072161344 /nfs/dbraw/zinc/16/13/44/1072161344.db2.gz RJWCOILFZAYYOI-DLBZAZTESA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648900 1072161340 /nfs/dbraw/zinc/16/13/40/1072161340.db2.gz RJWCOILFZAYYOI-DLBZAZTESA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648903 1072161144 /nfs/dbraw/zinc/16/11/44/1072161144.db2.gz RJWCOILFZAYYOI-IAGOWNOFSA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648903 1072161141 /nfs/dbraw/zinc/16/11/41/1072161141.db2.gz RJWCOILFZAYYOI-IAGOWNOFSA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648906 1072161222 /nfs/dbraw/zinc/16/12/22/1072161222.db2.gz RJWCOILFZAYYOI-IRXDYDNUSA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648906 1072161217 /nfs/dbraw/zinc/16/12/17/1072161217.db2.gz RJWCOILFZAYYOI-IRXDYDNUSA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648908 1072160945 /nfs/dbraw/zinc/16/09/45/1072160945.db2.gz RJWCOILFZAYYOI-SJORKVTESA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(=O)N1CCCCC1 ZINC000430648908 1072160939 /nfs/dbraw/zinc/16/09/39/1072160939.db2.gz RJWCOILFZAYYOI-SJORKVTESA-N 2 1 393.532 -0.353 20 0 GBADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430649865 1072161459 /nfs/dbraw/zinc/16/14/59/1072161459.db2.gz TZVNGTIUVIQUNH-LLVKDONJSA-N 2 1 379.383 -0.482 20 0 GBADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430649866 1072161271 /nfs/dbraw/zinc/16/12/71/1072161271.db2.gz TZVNGTIUVIQUNH-NSHDSACASA-N 2 1 379.383 -0.482 20 0 GBADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652138 1072166858 /nfs/dbraw/zinc/16/68/58/1072166858.db2.gz XETZLORJSVGLFK-GDBMZVCRSA-N 2 1 379.505 -0.757 20 0 GBADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652141 1072166942 /nfs/dbraw/zinc/16/69/42/1072166942.db2.gz XETZLORJSVGLFK-GOEBONIOSA-N 2 1 379.505 -0.757 20 0 GBADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652143 1072167205 /nfs/dbraw/zinc/16/72/05/1072167205.db2.gz XETZLORJSVGLFK-HOCLYGCPSA-N 2 1 379.505 -0.757 20 0 GBADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652146 1072167064 /nfs/dbraw/zinc/16/70/64/1072167064.db2.gz XETZLORJSVGLFK-ZBFHGGJFSA-N 2 1 379.505 -0.757 20 0 GBADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430668668 1072187905 /nfs/dbraw/zinc/18/79/05/1072187905.db2.gz RUDVNKVLNVQVEX-GFCCVEGCSA-N 2 1 383.474 -0.941 20 0 GBADMP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430668668 1072187900 /nfs/dbraw/zinc/18/79/00/1072187900.db2.gz RUDVNKVLNVQVEX-GFCCVEGCSA-N 2 1 383.474 -0.941 20 0 GBADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430668671 1072187764 /nfs/dbraw/zinc/18/77/64/1072187764.db2.gz RUDVNKVLNVQVEX-LBPRGKRZSA-N 2 1 383.474 -0.941 20 0 GBADMP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430668671 1072187759 /nfs/dbraw/zinc/18/77/59/1072187759.db2.gz RUDVNKVLNVQVEX-LBPRGKRZSA-N 2 1 383.474 -0.941 20 0 GBADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)COC2C[NH2+]C2)c1 ZINC000430740619 1072212958 /nfs/dbraw/zinc/21/29/58/1072212958.db2.gz QMAGHRCULZEHIU-UHFFFAOYSA-N 2 1 376.457 -0.048 20 0 GBADMP COCC[C@]1(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)CC[NH2+]C1 ZINC000430868735 1072217895 /nfs/dbraw/zinc/21/78/95/1072217895.db2.gz WGPFKAOTZYHSNE-GOSISDBHSA-N 2 1 378.477 -0.388 20 0 GBADMP COCC[C@@]1(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)CC[NH2+]C1 ZINC000430868738 1072218243 /nfs/dbraw/zinc/21/82/43/1072218243.db2.gz WGPFKAOTZYHSNE-SFHVURJKSA-N 2 1 378.477 -0.388 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430873242 1072219193 /nfs/dbraw/zinc/21/91/93/1072219193.db2.gz QOAFJUAHWKRSEH-INIZCTEOSA-N 2 1 377.493 -0.125 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430873243 1072218881 /nfs/dbraw/zinc/21/88/81/1072218881.db2.gz QOAFJUAHWKRSEH-MRXNPFEDSA-N 2 1 377.493 -0.125 20 0 GBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430928135 1072221528 /nfs/dbraw/zinc/22/15/28/1072221528.db2.gz KLTOJCCKCMCRFX-AWEZNQCLSA-N 2 1 384.477 -0.061 20 0 GBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430928135 1072221524 /nfs/dbraw/zinc/22/15/24/1072221524.db2.gz KLTOJCCKCMCRFX-AWEZNQCLSA-N 2 1 384.477 -0.061 20 0 GBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430928138 1072221446 /nfs/dbraw/zinc/22/14/46/1072221446.db2.gz KLTOJCCKCMCRFX-CQSZACIVSA-N 2 1 384.477 -0.061 20 0 GBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000430928138 1072221440 /nfs/dbraw/zinc/22/14/40/1072221440.db2.gz KLTOJCCKCMCRFX-CQSZACIVSA-N 2 1 384.477 -0.061 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430938348 1072222634 /nfs/dbraw/zinc/22/26/34/1072222634.db2.gz BKYGTMINGRZSOR-AWEZNQCLSA-N 2 1 385.490 -0.595 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430938348 1072222629 /nfs/dbraw/zinc/22/26/29/1072222629.db2.gz BKYGTMINGRZSOR-AWEZNQCLSA-N 2 1 385.490 -0.595 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430938349 1072222420 /nfs/dbraw/zinc/22/24/20/1072222420.db2.gz BKYGTMINGRZSOR-CQSZACIVSA-N 2 1 385.490 -0.595 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430938349 1072222411 /nfs/dbraw/zinc/22/24/11/1072222411.db2.gz BKYGTMINGRZSOR-CQSZACIVSA-N 2 1 385.490 -0.595 20 0 GBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960039 1072225256 /nfs/dbraw/zinc/22/52/56/1072225256.db2.gz GKUWXUWDOQGBKA-KRWDZBQOSA-N 2 1 380.514 -0.059 20 0 GBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960039 1072225244 /nfs/dbraw/zinc/22/52/44/1072225244.db2.gz GKUWXUWDOQGBKA-KRWDZBQOSA-N 2 1 380.514 -0.059 20 0 GBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960040 1072224913 /nfs/dbraw/zinc/22/49/13/1072224913.db2.gz GKUWXUWDOQGBKA-QGZVFWFLSA-N 2 1 380.514 -0.059 20 0 GBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430960040 1072224906 /nfs/dbraw/zinc/22/49/06/1072224906.db2.gz GKUWXUWDOQGBKA-QGZVFWFLSA-N 2 1 380.514 -0.059 20 0 GBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430963227 1072226134 /nfs/dbraw/zinc/22/61/34/1072226134.db2.gz SWZYBTJCUXRNFL-CRAIPNDOSA-N 2 1 388.468 -0.222 20 0 GBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430963227 1072226131 /nfs/dbraw/zinc/22/61/31/1072226131.db2.gz SWZYBTJCUXRNFL-CRAIPNDOSA-N 2 1 388.468 -0.222 20 0 GBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430963228 1072226022 /nfs/dbraw/zinc/22/60/22/1072226022.db2.gz SWZYBTJCUXRNFL-MAUKXSAKSA-N 2 1 388.468 -0.222 20 0 GBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430963228 1072226016 /nfs/dbraw/zinc/22/60/16/1072226016.db2.gz SWZYBTJCUXRNFL-MAUKXSAKSA-N 2 1 388.468 -0.222 20 0 GBADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430963229 1072226043 /nfs/dbraw/zinc/22/60/43/1072226043.db2.gz SWZYBTJCUXRNFL-QAPCUYQASA-N 2 1 388.468 -0.222 20 0 GBADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430963229 1072226039 /nfs/dbraw/zinc/22/60/39/1072226039.db2.gz SWZYBTJCUXRNFL-QAPCUYQASA-N 2 1 388.468 -0.222 20 0 GBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430963230 1072226085 /nfs/dbraw/zinc/22/60/85/1072226085.db2.gz SWZYBTJCUXRNFL-YJBOKZPZSA-N 2 1 388.468 -0.222 20 0 GBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430963230 1072226082 /nfs/dbraw/zinc/22/60/82/1072226082.db2.gz SWZYBTJCUXRNFL-YJBOKZPZSA-N 2 1 388.468 -0.222 20 0 GBADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000431022698 1072234112 /nfs/dbraw/zinc/23/41/12/1072234112.db2.gz DXGIFQNFPOFPTB-INIZCTEOSA-N 2 1 384.546 -0.607 20 0 GBADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000431022699 1072233893 /nfs/dbraw/zinc/23/38/93/1072233893.db2.gz DXGIFQNFPOFPTB-MRXNPFEDSA-N 2 1 384.546 -0.607 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000431027836 1072233721 /nfs/dbraw/zinc/23/37/21/1072233721.db2.gz LCBKUIYGIMGLFG-UHFFFAOYSA-N 2 1 399.503 -0.065 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431822700 1072940505 /nfs/dbraw/zinc/94/05/05/1072940505.db2.gz OEEDXUKJJZUBLN-UHFFFAOYSA-N 2 1 396.536 -0.512 20 0 GBADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000432534477 1073668923 /nfs/dbraw/zinc/66/89/23/1073668923.db2.gz FMVYUCDSUPDXSE-DLBZAZTESA-N 2 1 376.457 -0.314 20 0 GBADMP Cc1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@H+]2CCCOCC2)n1 ZINC000432819176 1073767860 /nfs/dbraw/zinc/76/78/60/1073767860.db2.gz NYRQFXKSFUPIQZ-UHFFFAOYSA-N 2 1 379.509 -0.708 20 0 GBADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCCN2CCC([NH3+])CC2)cn1 ZINC000433165948 1073888096 /nfs/dbraw/zinc/88/80/96/1073888096.db2.gz WKDBDFSUVUFTJX-UHFFFAOYSA-N 2 1 379.509 -0.297 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433640720 1073958574 /nfs/dbraw/zinc/95/85/74/1073958574.db2.gz VXFOUUPYSCCHCB-HNNXBMFYSA-N 2 1 380.493 0.000 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433640721 1073958104 /nfs/dbraw/zinc/95/81/04/1073958104.db2.gz VXFOUUPYSCCHCB-OAHLLOKOSA-N 2 1 380.493 0.000 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101613 530381004 /nfs/dbraw/zinc/38/10/04/530381004.db2.gz JLUFCFAQMACPGD-HNNXBMFYSA-N 2 1 398.595 -0.397 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101613 530381002 /nfs/dbraw/zinc/38/10/02/530381002.db2.gz JLUFCFAQMACPGD-HNNXBMFYSA-N 2 1 398.595 -0.397 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101614 530380773 /nfs/dbraw/zinc/38/07/73/530380773.db2.gz JLUFCFAQMACPGD-OAHLLOKOSA-N 2 1 398.595 -0.397 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCNS(=O)(=O)CC ZINC000434101614 530380770 /nfs/dbraw/zinc/38/07/70/530380770.db2.gz JLUFCFAQMACPGD-OAHLLOKOSA-N 2 1 398.595 -0.397 20 0 GBADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C(=O)N(C)C)C1 ZINC000434250939 1072617140 /nfs/dbraw/zinc/61/71/40/1072617140.db2.gz TZJSFBQDXOWQQT-INIZCTEOSA-N 2 1 383.537 -0.206 20 0 GBADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C(=O)N(C)C)C1 ZINC000434250939 1072617135 /nfs/dbraw/zinc/61/71/35/1072617135.db2.gz TZJSFBQDXOWQQT-INIZCTEOSA-N 2 1 383.537 -0.206 20 0 GBADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(=O)N(C)C ZINC000434250939 1072617131 /nfs/dbraw/zinc/61/71/31/1072617131.db2.gz TZJSFBQDXOWQQT-INIZCTEOSA-N 2 1 383.537 -0.206 20 0 GBADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C(=O)N(C)C)C1 ZINC000434250940 1072617026 /nfs/dbraw/zinc/61/70/26/1072617026.db2.gz TZJSFBQDXOWQQT-MRXNPFEDSA-N 2 1 383.537 -0.206 20 0 GBADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C(=O)N(C)C)C1 ZINC000434250940 1072617023 /nfs/dbraw/zinc/61/70/23/1072617023.db2.gz TZJSFBQDXOWQQT-MRXNPFEDSA-N 2 1 383.537 -0.206 20 0 GBADMP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(=O)N(C)C ZINC000434250940 1072617020 /nfs/dbraw/zinc/61/70/20/1072617020.db2.gz TZJSFBQDXOWQQT-MRXNPFEDSA-N 2 1 383.537 -0.206 20 0 GBADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C(=O)N(C)C)C1 ZINC000434251338 1072616818 /nfs/dbraw/zinc/61/68/18/1072616818.db2.gz VRSCTKMESWHXFJ-INIZCTEOSA-N 2 1 383.537 -0.202 20 0 GBADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@H](C(=O)N(C)C)C1 ZINC000434251338 1072616817 /nfs/dbraw/zinc/61/68/17/1072616817.db2.gz VRSCTKMESWHXFJ-INIZCTEOSA-N 2 1 383.537 -0.202 20 0 GBADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C(=O)N(C)C ZINC000434251338 1072616815 /nfs/dbraw/zinc/61/68/15/1072616815.db2.gz VRSCTKMESWHXFJ-INIZCTEOSA-N 2 1 383.537 -0.202 20 0 GBADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C(=O)N(C)C)C1 ZINC000434251339 1072616804 /nfs/dbraw/zinc/61/68/04/1072616804.db2.gz VRSCTKMESWHXFJ-MRXNPFEDSA-N 2 1 383.537 -0.202 20 0 GBADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C(=O)N(C)C)C1 ZINC000434251339 1072616803 /nfs/dbraw/zinc/61/68/03/1072616803.db2.gz VRSCTKMESWHXFJ-MRXNPFEDSA-N 2 1 383.537 -0.202 20 0 GBADMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C(=O)N(C)C ZINC000434251339 1072616800 /nfs/dbraw/zinc/61/68/00/1072616800.db2.gz VRSCTKMESWHXFJ-MRXNPFEDSA-N 2 1 383.537 -0.202 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434414367 1072622509 /nfs/dbraw/zinc/62/25/09/1072622509.db2.gz CNKPRGWANKKUKV-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434414368 1072621940 /nfs/dbraw/zinc/62/19/40/1072621940.db2.gz CNKPRGWANKKUKV-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434414369 1072621842 /nfs/dbraw/zinc/62/18/42/1072621842.db2.gz CNKPRGWANKKUKV-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434414370 1072622516 /nfs/dbraw/zinc/62/25/16/1072622516.db2.gz CNKPRGWANKKUKV-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC[NH+](C)C)n2)c1C ZINC000434595356 1072633428 /nfs/dbraw/zinc/63/34/28/1072633428.db2.gz HVJUBKHGCRJOAK-UHFFFAOYSA-N 2 1 375.433 -0.037 20 0 GBADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434598765 1072633674 /nfs/dbraw/zinc/63/36/74/1072633674.db2.gz VSYCQRNUQBIVMS-UHFFFAOYSA-N 2 1 389.460 0.353 20 0 GBADMP CC[N@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434598765 1072633656 /nfs/dbraw/zinc/63/36/56/1072633656.db2.gz VSYCQRNUQBIVMS-UHFFFAOYSA-N 2 1 389.460 0.353 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCCC[NH+](C)C)n2)c1C ZINC000434660311 1072637610 /nfs/dbraw/zinc/63/76/10/1072637610.db2.gz CDMDRFCWDMWLSK-UHFFFAOYSA-N 2 1 389.460 0.353 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)n2)c1C ZINC000434718324 1072641235 /nfs/dbraw/zinc/64/12/35/1072641235.db2.gz MNJPNNKFDPZQSP-GFCCVEGCSA-N 2 1 389.460 0.352 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)n2)c1C ZINC000434718325 1072641455 /nfs/dbraw/zinc/64/14/55/1072641455.db2.gz MNJPNNKFDPZQSP-LBPRGKRZSA-N 2 1 389.460 0.352 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)CC[NH+](C)C)n2)c1C ZINC000434963820 1072654922 /nfs/dbraw/zinc/65/49/22/1072654922.db2.gz TZPAYSDZZZTBIO-UHFFFAOYSA-N 2 1 389.460 0.305 20 0 GBADMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OCC(N)=O ZINC000435376747 1072691170 /nfs/dbraw/zinc/69/11/70/1072691170.db2.gz UKQXQPJNOKLITB-AWEZNQCLSA-N 2 1 394.472 -0.145 20 0 GBADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OCC(N)=O ZINC000435376748 1072691317 /nfs/dbraw/zinc/69/13/17/1072691317.db2.gz UKQXQPJNOKLITB-CQSZACIVSA-N 2 1 394.472 -0.145 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053136 1072730840 /nfs/dbraw/zinc/73/08/40/1072730840.db2.gz NUMXQXDXZKGLCW-MSOLQXFVSA-N 2 1 397.564 -0.221 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053137 1072730981 /nfs/dbraw/zinc/73/09/81/1072730981.db2.gz NUMXQXDXZKGLCW-QZTJIDSGSA-N 2 1 397.564 -0.221 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053138 1072731127 /nfs/dbraw/zinc/73/11/27/1072731127.db2.gz NUMXQXDXZKGLCW-ROUUACIJSA-N 2 1 397.564 -0.221 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053139 1072731244 /nfs/dbraw/zinc/73/12/44/1072731244.db2.gz NUMXQXDXZKGLCW-ZWKOTPCHSA-N 2 1 397.564 -0.221 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000436068301 1072730977 /nfs/dbraw/zinc/73/09/77/1072730977.db2.gz VVWBPNQUMUWQCN-INIZCTEOSA-N 2 1 379.505 -0.613 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000436068301 1072730975 /nfs/dbraw/zinc/73/09/75/1072730975.db2.gz VVWBPNQUMUWQCN-INIZCTEOSA-N 2 1 379.505 -0.613 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000436068316 1072731011 /nfs/dbraw/zinc/73/10/11/1072731011.db2.gz VVWBPNQUMUWQCN-MRXNPFEDSA-N 2 1 379.505 -0.613 20 0 GBADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000436068316 1072731009 /nfs/dbraw/zinc/73/10/09/1072731009.db2.gz VVWBPNQUMUWQCN-MRXNPFEDSA-N 2 1 379.505 -0.613 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000436140710 1072732856 /nfs/dbraw/zinc/73/28/56/1072732856.db2.gz KVGBTWVRZRFVHW-GOSISDBHSA-N 2 1 399.580 -0.137 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000436140711 1072732509 /nfs/dbraw/zinc/73/25/09/1072732509.db2.gz KVGBTWVRZRFVHW-SFHVURJKSA-N 2 1 399.580 -0.137 20 0 GBADMP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1CC(C)(C)O ZINC000436147938 1072733344 /nfs/dbraw/zinc/73/33/44/1072733344.db2.gz DUXTUJKXOGQMBB-GOSISDBHSA-N 2 1 399.580 -0.137 20 0 GBADMP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1CC(C)(C)O ZINC000436147939 1072733754 /nfs/dbraw/zinc/73/37/54/1072733754.db2.gz DUXTUJKXOGQMBB-SFHVURJKSA-N 2 1 399.580 -0.137 20 0 GBADMP CN(C)c1ncncc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000437433206 1072816425 /nfs/dbraw/zinc/81/64/25/1072816425.db2.gz QXLDTEBEVUTXOY-UHFFFAOYSA-N 2 1 377.493 -0.035 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438309596 1072877523 /nfs/dbraw/zinc/87/75/23/1072877523.db2.gz ZEOKIJPKXFDWGM-INIZCTEOSA-N 2 1 380.493 0.448 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438309597 1072878181 /nfs/dbraw/zinc/87/81/81/1072878181.db2.gz ZEOKIJPKXFDWGM-MRXNPFEDSA-N 2 1 380.493 0.448 20 0 GBADMP C[C@@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000438330294 1072879027 /nfs/dbraw/zinc/87/90/27/1072879027.db2.gz YOMIRGCPQWWMLR-INIZCTEOSA-N 2 1 380.493 0.305 20 0 GBADMP C[C@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000438330295 1072878645 /nfs/dbraw/zinc/87/86/45/1072878645.db2.gz YOMIRGCPQWWMLR-MRXNPFEDSA-N 2 1 380.493 0.305 20 0 GBADMP O=C(CCCC(=O)NCC[N@H+]1CCCOCC1)NCC[NH+]1CCCOCC1 ZINC000438674395 1072902785 /nfs/dbraw/zinc/90/27/85/1072902785.db2.gz PUQPJQCSPFATTG-UHFFFAOYSA-N 2 1 384.521 -0.166 20 0 GBADMP O=C(NCC[NH+]1CCCOCC1)C1(C(=O)NCC[N@H+]2CCCOCC2)CCC1 ZINC000438684647 1072902741 /nfs/dbraw/zinc/90/27/41/1072902741.db2.gz YNDDFYUIEUPJQT-UHFFFAOYSA-N 2 1 396.532 -0.166 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438714690 1072905077 /nfs/dbraw/zinc/90/50/77/1072905077.db2.gz MKRFLGJBUFLOMR-HNNXBMFYSA-N 2 1 379.509 0.509 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438714691 1072905303 /nfs/dbraw/zinc/90/53/03/1072905303.db2.gz MKRFLGJBUFLOMR-OAHLLOKOSA-N 2 1 379.509 0.509 20 0 GBADMP O=C(C[NH+](CCO)C1CCC1)N1CCN(C(=O)C[N@H+](CCO)C2CCC2)CC1 ZINC000439290380 1072940601 /nfs/dbraw/zinc/94/06/01/1072940601.db2.gz WTTJOTKOPJSOCG-UHFFFAOYSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439345879 1072945547 /nfs/dbraw/zinc/94/55/47/1072945547.db2.gz GWOHSASEKVGNBF-AWEZNQCLSA-N 2 1 393.492 -0.948 20 0 GBADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439345884 1072945300 /nfs/dbraw/zinc/94/53/00/1072945300.db2.gz GWOHSASEKVGNBF-CQSZACIVSA-N 2 1 393.492 -0.948 20 0 GBADMP CN(C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000439591420 1072959298 /nfs/dbraw/zinc/95/92/98/1072959298.db2.gz TZAHBVAUWHSEJQ-KRWDZBQOSA-N 2 1 390.488 -0.151 20 0 GBADMP CN(C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000439591420 1072959291 /nfs/dbraw/zinc/95/92/91/1072959291.db2.gz TZAHBVAUWHSEJQ-KRWDZBQOSA-N 2 1 390.488 -0.151 20 0 GBADMP CN(C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000439591422 1072958998 /nfs/dbraw/zinc/95/89/98/1072958998.db2.gz TZAHBVAUWHSEJQ-QGZVFWFLSA-N 2 1 390.488 -0.151 20 0 GBADMP CN(C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000439591422 1072958984 /nfs/dbraw/zinc/95/89/84/1072958984.db2.gz TZAHBVAUWHSEJQ-QGZVFWFLSA-N 2 1 390.488 -0.151 20 0 GBADMP Cn1ccc(N2CCC[C@H]([NH2+]CCCCN3CC[NH+](CCO)CC3)C2=O)n1 ZINC000439594285 1072958512 /nfs/dbraw/zinc/95/85/12/1072958512.db2.gz WTNZHTULNJINBP-KRWDZBQOSA-N 2 1 378.521 -0.105 20 0 GBADMP Cn1ccc(N2CCC[C@@H]([NH2+]CCCCN3CC[NH+](CCO)CC3)C2=O)n1 ZINC000439594286 1072958145 /nfs/dbraw/zinc/95/81/45/1072958145.db2.gz WTNZHTULNJINBP-QGZVFWFLSA-N 2 1 378.521 -0.105 20 0 GBADMP Cn1cc(N2CCC[C@@H]([NH2+]CCCCN3CC[NH+](CCO)CC3)C2=O)cn1 ZINC000439596336 1072958458 /nfs/dbraw/zinc/95/84/58/1072958458.db2.gz ZHDCCJQNRBPTQL-GOSISDBHSA-N 2 1 378.521 -0.105 20 0 GBADMP Cn1cc(N2CCC[C@H]([NH2+]CCCCN3CC[NH+](CCO)CC3)C2=O)cn1 ZINC000439596337 1072958201 /nfs/dbraw/zinc/95/82/01/1072958201.db2.gz ZHDCCJQNRBPTQL-SFHVURJKSA-N 2 1 378.521 -0.105 20 0 GBADMP C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000439646887 1072962390 /nfs/dbraw/zinc/96/23/90/1072962390.db2.gz WMIVBJMYPANMLB-UHFFFAOYSA-N 2 1 378.473 -0.030 20 0 GBADMP C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000439646887 1072962386 /nfs/dbraw/zinc/96/23/86/1072962386.db2.gz WMIVBJMYPANMLB-UHFFFAOYSA-N 2 1 378.473 -0.030 20 0 GBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000440992550 1073103493 /nfs/dbraw/zinc/10/34/93/1073103493.db2.gz ZHXSOHYOAGDMKI-INIZCTEOSA-N 2 1 382.553 -0.101 20 0 GBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000440992550 1073103490 /nfs/dbraw/zinc/10/34/90/1073103490.db2.gz ZHXSOHYOAGDMKI-INIZCTEOSA-N 2 1 382.553 -0.101 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000440992550 1073103487 /nfs/dbraw/zinc/10/34/87/1073103487.db2.gz ZHXSOHYOAGDMKI-INIZCTEOSA-N 2 1 382.553 -0.101 20 0 GBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000440992558 1073103138 /nfs/dbraw/zinc/10/31/38/1073103138.db2.gz ZHXSOHYOAGDMKI-MRXNPFEDSA-N 2 1 382.553 -0.101 20 0 GBADMP C[NH+]1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000440992558 1073103130 /nfs/dbraw/zinc/10/31/30/1073103130.db2.gz ZHXSOHYOAGDMKI-MRXNPFEDSA-N 2 1 382.553 -0.101 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000440992558 1073103127 /nfs/dbraw/zinc/10/31/27/1073103127.db2.gz ZHXSOHYOAGDMKI-MRXNPFEDSA-N 2 1 382.553 -0.101 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000441000923 1073103938 /nfs/dbraw/zinc/10/39/38/1073103938.db2.gz RMQYRCYTVQUZCH-UHFFFAOYSA-N 2 1 382.553 -0.136 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000441000923 1073103935 /nfs/dbraw/zinc/10/39/35/1073103935.db2.gz RMQYRCYTVQUZCH-UHFFFAOYSA-N 2 1 382.553 -0.136 20 0 GBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000441600002 1073184227 /nfs/dbraw/zinc/18/42/27/1073184227.db2.gz QYMSHPZOWPAYMV-UHFFFAOYSA-N 2 1 394.520 0.200 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1(C)C ZINC000441671384 1073191913 /nfs/dbraw/zinc/19/19/13/1073191913.db2.gz PEBKQLBIUDESQC-UHFFFAOYSA-N 2 1 393.536 0.363 20 0 GBADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000441922068 1073233548 /nfs/dbraw/zinc/23/35/48/1073233548.db2.gz LLHBUMGREAPTSQ-UHFFFAOYSA-N 2 1 378.477 -0.294 20 0 GBADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442027157 1073240521 /nfs/dbraw/zinc/24/05/21/1073240521.db2.gz OCFKEFWMFBANKQ-IBGZPJMESA-N 2 1 378.473 -0.114 20 0 GBADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442027160 1073240644 /nfs/dbraw/zinc/24/06/44/1073240644.db2.gz OCFKEFWMFBANKQ-LJQANCHMSA-N 2 1 378.473 -0.114 20 0 GBADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442032868 1073242135 /nfs/dbraw/zinc/24/21/35/1073242135.db2.gz OQHPMFGTBBQYKD-FQEVSTJZSA-N 2 1 392.500 -0.071 20 0 GBADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442032875 1073242066 /nfs/dbraw/zinc/24/20/66/1073242066.db2.gz OQHPMFGTBBQYKD-HXUWFJFHSA-N 2 1 392.500 -0.071 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442084143 1073244269 /nfs/dbraw/zinc/24/42/69/1073244269.db2.gz SYMPQYFZBKAGGR-AWEZNQCLSA-N 2 1 380.493 -0.313 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442084143 1073244263 /nfs/dbraw/zinc/24/42/63/1073244263.db2.gz SYMPQYFZBKAGGR-AWEZNQCLSA-N 2 1 380.493 -0.313 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442084148 1073243856 /nfs/dbraw/zinc/24/38/56/1073243856.db2.gz SYMPQYFZBKAGGR-CQSZACIVSA-N 2 1 380.493 -0.313 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000442084148 1073243842 /nfs/dbraw/zinc/24/38/42/1073243842.db2.gz SYMPQYFZBKAGGR-CQSZACIVSA-N 2 1 380.493 -0.313 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1(C)C ZINC000442170376 1073247144 /nfs/dbraw/zinc/24/71/44/1073247144.db2.gz LXKFABOBLZYPIA-UHFFFAOYSA-N 2 1 398.596 -0.298 20 0 GBADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442264447 1073253230 /nfs/dbraw/zinc/25/32/30/1073253230.db2.gz FSIAECSEZBEARB-KBPBESRZSA-N 2 1 393.492 -0.950 20 0 GBADMP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442264447 1073253228 /nfs/dbraw/zinc/25/32/28/1073253228.db2.gz FSIAECSEZBEARB-KBPBESRZSA-N 2 1 393.492 -0.950 20 0 GBADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000442264453 1073253213 /nfs/dbraw/zinc/25/32/13/1073253213.db2.gz FSIAECSEZBEARB-KGLIPLIRSA-N 2 1 393.492 -0.950 20 0 GBADMP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[N@H+]1C ZINC000442264453 1073253210 /nfs/dbraw/zinc/25/32/10/1073253210.db2.gz FSIAECSEZBEARB-KGLIPLIRSA-N 2 1 393.492 -0.950 20 0 GBADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442264455 1073253051 /nfs/dbraw/zinc/25/30/51/1073253051.db2.gz FSIAECSEZBEARB-UONOGXRCSA-N 2 1 393.492 -0.950 20 0 GBADMP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442264455 1073253042 /nfs/dbraw/zinc/25/30/42/1073253042.db2.gz FSIAECSEZBEARB-UONOGXRCSA-N 2 1 393.492 -0.950 20 0 GBADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442264456 1073253111 /nfs/dbraw/zinc/25/31/11/1073253111.db2.gz FSIAECSEZBEARB-ZIAGYGMSSA-N 2 1 393.492 -0.950 20 0 GBADMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442264456 1073253105 /nfs/dbraw/zinc/25/31/05/1073253105.db2.gz FSIAECSEZBEARB-ZIAGYGMSSA-N 2 1 393.492 -0.950 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000442759329 1073273020 /nfs/dbraw/zinc/27/30/20/1073273020.db2.gz DLYWWSPTKOWQDT-DOMZBBRYSA-N 2 1 399.517 -0.207 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000442759329 1073273013 /nfs/dbraw/zinc/27/30/13/1073273013.db2.gz DLYWWSPTKOWQDT-DOMZBBRYSA-N 2 1 399.517 -0.207 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000442759333 1073272661 /nfs/dbraw/zinc/27/26/61/1073272661.db2.gz DLYWWSPTKOWQDT-IUODEOHRSA-N 2 1 399.517 -0.207 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000442759333 1073272654 /nfs/dbraw/zinc/27/26/54/1073272654.db2.gz DLYWWSPTKOWQDT-IUODEOHRSA-N 2 1 399.517 -0.207 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442759336 1073272833 /nfs/dbraw/zinc/27/28/33/1073272833.db2.gz DLYWWSPTKOWQDT-SWLSCSKDSA-N 2 1 399.517 -0.207 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442759336 1073272826 /nfs/dbraw/zinc/27/28/26/1073272826.db2.gz DLYWWSPTKOWQDT-SWLSCSKDSA-N 2 1 399.517 -0.207 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442759338 1073272926 /nfs/dbraw/zinc/27/29/26/1073272926.db2.gz DLYWWSPTKOWQDT-WFASDCNBSA-N 2 1 399.517 -0.207 20 0 GBADMP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442759338 1073272925 /nfs/dbraw/zinc/27/29/25/1073272925.db2.gz DLYWWSPTKOWQDT-WFASDCNBSA-N 2 1 399.517 -0.207 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000442880837 1073275074 /nfs/dbraw/zinc/27/50/74/1073275074.db2.gz GDVVOBHQOVADDK-FZDBZEDMSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000442880837 1073275070 /nfs/dbraw/zinc/27/50/70/1073275070.db2.gz GDVVOBHQOVADDK-FZDBZEDMSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000442880837 1073275062 /nfs/dbraw/zinc/27/50/62/1073275062.db2.gz GDVVOBHQOVADDK-FZDBZEDMSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000442880838 1073275095 /nfs/dbraw/zinc/27/50/95/1073275095.db2.gz GDVVOBHQOVADDK-MHORFTMASA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000442880838 1073275093 /nfs/dbraw/zinc/27/50/93/1073275093.db2.gz GDVVOBHQOVADDK-MHORFTMASA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000442880838 1073275087 /nfs/dbraw/zinc/27/50/87/1073275087.db2.gz GDVVOBHQOVADDK-MHORFTMASA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000442880839 1073275653 /nfs/dbraw/zinc/27/56/53/1073275653.db2.gz GDVVOBHQOVADDK-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000442880839 1073275649 /nfs/dbraw/zinc/27/56/49/1073275649.db2.gz GDVVOBHQOVADDK-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000442880839 1073275646 /nfs/dbraw/zinc/27/56/46/1073275646.db2.gz GDVVOBHQOVADDK-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000442880840 1073275986 /nfs/dbraw/zinc/27/59/86/1073275986.db2.gz GDVVOBHQOVADDK-XMTFNYHQSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000442880840 1073275982 /nfs/dbraw/zinc/27/59/82/1073275982.db2.gz GDVVOBHQOVADDK-XMTFNYHQSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000442880840 1073275976 /nfs/dbraw/zinc/27/59/76/1073275976.db2.gz GDVVOBHQOVADDK-XMTFNYHQSA-N 2 1 396.532 -0.937 20 0 GBADMP COCCNc1nc(N2CC[NH+](C)C[C@@H]2C)nc(N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000443441832 1073296043 /nfs/dbraw/zinc/29/60/43/1073296043.db2.gz KWFQBIOCOFNRSE-GJZGRUSLSA-N 2 1 378.525 -0.368 20 0 GBADMP COCCNc1nc(N2CC[NH+](C)C[C@@H]2C)nc(N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000443441832 1073296037 /nfs/dbraw/zinc/29/60/37/1073296037.db2.gz KWFQBIOCOFNRSE-GJZGRUSLSA-N 2 1 378.525 -0.368 20 0 GBADMP COCCNc1nc(N2CC[NH+](C)C[C@H]2C)nc(N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000443441833 1073295865 /nfs/dbraw/zinc/29/58/65/1073295865.db2.gz KWFQBIOCOFNRSE-HUUCEWRRSA-N 2 1 378.525 -0.368 20 0 GBADMP COCCNc1nc(N2CC[NH+](C)C[C@H]2C)nc(N2CC[N@H+](C)C[C@H]2C)n1 ZINC000443441833 1073295858 /nfs/dbraw/zinc/29/58/58/1073295858.db2.gz KWFQBIOCOFNRSE-HUUCEWRRSA-N 2 1 378.525 -0.368 20 0 GBADMP C[C@H]1C[NH+](C)CCN1c1nc(N2CCOCC2)nc(N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000443443515 1073295940 /nfs/dbraw/zinc/29/59/40/1073295940.db2.gz NKXOAHFJVPXWPP-HOTGVXAUSA-N 2 1 390.536 -0.011 20 0 GBADMP C[C@H]1C[NH+](C)CCN1c1nc(N2CCOCC2)nc(N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000443443515 1073295936 /nfs/dbraw/zinc/29/59/36/1073295936.db2.gz NKXOAHFJVPXWPP-HOTGVXAUSA-N 2 1 390.536 -0.011 20 0 GBADMP C[C@@H]1C[NH+](C)CCN1c1nc(N2CCOCC2)nc(N2CC[N@H+](C)C[C@H]2C)n1 ZINC000443443518 1073296333 /nfs/dbraw/zinc/29/63/33/1073296333.db2.gz NKXOAHFJVPXWPP-HZPDHXFCSA-N 2 1 390.536 -0.011 20 0 GBADMP C[C@@H]1C[NH+](C)CCN1c1nc(N2CCOCC2)nc(N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000443443518 1073296325 /nfs/dbraw/zinc/29/63/25/1073296325.db2.gz NKXOAHFJVPXWPP-HZPDHXFCSA-N 2 1 390.536 -0.011 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000445195458 1073566355 /nfs/dbraw/zinc/56/63/55/1073566355.db2.gz VIFGROUWMWMRPZ-AWEZNQCLSA-N 2 1 380.493 -0.313 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000445195458 1073566349 /nfs/dbraw/zinc/56/63/49/1073566349.db2.gz VIFGROUWMWMRPZ-AWEZNQCLSA-N 2 1 380.493 -0.313 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000445195472 1073565895 /nfs/dbraw/zinc/56/58/95/1073565895.db2.gz VIFGROUWMWMRPZ-CQSZACIVSA-N 2 1 380.493 -0.313 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000445195472 1073565890 /nfs/dbraw/zinc/56/58/90/1073565890.db2.gz VIFGROUWMWMRPZ-CQSZACIVSA-N 2 1 380.493 -0.313 20 0 GBADMP Cc1cnc(NCC[NH+]2CCCOCC2)nc1NCC[N@H+]1CCCOCC1 ZINC000445667200 1073579127 /nfs/dbraw/zinc/57/91/27/1073579127.db2.gz ZGPLNVPUWGDZOJ-UHFFFAOYSA-N 2 1 378.521 -0.103 20 0 GBADMP Cc1cnc(NCC[NH+]2CCCOCC2)nc1NCC[N@@H+]1CCCOCC1 ZINC000445667200 1073579121 /nfs/dbraw/zinc/57/91/21/1073579121.db2.gz ZGPLNVPUWGDZOJ-UHFFFAOYSA-N 2 1 378.521 -0.103 20 0 GBADMP Cc1cnc(NCC[N@H+]2CCCOCC2)nc1NCC[NH+]1CCCOCC1 ZINC000445667200 1073579112 /nfs/dbraw/zinc/57/91/12/1073579112.db2.gz ZGPLNVPUWGDZOJ-UHFFFAOYSA-N 2 1 378.521 -0.103 20 0 GBADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000446049663 1073592158 /nfs/dbraw/zinc/59/21/58/1073592158.db2.gz BPJPNXNYQSFLKV-FQEVSTJZSA-N 2 1 392.500 -0.071 20 0 GBADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000446049664 1073592004 /nfs/dbraw/zinc/59/20/04/1073592004.db2.gz BPJPNXNYQSFLKV-HXUWFJFHSA-N 2 1 392.500 -0.071 20 0 GBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)CC2(CO)CC2)CC1)CC1(CO)CC1 ZINC000446066092 1073592499 /nfs/dbraw/zinc/59/24/99/1073592499.db2.gz HWTXGBRTMUXKCX-UHFFFAOYSA-N 2 1 396.532 -0.934 20 0 GBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000446721357 1073617709 /nfs/dbraw/zinc/61/77/09/1073617709.db2.gz SRAYJZGRNNITNE-UHFFFAOYSA-N 2 1 378.477 -0.294 20 0 GBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000446741065 1073618825 /nfs/dbraw/zinc/61/88/25/1073618825.db2.gz JRSAVJCLQUGMCW-INIZCTEOSA-N 2 1 376.505 0.574 20 0 GBADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000446741066 1073618656 /nfs/dbraw/zinc/61/86/56/1073618656.db2.gz JRSAVJCLQUGMCW-MRXNPFEDSA-N 2 1 376.505 0.574 20 0 GBADMP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C(C)(C)C3)CC2)C[C@@H]1O ZINC000447869749 1073664949 /nfs/dbraw/zinc/66/49/49/1073664949.db2.gz ABBWNKIHTVLHJL-HOTGVXAUSA-N 2 1 396.532 -0.937 20 0 GBADMP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C(C)(C)C3)CC2)C[C@H]1O ZINC000447869750 1073665065 /nfs/dbraw/zinc/66/50/65/1073665065.db2.gz ABBWNKIHTVLHJL-HZPDHXFCSA-N 2 1 396.532 -0.937 20 0 GBADMP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C(C)(C)C3)CC2)C[C@@H]1O ZINC000447869751 1073664810 /nfs/dbraw/zinc/66/48/10/1073664810.db2.gz ABBWNKIHTVLHJL-IYBDPMFKSA-N 2 1 396.532 -0.937 20 0 GBADMP CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@@H](O)C(C)(C)C3)CC2)C[C@@H]1O ZINC000447869751 1073664801 /nfs/dbraw/zinc/66/48/01/1073664801.db2.gz ABBWNKIHTVLHJL-IYBDPMFKSA-N 2 1 396.532 -0.937 20 0 GBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000449853840 1073727593 /nfs/dbraw/zinc/72/75/93/1073727593.db2.gz WNMLHBRQIFCCEU-BRSBDYLESA-N 2 1 396.532 -0.458 20 0 GBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2[C@@H](C)[C@H]2C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000449853841 1073727182 /nfs/dbraw/zinc/72/71/82/1073727182.db2.gz WNMLHBRQIFCCEU-CWQOZTLDSA-N 2 1 396.532 -0.458 20 0 GBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2[C@@H](C)[C@H]2C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000449853841 1073727177 /nfs/dbraw/zinc/72/71/77/1073727177.db2.gz WNMLHBRQIFCCEU-CWQOZTLDSA-N 2 1 396.532 -0.458 20 0 GBADMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C)[C@H]2C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000449853841 1073727164 /nfs/dbraw/zinc/72/71/64/1073727164.db2.gz WNMLHBRQIFCCEU-CWQOZTLDSA-N 2 1 396.532 -0.458 20 0 GBADMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000449853842 1073727339 /nfs/dbraw/zinc/72/73/39/1073727339.db2.gz WNMLHBRQIFCCEU-WNRNVDISSA-N 2 1 396.532 -0.458 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000450885739 1073758480 /nfs/dbraw/zinc/75/84/80/1073758480.db2.gz DAGGELHUQHUDCY-QZTJIDSGSA-N 2 1 395.548 -0.548 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000450885739 1073758476 /nfs/dbraw/zinc/75/84/76/1073758476.db2.gz DAGGELHUQHUDCY-QZTJIDSGSA-N 2 1 395.548 -0.548 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@@H+]1C)CCN1CCOCC1 ZINC000450885739 1073758473 /nfs/dbraw/zinc/75/84/73/1073758473.db2.gz DAGGELHUQHUDCY-QZTJIDSGSA-N 2 1 395.548 -0.548 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000450885740 1073758258 /nfs/dbraw/zinc/75/82/58/1073758258.db2.gz DAGGELHUQHUDCY-ROUUACIJSA-N 2 1 395.548 -0.548 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000450885740 1073758249 /nfs/dbraw/zinc/75/82/49/1073758249.db2.gz DAGGELHUQHUDCY-ROUUACIJSA-N 2 1 395.548 -0.548 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCN1CCOCC1 ZINC000450885740 1073758241 /nfs/dbraw/zinc/75/82/41/1073758241.db2.gz DAGGELHUQHUDCY-ROUUACIJSA-N 2 1 395.548 -0.548 20 0 GBADMP CC1[C@@H](C(=O)NCC[NH+]2CCCOCC2)[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000451005417 1073762191 /nfs/dbraw/zinc/76/21/91/1073762191.db2.gz PGKQOXMNYRUMKL-QZTJIDSGSA-N 2 1 396.532 -0.455 20 0 GBADMP C[NH+](CCOCC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451138713 1073766678 /nfs/dbraw/zinc/76/66/78/1073766678.db2.gz BMTHBHWJLFDZGW-MUGJNUQGSA-N 2 1 382.549 -0.187 20 0 GBADMP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451138714 1073766618 /nfs/dbraw/zinc/76/66/18/1073766618.db2.gz BMTHBHWJLFDZGW-YRPNKDGESA-N 2 1 382.549 -0.187 20 0 GBADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451138714 1073766611 /nfs/dbraw/zinc/76/66/11/1073766611.db2.gz BMTHBHWJLFDZGW-YRPNKDGESA-N 2 1 382.549 -0.187 20 0 GBADMP C[NH+](CCOCC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451138714 1073766606 /nfs/dbraw/zinc/76/66/06/1073766606.db2.gz BMTHBHWJLFDZGW-YRPNKDGESA-N 2 1 382.549 -0.187 20 0 GBADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451138715 1073766641 /nfs/dbraw/zinc/76/66/41/1073766641.db2.gz BMTHBHWJLFDZGW-ZRNYENFQSA-N 2 1 382.549 -0.187 20 0 GBADMP COC[C@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327551 1073772509 /nfs/dbraw/zinc/77/25/09/1073772509.db2.gz HFZNUDDVVJVMRL-APWZRJJASA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327551 1073772504 /nfs/dbraw/zinc/77/25/04/1073772504.db2.gz HFZNUDDVVJVMRL-APWZRJJASA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327551 1073772502 /nfs/dbraw/zinc/77/25/02/1073772502.db2.gz HFZNUDDVVJVMRL-APWZRJJASA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327552 1073772412 /nfs/dbraw/zinc/77/24/12/1073772412.db2.gz HFZNUDDVVJVMRL-LPHOPBHVSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327552 1073772403 /nfs/dbraw/zinc/77/24/03/1073772403.db2.gz HFZNUDDVVJVMRL-LPHOPBHVSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327552 1073772394 /nfs/dbraw/zinc/77/23/94/1073772394.db2.gz HFZNUDDVVJVMRL-LPHOPBHVSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327553 1073771869 /nfs/dbraw/zinc/77/18/69/1073771869.db2.gz HFZNUDDVVJVMRL-QFBILLFUSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327553 1073771863 /nfs/dbraw/zinc/77/18/63/1073771863.db2.gz HFZNUDDVVJVMRL-QFBILLFUSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327553 1073771855 /nfs/dbraw/zinc/77/18/55/1073771855.db2.gz HFZNUDDVVJVMRL-QFBILLFUSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000451327554 1073772220 /nfs/dbraw/zinc/77/22/20/1073772220.db2.gz HFZNUDDVVJVMRL-VQIMIIECSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@@]1(C(=O)OC)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000451327554 1073772215 /nfs/dbraw/zinc/77/22/15/1073772215.db2.gz HFZNUDDVVJVMRL-VQIMIIECSA-N 2 1 385.505 -0.029 20 0 GBADMP COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327554 1073772210 /nfs/dbraw/zinc/77/22/10/1073772210.db2.gz HFZNUDDVVJVMRL-VQIMIIECSA-N 2 1 385.505 -0.029 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452780841 1073811442 /nfs/dbraw/zinc/81/14/42/1073811442.db2.gz IEBVFKOGDNTXAC-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452780841 1073811427 /nfs/dbraw/zinc/81/14/27/1073811427.db2.gz IEBVFKOGDNTXAC-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452780850 1073810996 /nfs/dbraw/zinc/81/09/96/1073810996.db2.gz IEBVFKOGDNTXAC-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452780850 1073810987 /nfs/dbraw/zinc/81/09/87/1073810987.db2.gz IEBVFKOGDNTXAC-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452780851 1073811298 /nfs/dbraw/zinc/81/12/98/1073811298.db2.gz IEBVFKOGDNTXAC-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452780851 1073811286 /nfs/dbraw/zinc/81/12/86/1073811286.db2.gz IEBVFKOGDNTXAC-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452780852 1073810879 /nfs/dbraw/zinc/81/08/79/1073810879.db2.gz IEBVFKOGDNTXAC-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452780852 1073810872 /nfs/dbraw/zinc/81/08/72/1073810872.db2.gz IEBVFKOGDNTXAC-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452791759 1073811355 /nfs/dbraw/zinc/81/13/55/1073811355.db2.gz FBQSCQXNVJVOEA-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452791759 1073811344 /nfs/dbraw/zinc/81/13/44/1073811344.db2.gz FBQSCQXNVJVOEA-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452791760 1073811100 /nfs/dbraw/zinc/81/11/00/1073811100.db2.gz FBQSCQXNVJVOEA-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452791760 1073811088 /nfs/dbraw/zinc/81/10/88/1073811088.db2.gz FBQSCQXNVJVOEA-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452791761 1073811643 /nfs/dbraw/zinc/81/16/43/1073811643.db2.gz FBQSCQXNVJVOEA-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452791761 1073811630 /nfs/dbraw/zinc/81/16/30/1073811630.db2.gz FBQSCQXNVJVOEA-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452791762 1073812555 /nfs/dbraw/zinc/81/25/55/1073812555.db2.gz FBQSCQXNVJVOEA-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452791762 1073812544 /nfs/dbraw/zinc/81/25/44/1073812544.db2.gz FBQSCQXNVJVOEA-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452794396 1073812886 /nfs/dbraw/zinc/81/28/86/1073812886.db2.gz GYDABADSUXBEBG-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452794396 1073812869 /nfs/dbraw/zinc/81/28/69/1073812869.db2.gz GYDABADSUXBEBG-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452794397 1073812962 /nfs/dbraw/zinc/81/29/62/1073812962.db2.gz GYDABADSUXBEBG-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452794397 1073812957 /nfs/dbraw/zinc/81/29/57/1073812957.db2.gz GYDABADSUXBEBG-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452794398 1073812502 /nfs/dbraw/zinc/81/25/02/1073812502.db2.gz GYDABADSUXBEBG-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452794398 1073812492 /nfs/dbraw/zinc/81/24/92/1073812492.db2.gz GYDABADSUXBEBG-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452794399 1073812640 /nfs/dbraw/zinc/81/26/40/1073812640.db2.gz GYDABADSUXBEBG-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452794399 1073812628 /nfs/dbraw/zinc/81/26/28/1073812628.db2.gz GYDABADSUXBEBG-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000460273473 1073377750 /nfs/dbraw/zinc/37/77/50/1073377750.db2.gz JFFVGUSOYUCRQP-IBGZPJMESA-N 2 1 391.520 -0.255 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732676 530138652 /nfs/dbraw/zinc/13/86/52/530138652.db2.gz CLQGFFLOEWCXNE-HNNXBMFYSA-N 2 1 377.555 -0.065 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732677 530138633 /nfs/dbraw/zinc/13/86/33/530138633.db2.gz CLQGFFLOEWCXNE-OAHLLOKOSA-N 2 1 377.555 -0.065 20 0 GBADMP CCN1CC[NH+](CCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000469709425 1073229128 /nfs/dbraw/zinc/22/91/28/1073229128.db2.gz KKDBLHHWQVHSQO-UHFFFAOYSA-N 2 1 379.509 -0.473 20 0 GBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000472273426 1072419218 /nfs/dbraw/zinc/41/92/18/1072419218.db2.gz BQQNMNZVZUCLID-HNNXBMFYSA-N 2 1 392.504 -0.134 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000472273427 1072419287 /nfs/dbraw/zinc/41/92/87/1072419287.db2.gz BQQNMNZVZUCLID-OAHLLOKOSA-N 2 1 392.504 -0.134 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000472277701 1072427021 /nfs/dbraw/zinc/42/70/21/1072427021.db2.gz NDFYHPVGEFFJSP-GOSISDBHSA-N 2 1 397.564 -0.349 20 0 GBADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000472277704 1072427092 /nfs/dbraw/zinc/42/70/92/1072427092.db2.gz NDFYHPVGEFFJSP-SFHVURJKSA-N 2 1 397.564 -0.349 20 0 GBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913748 1073226686 /nfs/dbraw/zinc/22/66/86/1073226686.db2.gz KAONSDSKHBKQCF-DLBZAZTESA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913748 1073226681 /nfs/dbraw/zinc/22/66/81/1073226681.db2.gz KAONSDSKHBKQCF-DLBZAZTESA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913748 1073226678 /nfs/dbraw/zinc/22/66/78/1073226678.db2.gz KAONSDSKHBKQCF-DLBZAZTESA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913749 1073226565 /nfs/dbraw/zinc/22/65/65/1073226565.db2.gz KAONSDSKHBKQCF-IAGOWNOFSA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913749 1073226558 /nfs/dbraw/zinc/22/65/58/1073226558.db2.gz KAONSDSKHBKQCF-IAGOWNOFSA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913749 1073226555 /nfs/dbraw/zinc/22/65/55/1073226555.db2.gz KAONSDSKHBKQCF-IAGOWNOFSA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913750 1073226378 /nfs/dbraw/zinc/22/63/78/1073226378.db2.gz KAONSDSKHBKQCF-IRXDYDNUSA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913750 1073226371 /nfs/dbraw/zinc/22/63/71/1073226371.db2.gz KAONSDSKHBKQCF-IRXDYDNUSA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913750 1073226366 /nfs/dbraw/zinc/22/63/66/1073226366.db2.gz KAONSDSKHBKQCF-IRXDYDNUSA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913751 1073226750 /nfs/dbraw/zinc/22/67/50/1073226750.db2.gz KAONSDSKHBKQCF-SJORKVTESA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913751 1073226747 /nfs/dbraw/zinc/22/67/47/1073226747.db2.gz KAONSDSKHBKQCF-SJORKVTESA-N 2 1 382.553 -0.101 20 0 GBADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913751 1073226742 /nfs/dbraw/zinc/22/67/42/1073226742.db2.gz KAONSDSKHBKQCF-SJORKVTESA-N 2 1 382.553 -0.101 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473032640 1073314351 /nfs/dbraw/zinc/31/43/51/1073314351.db2.gz GUWBYNVVRMQCSR-GOSISDBHSA-N 2 1 397.564 -0.445 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473032641 1073314119 /nfs/dbraw/zinc/31/41/19/1073314119.db2.gz GUWBYNVVRMQCSR-SFHVURJKSA-N 2 1 397.564 -0.445 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000473876463 1073079220 /nfs/dbraw/zinc/07/92/20/1073079220.db2.gz NCOFIWQWFDBLCY-UHFFFAOYSA-N 2 1 382.553 -0.182 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474043614 1073295395 /nfs/dbraw/zinc/29/53/95/1073295395.db2.gz ZGNAPVZJAHVHJC-INIZCTEOSA-N 2 1 396.536 -0.621 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474043614 1073295388 /nfs/dbraw/zinc/29/53/88/1073295388.db2.gz ZGNAPVZJAHVHJC-INIZCTEOSA-N 2 1 396.536 -0.621 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474043618 1073295105 /nfs/dbraw/zinc/29/51/05/1073295105.db2.gz ZGNAPVZJAHVHJC-MRXNPFEDSA-N 2 1 396.536 -0.621 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474043618 1073295101 /nfs/dbraw/zinc/29/51/01/1073295101.db2.gz ZGNAPVZJAHVHJC-MRXNPFEDSA-N 2 1 396.536 -0.621 20 0 GBADMP COCC[NH+]1CC[C@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)CCC2)C1 ZINC000474706152 1073339912 /nfs/dbraw/zinc/33/99/12/1073339912.db2.gz MPVRTHHFPWFJJI-CALCHBBNSA-N 2 1 396.532 -0.170 20 0 GBADMP COCC[NH+]1CC[C@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CCC2)C1 ZINC000474706152 1073339906 /nfs/dbraw/zinc/33/99/06/1073339906.db2.gz MPVRTHHFPWFJJI-CALCHBBNSA-N 2 1 396.532 -0.170 20 0 GBADMP COCC[NH+]1CC[C@@H](NC(=O)C2(C(=O)N[C@H]3CC[N@H+](CCOC)C3)CCC2)C1 ZINC000474706152 1073339900 /nfs/dbraw/zinc/33/99/00/1073339900.db2.gz MPVRTHHFPWFJJI-CALCHBBNSA-N 2 1 396.532 -0.170 20 0 GBADMP COCC[NH+]1CC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CCC2)C1 ZINC000474706153 1073339975 /nfs/dbraw/zinc/33/99/75/1073339975.db2.gz MPVRTHHFPWFJJI-IAGOWNOFSA-N 2 1 396.532 -0.170 20 0 GBADMP COCC[NH+]1CC[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@H+](CCOC)C3)CCC2)C1 ZINC000474706154 1073340013 /nfs/dbraw/zinc/34/00/13/1073340013.db2.gz MPVRTHHFPWFJJI-IRXDYDNUSA-N 2 1 396.532 -0.170 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500439121 1073550838 /nfs/dbraw/zinc/55/08/38/1073550838.db2.gz ZIKIWQXMWBQBFH-UHFFFAOYSA-N 2 1 381.521 -0.306 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000500459552 1073702204 /nfs/dbraw/zinc/70/22/04/1073702204.db2.gz SDYXLBLXKPFSPX-UHFFFAOYSA-N 2 1 393.532 -0.401 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500768309 1073772199 /nfs/dbraw/zinc/77/21/99/1073772199.db2.gz UBEUFUUVUAXLIC-HNNXBMFYSA-N 2 1 381.521 -0.354 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500768312 1073771955 /nfs/dbraw/zinc/77/19/55/1073771955.db2.gz UBEUFUUVUAXLIC-OAHLLOKOSA-N 2 1 381.521 -0.354 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCC1 ZINC000500771293 1073772749 /nfs/dbraw/zinc/77/27/49/1073772749.db2.gz KEOZCVXHXUIOPE-HNNXBMFYSA-N 2 1 379.505 -0.648 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCC1 ZINC000500771301 1073772971 /nfs/dbraw/zinc/77/29/71/1073772971.db2.gz KEOZCVXHXUIOPE-OAHLLOKOSA-N 2 1 379.505 -0.648 20 0 GBADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000501174555 1072187651 /nfs/dbraw/zinc/18/76/51/1072187651.db2.gz WKWYEFGHUXOJGS-UHFFFAOYSA-N 2 1 393.532 -0.304 20 0 GBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501587429 1072262351 /nfs/dbraw/zinc/26/23/51/1072262351.db2.gz WLZJKUXSVQYDQZ-HNNXBMFYSA-N 2 1 384.546 -0.232 20 0 GBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501587430 1072262184 /nfs/dbraw/zinc/26/21/84/1072262184.db2.gz WLZJKUXSVQYDQZ-OAHLLOKOSA-N 2 1 384.546 -0.232 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501639735 1072279268 /nfs/dbraw/zinc/27/92/68/1072279268.db2.gz OFJLLEMZBGBKHA-INIZCTEOSA-N 2 1 396.532 -0.481 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501639738 1072279553 /nfs/dbraw/zinc/27/95/53/1072279553.db2.gz OFJLLEMZBGBKHA-MRXNPFEDSA-N 2 1 396.532 -0.481 20 0 GBADMP C[C@@]1(O)CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@](C)(O)C3)CC2)C1 ZINC000501807120 1072284486 /nfs/dbraw/zinc/28/44/86/1072284486.db2.gz VQOGNRMWAVWECA-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@](C)(O)C3)CC2)C1 ZINC000501807120 1072284478 /nfs/dbraw/zinc/28/44/78/1072284478.db2.gz VQOGNRMWAVWECA-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@]1(O)CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@](C)(O)C3)CC2)C1 ZINC000501807329 1072284579 /nfs/dbraw/zinc/28/45/79/1072284579.db2.gz VQOGNRMWAVWECA-PMACEKPBSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@@]1(O)CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@](C)(O)C3)CC2)C1 ZINC000501807330 1072283865 /nfs/dbraw/zinc/28/38/65/1072283865.db2.gz VQOGNRMWAVWECA-WOJBJXKFSA-N 2 1 396.532 -0.649 20 0 GBADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC[NH+]3CCC3)ccc2oc1=O ZINC000503652284 1072477472 /nfs/dbraw/zinc/47/74/72/1072477472.db2.gz JNVNNMUWBMNWCO-UHFFFAOYSA-N 2 1 375.429 -0.084 20 0 GBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504599190 1072581339 /nfs/dbraw/zinc/58/13/39/1072581339.db2.gz RIDIUGNRVAISDN-GOSISDBHSA-N 2 1 379.461 -0.446 20 0 GBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504599192 1072581323 /nfs/dbraw/zinc/58/13/23/1072581323.db2.gz RIDIUGNRVAISDN-SFHVURJKSA-N 2 1 379.461 -0.446 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000505744172 1072727621 /nfs/dbraw/zinc/72/76/21/1072727621.db2.gz OSPSOBGZBUIPAV-HNNXBMFYSA-N 2 1 379.509 -0.146 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000505744173 1072727338 /nfs/dbraw/zinc/72/73/38/1072727338.db2.gz OSPSOBGZBUIPAV-OAHLLOKOSA-N 2 1 379.509 -0.146 20 0 GBADMP C[C@@H](O)[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000506032859 1072806025 /nfs/dbraw/zinc/80/60/25/1072806025.db2.gz SLLOWPYFSJYKHA-FZDBZEDMSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H](O)[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000506032859 1072806016 /nfs/dbraw/zinc/80/60/16/1072806016.db2.gz SLLOWPYFSJYKHA-FZDBZEDMSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000506032859 1072806011 /nfs/dbraw/zinc/80/60/11/1072806011.db2.gz SLLOWPYFSJYKHA-FZDBZEDMSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000506032861 1072806804 /nfs/dbraw/zinc/80/68/04/1072806804.db2.gz SLLOWPYFSJYKHA-XLAORIBOSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000506032861 1072806793 /nfs/dbraw/zinc/80/67/93/1072806793.db2.gz SLLOWPYFSJYKHA-XLAORIBOSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@H](O)[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000506032861 1072806784 /nfs/dbraw/zinc/80/67/84/1072806784.db2.gz SLLOWPYFSJYKHA-XLAORIBOSA-N 2 1 396.532 -0.937 20 0 GBADMP C[C@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(=O)N1CCCCC1 ZINC000507354132 1073057442 /nfs/dbraw/zinc/05/74/42/1073057442.db2.gz RNHGFFYCMHSRMV-INIZCTEOSA-N 2 1 395.548 -0.107 20 0 GBADMP C[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(=O)N1CCCCC1 ZINC000507354133 1073057236 /nfs/dbraw/zinc/05/72/36/1073057236.db2.gz RNHGFFYCMHSRMV-MRXNPFEDSA-N 2 1 395.548 -0.107 20 0 GBADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000507375408 1073057252 /nfs/dbraw/zinc/05/72/52/1073057252.db2.gz NVUQWDLSOPIWNQ-UHFFFAOYSA-N 2 1 397.564 -0.397 20 0 GBADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507404798 1073059663 /nfs/dbraw/zinc/05/96/63/1073059663.db2.gz QOOKMFREXCKBJO-AWEZNQCLSA-N 2 1 381.521 -0.498 20 0 GBADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507404802 1073059898 /nfs/dbraw/zinc/05/98/98/1073059898.db2.gz QOOKMFREXCKBJO-CQSZACIVSA-N 2 1 381.521 -0.498 20 0 GBADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000507405536 1073059880 /nfs/dbraw/zinc/05/98/80/1073059880.db2.gz QJVGYUCNDWDRSN-AWEZNQCLSA-N 2 1 393.492 -0.948 20 0 GBADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000507405536 1073059876 /nfs/dbraw/zinc/05/98/76/1073059876.db2.gz QJVGYUCNDWDRSN-AWEZNQCLSA-N 2 1 393.492 -0.948 20 0 GBADMP CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000507405547 1073059944 /nfs/dbraw/zinc/05/99/44/1073059944.db2.gz QJVGYUCNDWDRSN-CQSZACIVSA-N 2 1 393.492 -0.948 20 0 GBADMP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000507405547 1073059941 /nfs/dbraw/zinc/05/99/41/1073059941.db2.gz QJVGYUCNDWDRSN-CQSZACIVSA-N 2 1 393.492 -0.948 20 0 GBADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000507427020 1073062394 /nfs/dbraw/zinc/06/23/94/1073062394.db2.gz WCRYDHHEAWFUBY-UHFFFAOYSA-N 2 1 381.399 -0.236 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000507845720 1073207113 /nfs/dbraw/zinc/20/71/13/1073207113.db2.gz QUTYZTOOWNVTRQ-ALOPSCKCSA-N 2 1 393.532 -0.260 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507845720 1073207104 /nfs/dbraw/zinc/20/71/04/1073207104.db2.gz QUTYZTOOWNVTRQ-ALOPSCKCSA-N 2 1 393.532 -0.260 20 0 GBADMP O=C(C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCNC(=O)C1 ZINC000507904491 1073210812 /nfs/dbraw/zinc/21/08/12/1073210812.db2.gz POPIAGMYSJPXRX-UHFFFAOYSA-N 2 1 393.532 -0.351 20 0 GBADMP CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000507940686 1073211404 /nfs/dbraw/zinc/21/14/04/1073211404.db2.gz PXKHUQOHJBVUSE-HMQMGEFJSA-N 2 1 382.505 -0.731 20 0 GBADMP CCN(C(=O)[C@H]1CN(CC)CCO1)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546353 1072912640 /nfs/dbraw/zinc/91/26/40/1072912640.db2.gz YFDRWSQOECECLG-DLBZAZTESA-N 2 1 382.505 -0.513 20 0 GBADMP CCN(C(=O)[C@H]1CN(CC)CCO1)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546357 1072913067 /nfs/dbraw/zinc/91/30/67/1072913067.db2.gz YFDRWSQOECECLG-IAGOWNOFSA-N 2 1 382.505 -0.513 20 0 GBADMP CCN(C(=O)[C@@H]1CN(CC)CCO1)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546359 1072912495 /nfs/dbraw/zinc/91/24/95/1072912495.db2.gz YFDRWSQOECECLG-IRXDYDNUSA-N 2 1 382.505 -0.513 20 0 GBADMP CCN(C(=O)[C@@H]1CN(CC)CCO1)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000509546362 1072912548 /nfs/dbraw/zinc/91/25/48/1072912548.db2.gz YFDRWSQOECECLG-SJORKVTESA-N 2 1 382.505 -0.513 20 0 GBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000509723893 1073777488 /nfs/dbraw/zinc/77/74/88/1073777488.db2.gz ZTCHHXUUFBMLTL-INIZCTEOSA-N 2 1 384.521 -0.217 20 0 GBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000509723893 1073777481 /nfs/dbraw/zinc/77/74/81/1073777481.db2.gz ZTCHHXUUFBMLTL-INIZCTEOSA-N 2 1 384.521 -0.217 20 0 GBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000509723893 1073777477 /nfs/dbraw/zinc/77/74/77/1073777477.db2.gz ZTCHHXUUFBMLTL-INIZCTEOSA-N 2 1 384.521 -0.217 20 0 GBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000509723894 1073777737 /nfs/dbraw/zinc/77/77/37/1073777737.db2.gz ZTCHHXUUFBMLTL-MRXNPFEDSA-N 2 1 384.521 -0.217 20 0 GBADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000509723894 1073777733 /nfs/dbraw/zinc/77/77/33/1073777733.db2.gz ZTCHHXUUFBMLTL-MRXNPFEDSA-N 2 1 384.521 -0.217 20 0 GBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000509723894 1073777729 /nfs/dbraw/zinc/77/77/29/1073777729.db2.gz ZTCHHXUUFBMLTL-MRXNPFEDSA-N 2 1 384.521 -0.217 20 0 GBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)CCCOC)C2)CC1 ZINC000509724001 1073777607 /nfs/dbraw/zinc/77/76/07/1073777607.db2.gz IDJCUGBOQDENJT-KRWDZBQOSA-N 2 1 383.537 -0.691 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)CCCOC)C2)CC1 ZINC000509724002 1073777438 /nfs/dbraw/zinc/77/74/38/1073777438.db2.gz IDJCUGBOQDENJT-QGZVFWFLSA-N 2 1 383.537 -0.691 20 0 GBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000509739444 1073697072 /nfs/dbraw/zinc/69/70/72/1073697072.db2.gz UKIMZFBAXZZZSQ-KRWDZBQOSA-N 2 1 397.564 -0.302 20 0 GBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000509739445 1073697236 /nfs/dbraw/zinc/69/72/36/1073697236.db2.gz UKIMZFBAXZZZSQ-QGZVFWFLSA-N 2 1 397.564 -0.302 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000509826548 1073897066 /nfs/dbraw/zinc/89/70/66/1073897066.db2.gz HYNAVQKZLPLWHL-UHFFFAOYSA-N 2 1 396.536 -0.608 20 0 GBADMP CO[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)C[N@H+](C)[C@H]3C[C@@H](OC)C3)CC2)C1 ZINC000510126933 1072218640 /nfs/dbraw/zinc/21/86/40/1072218640.db2.gz IQZJFRBHVUKWFG-BALXVJCKSA-N 2 1 396.532 -0.124 20 0 GBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000511593936 530458407 /nfs/dbraw/zinc/45/84/07/530458407.db2.gz PTUJQDZQHFPZOL-AWEZNQCLSA-N 2 1 375.539 -0.520 20 0 GBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000511593936 530458405 /nfs/dbraw/zinc/45/84/05/530458405.db2.gz PTUJQDZQHFPZOL-AWEZNQCLSA-N 2 1 375.539 -0.520 20 0 GBADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000511593949 530458372 /nfs/dbraw/zinc/45/83/72/530458372.db2.gz PTUJQDZQHFPZOL-CQSZACIVSA-N 2 1 375.539 -0.520 20 0 GBADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000511593949 530458371 /nfs/dbraw/zinc/45/83/71/530458371.db2.gz PTUJQDZQHFPZOL-CQSZACIVSA-N 2 1 375.539 -0.520 20 0 GBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC000511606391 1073298228 /nfs/dbraw/zinc/29/82/28/1073298228.db2.gz VIVAQIUOFLNGDT-BRSBDYLESA-N 2 1 396.532 -0.652 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511947607 1073516663 /nfs/dbraw/zinc/51/66/63/1073516663.db2.gz HFEDTRPFSXAHLY-UHFFFAOYSA-N 2 1 393.532 -0.258 20 0 GBADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCOCC1 ZINC000511949213 1073517969 /nfs/dbraw/zinc/51/79/69/1073517969.db2.gz BQXPRFLWVILGBW-KRWDZBQOSA-N 2 1 396.532 -0.073 20 0 GBADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCOCC1 ZINC000511949214 1073518339 /nfs/dbraw/zinc/51/83/39/1073518339.db2.gz BQXPRFLWVILGBW-QGZVFWFLSA-N 2 1 396.532 -0.073 20 0 GBADMP CCN1CCN(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C(=O)C1=O ZINC000512326578 1073695736 /nfs/dbraw/zinc/69/57/36/1073695736.db2.gz SYZHJOKGAHCFHT-INIZCTEOSA-N 2 1 381.521 -0.448 20 0 GBADMP CCN1CCN(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)C(=O)C1=O ZINC000512326579 1073695309 /nfs/dbraw/zinc/69/53/09/1073695309.db2.gz SYZHJOKGAHCFHT-MRXNPFEDSA-N 2 1 381.521 -0.448 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000512362470 1073710509 /nfs/dbraw/zinc/71/05/09/1073710509.db2.gz KMAZXVQPXVJQLV-AWEZNQCLSA-N 2 1 386.522 -0.595 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000512362471 1073710367 /nfs/dbraw/zinc/71/03/67/1073710367.db2.gz KMAZXVQPXVJQLV-CQSZACIVSA-N 2 1 386.522 -0.595 20 0 GBADMP C[C@@H]1C[C@H](N2CCOCC2)CN1CC(O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512461528 1073750112 /nfs/dbraw/zinc/75/01/12/1073750112.db2.gz DSWHHONLVKYXCL-ZRNYENFQSA-N 2 1 396.576 -0.063 20 0 GBADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211230 1073954493 /nfs/dbraw/zinc/95/44/93/1073954493.db2.gz WYIVYPDSKQLTEL-DLBZAZTESA-N 2 1 393.532 -0.305 20 0 GBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211231 1073954739 /nfs/dbraw/zinc/95/47/39/1073954739.db2.gz WYIVYPDSKQLTEL-IAGOWNOFSA-N 2 1 393.532 -0.305 20 0 GBADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211232 1073954558 /nfs/dbraw/zinc/95/45/58/1073954558.db2.gz WYIVYPDSKQLTEL-IRXDYDNUSA-N 2 1 393.532 -0.305 20 0 GBADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211233 1073954694 /nfs/dbraw/zinc/95/46/94/1073954694.db2.gz WYIVYPDSKQLTEL-SJORKVTESA-N 2 1 393.532 -0.305 20 0 GBADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513223570 1073954779 /nfs/dbraw/zinc/95/47/79/1073954779.db2.gz WCXLKVQEVWLXAS-CVEARBPZSA-N 2 1 390.550 -0.478 20 0 GBADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513223571 1073954373 /nfs/dbraw/zinc/95/43/73/1073954373.db2.gz WCXLKVQEVWLXAS-HOTGVXAUSA-N 2 1 390.550 -0.478 20 0 GBADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513223572 1073954355 /nfs/dbraw/zinc/95/43/55/1073954355.db2.gz WCXLKVQEVWLXAS-HZPDHXFCSA-N 2 1 390.550 -0.478 20 0 GBADMP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513223573 1073954461 /nfs/dbraw/zinc/95/44/61/1073954461.db2.gz WCXLKVQEVWLXAS-JKSUJKDBSA-N 2 1 390.550 -0.478 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000513448239 1073971547 /nfs/dbraw/zinc/97/15/47/1073971547.db2.gz QIUUBYCHSGUPIG-GOSISDBHSA-N 2 1 395.548 -0.595 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000513448240 1073971755 /nfs/dbraw/zinc/97/17/55/1073971755.db2.gz QIUUBYCHSGUPIG-SFHVURJKSA-N 2 1 395.548 -0.595 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000513464252 1073972615 /nfs/dbraw/zinc/97/26/15/1073972615.db2.gz WDJPTCIJVHLNCD-HNNXBMFYSA-N 2 1 383.537 -0.299 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000513464253 1073972463 /nfs/dbraw/zinc/97/24/63/1073972463.db2.gz WDJPTCIJVHLNCD-OAHLLOKOSA-N 2 1 383.537 -0.299 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468066 1073972700 /nfs/dbraw/zinc/97/27/00/1073972700.db2.gz DIGGFQPHQWPUBR-CVEARBPZSA-N 2 1 395.548 -0.156 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468067 1073972851 /nfs/dbraw/zinc/97/28/51/1073972851.db2.gz DIGGFQPHQWPUBR-HOTGVXAUSA-N 2 1 395.548 -0.156 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468068 1073972802 /nfs/dbraw/zinc/97/28/02/1073972802.db2.gz DIGGFQPHQWPUBR-HZPDHXFCSA-N 2 1 395.548 -0.156 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468069 1073972375 /nfs/dbraw/zinc/97/23/75/1073972375.db2.gz DIGGFQPHQWPUBR-JKSUJKDBSA-N 2 1 395.548 -0.156 20 0 GBADMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000513969285 1072621789 /nfs/dbraw/zinc/62/17/89/1072621789.db2.gz SQYJYOPQFDHYEU-UHFFFAOYSA-N 2 1 395.529 -0.380 20 0 GBADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514622501 1072664073 /nfs/dbraw/zinc/66/40/73/1072664073.db2.gz NFHNSKDKRUUBPE-DOTOQJQBSA-N 2 1 395.548 -0.121 20 0 GBADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514622503 1072664045 /nfs/dbraw/zinc/66/40/45/1072664045.db2.gz NFHNSKDKRUUBPE-NVXWUHKLSA-N 2 1 395.548 -0.121 20 0 GBADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000514622504 1072664099 /nfs/dbraw/zinc/66/40/99/1072664099.db2.gz NFHNSKDKRUUBPE-RDJZCZTQSA-N 2 1 395.548 -0.121 20 0 GBADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000514622505 1072663971 /nfs/dbraw/zinc/66/39/71/1072663971.db2.gz NFHNSKDKRUUBPE-WBVHZDCISA-N 2 1 395.548 -0.121 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000514664614 1072667847 /nfs/dbraw/zinc/66/78/47/1072667847.db2.gz LEXVOEDJXYLWPR-JFIYKMOQSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000514664619 1072667618 /nfs/dbraw/zinc/66/76/18/1072667618.db2.gz LEXVOEDJXYLWPR-NUJGCVRESA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000514664622 1072667947 /nfs/dbraw/zinc/66/79/47/1072667947.db2.gz LEXVOEDJXYLWPR-RYRKJORJSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000514664625 1072668112 /nfs/dbraw/zinc/66/81/12/1072668112.db2.gz LEXVOEDJXYLWPR-SOLBZPMBSA-N 2 1 377.533 -0.176 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCN1CC[NH2+]CC1 ZINC000514673441 1072669105 /nfs/dbraw/zinc/66/91/05/1072669105.db2.gz KUUQNVOTBFATBX-KRWDZBQOSA-N 2 1 381.521 -0.889 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCN1CC[NH2+]CC1 ZINC000514673442 1072668712 /nfs/dbraw/zinc/66/87/12/1072668712.db2.gz KUUQNVOTBFATBX-QGZVFWFLSA-N 2 1 381.521 -0.889 20 0 GBADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000514722223 1072672733 /nfs/dbraw/zinc/67/27/33/1072672733.db2.gz XOCXZXOTQLAOPN-AWEZNQCLSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000514722223 1072672730 /nfs/dbraw/zinc/67/27/30/1072672730.db2.gz XOCXZXOTQLAOPN-AWEZNQCLSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000514722232 1072672695 /nfs/dbraw/zinc/67/26/95/1072672695.db2.gz XOCXZXOTQLAOPN-CQSZACIVSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000514722232 1072672689 /nfs/dbraw/zinc/67/26/89/1072672689.db2.gz XOCXZXOTQLAOPN-CQSZACIVSA-N 2 1 385.534 -0.368 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000514806209 1072682834 /nfs/dbraw/zinc/68/28/34/1072682834.db2.gz SSGKCJKYNSFBIX-HNNXBMFYSA-N 2 1 393.532 -0.402 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000514806209 1072682833 /nfs/dbraw/zinc/68/28/33/1072682833.db2.gz SSGKCJKYNSFBIX-HNNXBMFYSA-N 2 1 393.532 -0.402 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000514806210 1072682747 /nfs/dbraw/zinc/68/27/47/1072682747.db2.gz SSGKCJKYNSFBIX-OAHLLOKOSA-N 2 1 393.532 -0.402 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000514806210 1072682743 /nfs/dbraw/zinc/68/27/43/1072682743.db2.gz SSGKCJKYNSFBIX-OAHLLOKOSA-N 2 1 393.532 -0.402 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000514816909 1072684288 /nfs/dbraw/zinc/68/42/88/1072684288.db2.gz QJWGBGMXCHDIBJ-DOTOQJQBSA-N 2 1 393.532 -0.402 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000514816910 1072684264 /nfs/dbraw/zinc/68/42/64/1072684264.db2.gz QJWGBGMXCHDIBJ-NVXWUHKLSA-N 2 1 393.532 -0.402 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000514816911 1072684645 /nfs/dbraw/zinc/68/46/45/1072684645.db2.gz QJWGBGMXCHDIBJ-RDJZCZTQSA-N 2 1 393.532 -0.402 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000514816912 1072684543 /nfs/dbraw/zinc/68/45/43/1072684543.db2.gz QJWGBGMXCHDIBJ-WBVHZDCISA-N 2 1 393.532 -0.402 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000514844190 1072685515 /nfs/dbraw/zinc/68/55/15/1072685515.db2.gz YGGUUFCBSJEZRQ-UHFFFAOYSA-N 2 1 393.532 -0.304 20 0 GBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850156 1072687794 /nfs/dbraw/zinc/68/77/94/1072687794.db2.gz HVZLSVITWPOLMZ-MSOLQXFVSA-N 2 1 382.553 -0.674 20 0 GBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850157 1072687756 /nfs/dbraw/zinc/68/77/56/1072687756.db2.gz HVZLSVITWPOLMZ-QZTJIDSGSA-N 2 1 382.553 -0.674 20 0 GBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850158 1072687737 /nfs/dbraw/zinc/68/77/37/1072687737.db2.gz HVZLSVITWPOLMZ-ROUUACIJSA-N 2 1 382.553 -0.674 20 0 GBADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850159 1072687673 /nfs/dbraw/zinc/68/76/73/1072687673.db2.gz HVZLSVITWPOLMZ-ZWKOTPCHSA-N 2 1 382.553 -0.674 20 0 GBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000514855157 1072689075 /nfs/dbraw/zinc/68/90/75/1072689075.db2.gz MGEDBUNQTRGEFE-JZXOWHBKSA-N 2 1 395.548 -0.565 20 0 GBADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000514855159 1072688986 /nfs/dbraw/zinc/68/89/86/1072688986.db2.gz MGEDBUNQTRGEFE-SOLBZPMBSA-N 2 1 395.548 -0.565 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000514925756 1072693896 /nfs/dbraw/zinc/69/38/96/1072693896.db2.gz RLOUQAQMJPUXGB-WBVHZDCISA-N 2 1 387.484 -0.686 20 0 GBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)CC1 ZINC000514942047 1072695111 /nfs/dbraw/zinc/69/51/11/1072695111.db2.gz PIQDAELKVZBENO-HNNXBMFYSA-N 2 1 386.504 -0.010 20 0 GBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC000514942048 1072694898 /nfs/dbraw/zinc/69/48/98/1072694898.db2.gz PIQDAELKVZBENO-OAHLLOKOSA-N 2 1 386.504 -0.010 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000514971018 1072696044 /nfs/dbraw/zinc/69/60/44/1072696044.db2.gz RZHWFEKNMLTOIZ-CGTJXYLNSA-N 2 1 377.533 -0.176 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000514971019 1072695610 /nfs/dbraw/zinc/69/56/10/1072695610.db2.gz RZHWFEKNMLTOIZ-JQHSSLGASA-N 2 1 377.533 -0.176 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000514971020 1072695502 /nfs/dbraw/zinc/69/55/02/1072695502.db2.gz RZHWFEKNMLTOIZ-KBAYOESNSA-N 2 1 377.533 -0.176 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000514971021 1072695756 /nfs/dbraw/zinc/69/57/56/1072695756.db2.gz RZHWFEKNMLTOIZ-NXHRZFHOSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000514972069 1072695669 /nfs/dbraw/zinc/69/56/69/1072695669.db2.gz DZPOAFLCFJXLAN-KRWDZBQOSA-N 2 1 375.517 -0.013 20 0 GBADMP C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000514972070 1072695686 /nfs/dbraw/zinc/69/56/86/1072695686.db2.gz DZPOAFLCFJXLAN-QGZVFWFLSA-N 2 1 375.517 -0.013 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1(C)C ZINC000515143029 1072705165 /nfs/dbraw/zinc/70/51/65/1072705165.db2.gz FIECVYJAPKVTTL-KRWDZBQOSA-N 2 1 394.564 -0.134 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1(C)C ZINC000515143030 1072705252 /nfs/dbraw/zinc/70/52/52/1072705252.db2.gz FIECVYJAPKVTTL-QGZVFWFLSA-N 2 1 394.564 -0.134 20 0 GBADMP CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000515169436 1072708098 /nfs/dbraw/zinc/70/80/98/1072708098.db2.gz HMZZGHSZXBMMPC-UHFFFAOYSA-N 2 1 383.537 -0.251 20 0 GBADMP COC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)CC[NH2+]CC1 ZINC000515174373 1072709407 /nfs/dbraw/zinc/70/94/07/1072709407.db2.gz LSJOQTHQJMLSQW-UHFFFAOYSA-N 2 1 395.548 -0.548 20 0 GBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000515214402 1072715579 /nfs/dbraw/zinc/71/55/79/1072715579.db2.gz KYVDVOXRIIXJLO-GOSISDBHSA-N 2 1 397.564 -0.491 20 0 GBADMP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000515233016 1072714794 /nfs/dbraw/zinc/71/47/94/1072714794.db2.gz ACIGPLOUXGVTGO-DLBZAZTESA-N 2 1 391.516 -0.504 20 0 GBADMP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000515233017 1072714115 /nfs/dbraw/zinc/71/41/15/1072714115.db2.gz ACIGPLOUXGVTGO-IAGOWNOFSA-N 2 1 391.516 -0.504 20 0 GBADMP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000515233018 1072714804 /nfs/dbraw/zinc/71/48/04/1072714804.db2.gz ACIGPLOUXGVTGO-IRXDYDNUSA-N 2 1 391.516 -0.504 20 0 GBADMP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000515233019 1072714774 /nfs/dbraw/zinc/71/47/74/1072714774.db2.gz ACIGPLOUXGVTGO-SJORKVTESA-N 2 1 391.516 -0.504 20 0 GBADMP CC[NH+]1CCC(CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000515315973 1072719950 /nfs/dbraw/zinc/71/99/50/1072719950.db2.gz OMXDEUFVHPDUPW-UHFFFAOYSA-N 2 1 381.521 -0.495 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000515374533 1072722026 /nfs/dbraw/zinc/72/20/26/1072722026.db2.gz TZJACATVCFFNJU-DLBZAZTESA-N 2 1 384.521 -0.456 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000515374533 1072722020 /nfs/dbraw/zinc/72/20/20/1072722020.db2.gz TZJACATVCFFNJU-DLBZAZTESA-N 2 1 384.521 -0.456 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000515374534 1072721989 /nfs/dbraw/zinc/72/19/89/1072721989.db2.gz TZJACATVCFFNJU-IAGOWNOFSA-N 2 1 384.521 -0.456 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000515374534 1072721984 /nfs/dbraw/zinc/72/19/84/1072721984.db2.gz TZJACATVCFFNJU-IAGOWNOFSA-N 2 1 384.521 -0.456 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000515374535 1072722541 /nfs/dbraw/zinc/72/25/41/1072722541.db2.gz TZJACATVCFFNJU-IRXDYDNUSA-N 2 1 384.521 -0.456 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000515374535 1072722537 /nfs/dbraw/zinc/72/25/37/1072722537.db2.gz TZJACATVCFFNJU-IRXDYDNUSA-N 2 1 384.521 -0.456 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000515374536 1072722472 /nfs/dbraw/zinc/72/24/72/1072722472.db2.gz TZJACATVCFFNJU-SJORKVTESA-N 2 1 384.521 -0.456 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000515374536 1072722466 /nfs/dbraw/zinc/72/24/66/1072722466.db2.gz TZJACATVCFFNJU-SJORKVTESA-N 2 1 384.521 -0.456 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515379524 1072722176 /nfs/dbraw/zinc/72/21/76/1072722176.db2.gz DKKHLYUYYBOLBS-INIZCTEOSA-N 2 1 399.503 -0.238 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000515379525 1072722195 /nfs/dbraw/zinc/72/21/95/1072722195.db2.gz DKKHLYUYYBOLBS-MRXNPFEDSA-N 2 1 399.503 -0.238 20 0 GBADMP CN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515406388 1072723177 /nfs/dbraw/zinc/72/31/77/1072723177.db2.gz SZZHCKLDBKVLTL-KRWDZBQOSA-N 2 1 387.484 -0.733 20 0 GBADMP CN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515406389 1072723388 /nfs/dbraw/zinc/72/33/88/1072723388.db2.gz SZZHCKLDBKVLTL-QGZVFWFLSA-N 2 1 387.484 -0.733 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000515439910 1072724720 /nfs/dbraw/zinc/72/47/20/1072724720.db2.gz NYXTZZKNYCLYQD-INIZCTEOSA-N 2 1 381.521 -0.354 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000515439911 1072724774 /nfs/dbraw/zinc/72/47/74/1072724774.db2.gz NYXTZZKNYCLYQD-MRXNPFEDSA-N 2 1 381.521 -0.354 20 0 GBADMP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000515621242 1072733673 /nfs/dbraw/zinc/73/36/73/1072733673.db2.gz MQYHYIYLPRBCTC-GOSISDBHSA-N 2 1 389.500 -0.764 20 0 GBADMP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000515621243 1072733320 /nfs/dbraw/zinc/73/33/20/1072733320.db2.gz MQYHYIYLPRBCTC-SFHVURJKSA-N 2 1 389.500 -0.764 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000515634637 1072733916 /nfs/dbraw/zinc/73/39/16/1072733916.db2.gz WMNPFGQQTYFZBG-OWCLPIDISA-N 2 1 377.489 -0.896 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000515634638 1072733423 /nfs/dbraw/zinc/73/34/23/1072733423.db2.gz WMNPFGQQTYFZBG-XHSDSOJGSA-N 2 1 377.489 -0.896 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000516102466 1072754843 /nfs/dbraw/zinc/75/48/43/1072754843.db2.gz JLKURDZLLGSQRE-UHFFFAOYSA-N 2 1 381.521 -0.354 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000516102466 1072754836 /nfs/dbraw/zinc/75/48/36/1072754836.db2.gz JLKURDZLLGSQRE-UHFFFAOYSA-N 2 1 381.521 -0.354 20 0 GBADMP Cn1ncc2c1ncn(CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c2=O ZINC000516207824 1072761727 /nfs/dbraw/zinc/76/17/27/1072761727.db2.gz PQYPWSLXZUZCHN-UHFFFAOYSA-N 2 1 382.428 -0.085 20 0 GBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000516315227 1072765928 /nfs/dbraw/zinc/76/59/28/1072765928.db2.gz JUYXJMGVPDVVAR-BZUAXINKSA-N 2 1 379.505 -0.759 20 0 GBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000516315235 1072765669 /nfs/dbraw/zinc/76/56/69/1072765669.db2.gz JUYXJMGVPDVVAR-OAGGEKHMSA-N 2 1 379.505 -0.759 20 0 GBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000516315237 1072765580 /nfs/dbraw/zinc/76/55/80/1072765580.db2.gz JUYXJMGVPDVVAR-OWCLPIDISA-N 2 1 379.505 -0.759 20 0 GBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000516315240 1072766070 /nfs/dbraw/zinc/76/60/70/1072766070.db2.gz JUYXJMGVPDVVAR-PMPSAXMXSA-N 2 1 379.505 -0.759 20 0 GBADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000516434791 1072769336 /nfs/dbraw/zinc/76/93/36/1072769336.db2.gz OPQLRNIALZMVKL-KRWDZBQOSA-N 2 1 395.529 -0.122 20 0 GBADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000516434797 1072769474 /nfs/dbraw/zinc/76/94/74/1072769474.db2.gz OPQLRNIALZMVKL-QGZVFWFLSA-N 2 1 395.529 -0.122 20 0 GBADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)c1cnccn1 ZINC000516590931 1072783720 /nfs/dbraw/zinc/78/37/20/1072783720.db2.gz YUPVVAJLXKKJSB-UHFFFAOYSA-N 2 1 377.493 -0.126 20 0 GBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCNC(=O)c1cnccn1 ZINC000516590931 1072783710 /nfs/dbraw/zinc/78/37/10/1072783710.db2.gz YUPVVAJLXKKJSB-UHFFFAOYSA-N 2 1 377.493 -0.126 20 0 GBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000516625084 1072784409 /nfs/dbraw/zinc/78/44/09/1072784409.db2.gz XPDNIIABCOHLSR-UHFFFAOYSA-N 2 1 382.490 -0.313 20 0 GBADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000516637326 1072786782 /nfs/dbraw/zinc/78/67/82/1072786782.db2.gz IZIFDWXFPSALJQ-INIZCTEOSA-N 2 1 395.548 -0.155 20 0 GBADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000516637326 1072786776 /nfs/dbraw/zinc/78/67/76/1072786776.db2.gz IZIFDWXFPSALJQ-INIZCTEOSA-N 2 1 395.548 -0.155 20 0 GBADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000516637327 1072786735 /nfs/dbraw/zinc/78/67/35/1072786735.db2.gz IZIFDWXFPSALJQ-MRXNPFEDSA-N 2 1 395.548 -0.155 20 0 GBADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000516637327 1072786727 /nfs/dbraw/zinc/78/67/27/1072786727.db2.gz IZIFDWXFPSALJQ-MRXNPFEDSA-N 2 1 395.548 -0.155 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000516664255 1073094306 /nfs/dbraw/zinc/09/43/06/1073094306.db2.gz DBXWYNGXAZASDH-NEPJUHHUSA-N 2 1 393.410 -0.853 20 0 GBADMP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000516664255 1073094294 /nfs/dbraw/zinc/09/42/94/1073094294.db2.gz DBXWYNGXAZASDH-NEPJUHHUSA-N 2 1 393.410 -0.853 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000516664257 1073094461 /nfs/dbraw/zinc/09/44/61/1073094461.db2.gz DBXWYNGXAZASDH-NWDGAFQWSA-N 2 1 393.410 -0.853 20 0 GBADMP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000516664257 1073094442 /nfs/dbraw/zinc/09/44/42/1073094442.db2.gz DBXWYNGXAZASDH-NWDGAFQWSA-N 2 1 393.410 -0.853 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000516664259 1073094738 /nfs/dbraw/zinc/09/47/38/1073094738.db2.gz DBXWYNGXAZASDH-RYUDHWBXSA-N 2 1 393.410 -0.853 20 0 GBADMP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CCC(F)(F)F ZINC000516664259 1073094726 /nfs/dbraw/zinc/09/47/26/1073094726.db2.gz DBXWYNGXAZASDH-RYUDHWBXSA-N 2 1 393.410 -0.853 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000516664260 1073094254 /nfs/dbraw/zinc/09/42/54/1073094254.db2.gz DBXWYNGXAZASDH-VXGBXAGGSA-N 2 1 393.410 -0.853 20 0 GBADMP CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CCC(F)(F)F ZINC000516664260 1073094251 /nfs/dbraw/zinc/09/42/51/1073094251.db2.gz DBXWYNGXAZASDH-VXGBXAGGSA-N 2 1 393.410 -0.853 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671524 1072791134 /nfs/dbraw/zinc/79/11/34/1072791134.db2.gz VQPDGIHAVILWBD-BZUAXINKSA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671524 1072791128 /nfs/dbraw/zinc/79/11/28/1072791128.db2.gz VQPDGIHAVILWBD-BZUAXINKSA-N 2 1 379.505 -0.757 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671524 1072791123 /nfs/dbraw/zinc/79/11/23/1072791123.db2.gz VQPDGIHAVILWBD-BZUAXINKSA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)[C@H]2C1 ZINC000516671527 1072790976 /nfs/dbraw/zinc/79/09/76/1072790976.db2.gz VQPDGIHAVILWBD-OAGGEKHMSA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)[C@H]2C1 ZINC000516671527 1072790964 /nfs/dbraw/zinc/79/09/64/1072790964.db2.gz VQPDGIHAVILWBD-OAGGEKHMSA-N 2 1 379.505 -0.757 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)[C@H]2C1 ZINC000516671527 1072790950 /nfs/dbraw/zinc/79/09/50/1072790950.db2.gz VQPDGIHAVILWBD-OAGGEKHMSA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671528 1072791287 /nfs/dbraw/zinc/79/12/87/1072791287.db2.gz VQPDGIHAVILWBD-OWCLPIDISA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671528 1072791280 /nfs/dbraw/zinc/79/12/80/1072791280.db2.gz VQPDGIHAVILWBD-OWCLPIDISA-N 2 1 379.505 -0.757 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671528 1072791275 /nfs/dbraw/zinc/79/12/75/1072791275.db2.gz VQPDGIHAVILWBD-OWCLPIDISA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)[C@H]2C1 ZINC000516671529 1072791380 /nfs/dbraw/zinc/79/13/80/1072791380.db2.gz VQPDGIHAVILWBD-PMPSAXMXSA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)[C@H]2C1 ZINC000516671529 1072791373 /nfs/dbraw/zinc/79/13/73/1072791373.db2.gz VQPDGIHAVILWBD-PMPSAXMXSA-N 2 1 379.505 -0.757 20 0 GBADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)[C@H]2C1 ZINC000516671529 1072791369 /nfs/dbraw/zinc/79/13/69/1072791369.db2.gz VQPDGIHAVILWBD-PMPSAXMXSA-N 2 1 379.505 -0.757 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000516787376 1072804630 /nfs/dbraw/zinc/80/46/30/1072804630.db2.gz UHIGUUZNPFLBFY-PBHICJAKSA-N 2 1 393.532 -0.308 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000516787377 1072804558 /nfs/dbraw/zinc/80/45/58/1072804558.db2.gz UHIGUUZNPFLBFY-RHSMWYFYSA-N 2 1 393.532 -0.308 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000516787378 1072804506 /nfs/dbraw/zinc/80/45/06/1072804506.db2.gz UHIGUUZNPFLBFY-WMLDXEAASA-N 2 1 393.532 -0.308 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000516787379 1072804899 /nfs/dbraw/zinc/80/48/99/1072804899.db2.gz UHIGUUZNPFLBFY-YOEHRIQHSA-N 2 1 393.532 -0.308 20 0 GBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000516924432 1072818885 /nfs/dbraw/zinc/81/88/85/1072818885.db2.gz LZLJKOYCLFJKKQ-UHFFFAOYSA-N 2 1 385.472 -0.056 20 0 GBADMP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000517024291 1072825880 /nfs/dbraw/zinc/82/58/80/1072825880.db2.gz OHEPSWBNRFPKLQ-KRWDZBQOSA-N 2 1 391.516 -0.789 20 0 GBADMP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000517024292 1072825597 /nfs/dbraw/zinc/82/55/97/1072825597.db2.gz OHEPSWBNRFPKLQ-QGZVFWFLSA-N 2 1 391.516 -0.789 20 0 GBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(S(N)(=O)=O)CC3)CC2)CC1 ZINC000517038442 1072827804 /nfs/dbraw/zinc/82/78/04/1072827804.db2.gz BUCKCKONFYJKGV-UHFFFAOYSA-N 2 1 387.550 -0.470 20 0 GBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000517192708 1072845394 /nfs/dbraw/zinc/84/53/94/1072845394.db2.gz UBFBXOWZKWFACB-IAGOWNOFSA-N 2 1 382.505 -0.606 20 0 GBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000517192709 1072845449 /nfs/dbraw/zinc/84/54/49/1072845449.db2.gz UBFBXOWZKWFACB-SJORKVTESA-N 2 1 382.505 -0.606 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000517252916 1072854821 /nfs/dbraw/zinc/85/48/21/1072854821.db2.gz YZYAHALMJFQWMR-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000517252916 1072854814 /nfs/dbraw/zinc/85/48/14/1072854814.db2.gz YZYAHALMJFQWMR-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000517252917 1072855075 /nfs/dbraw/zinc/85/50/75/1072855075.db2.gz YZYAHALMJFQWMR-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000517252917 1072855063 /nfs/dbraw/zinc/85/50/63/1072855063.db2.gz YZYAHALMJFQWMR-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517409805 1072863730 /nfs/dbraw/zinc/86/37/30/1072863730.db2.gz DSXJQELKJACNER-INIZCTEOSA-N 2 1 394.520 -0.724 20 0 GBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517409806 1072863937 /nfs/dbraw/zinc/86/39/37/1072863937.db2.gz DSXJQELKJACNER-MRXNPFEDSA-N 2 1 394.520 -0.724 20 0 GBADMP CN1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000517516473 1072866594 /nfs/dbraw/zinc/86/65/94/1072866594.db2.gz NFFQXAZQXMJPHM-KRWDZBQOSA-N 3 1 393.532 -0.448 20 0 GBADMP CN1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000517516474 1072867118 /nfs/dbraw/zinc/86/71/18/1072867118.db2.gz NFFQXAZQXMJPHM-QGZVFWFLSA-N 3 1 393.532 -0.448 20 0 GBADMP C[NH+](C)CCOCCNC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000517612457 1072873565 /nfs/dbraw/zinc/87/35/65/1072873565.db2.gz JMEJIZHPGOMJPX-UHFFFAOYSA-N 2 1 397.564 -0.253 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000517883218 1072895818 /nfs/dbraw/zinc/89/58/18/1072895818.db2.gz FOXRDTDHILYEQQ-FQEVSTJZSA-N 2 1 393.532 -0.447 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000517883218 1072895804 /nfs/dbraw/zinc/89/58/04/1072895804.db2.gz FOXRDTDHILYEQQ-FQEVSTJZSA-N 2 1 393.532 -0.447 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000517883220 1072895704 /nfs/dbraw/zinc/89/57/04/1072895704.db2.gz FOXRDTDHILYEQQ-HXUWFJFHSA-N 2 1 393.532 -0.447 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000517883220 1072895688 /nfs/dbraw/zinc/89/56/88/1072895688.db2.gz FOXRDTDHILYEQQ-HXUWFJFHSA-N 2 1 393.532 -0.447 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000517993887 1072902417 /nfs/dbraw/zinc/90/24/17/1072902417.db2.gz HCSRMNYTBAHEKE-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000517993887 1072902410 /nfs/dbraw/zinc/90/24/10/1072902410.db2.gz HCSRMNYTBAHEKE-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000518140792 1072913158 /nfs/dbraw/zinc/91/31/58/1072913158.db2.gz ZDXPRANLGLXMMU-UHFFFAOYSA-N 2 1 385.534 -0.368 20 0 GBADMP CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000518144695 1072913021 /nfs/dbraw/zinc/91/30/21/1072913021.db2.gz RJHPEZRFBLIIIE-UHFFFAOYSA-N 2 1 393.532 -0.353 20 0 GBADMP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000518218425 1072919337 /nfs/dbraw/zinc/91/93/37/1072919337.db2.gz JRJKZTCGSRCYAJ-INIZCTEOSA-N 2 1 375.473 -0.271 20 0 GBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000518407424 1072931607 /nfs/dbraw/zinc/93/16/07/1072931607.db2.gz ADIRTVDGTVCJID-KRWDZBQOSA-N 2 1 395.548 -0.105 20 0 GBADMP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000518407424 1072931604 /nfs/dbraw/zinc/93/16/04/1072931604.db2.gz ADIRTVDGTVCJID-KRWDZBQOSA-N 2 1 395.548 -0.105 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000518407425 1072931505 /nfs/dbraw/zinc/93/15/05/1072931505.db2.gz ADIRTVDGTVCJID-QGZVFWFLSA-N 2 1 395.548 -0.105 20 0 GBADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000518407425 1072931503 /nfs/dbraw/zinc/93/15/03/1072931503.db2.gz ADIRTVDGTVCJID-QGZVFWFLSA-N 2 1 395.548 -0.105 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000518595064 1072941573 /nfs/dbraw/zinc/94/15/73/1072941573.db2.gz ILTWILHOBXUGDV-INIZCTEOSA-N 2 1 396.536 -0.384 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000518595064 1072941569 /nfs/dbraw/zinc/94/15/69/1072941569.db2.gz ILTWILHOBXUGDV-INIZCTEOSA-N 2 1 396.536 -0.384 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000518595065 1072941758 /nfs/dbraw/zinc/94/17/58/1072941758.db2.gz ILTWILHOBXUGDV-MRXNPFEDSA-N 2 1 396.536 -0.384 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000518595065 1072941749 /nfs/dbraw/zinc/94/17/49/1072941749.db2.gz ILTWILHOBXUGDV-MRXNPFEDSA-N 2 1 396.536 -0.384 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000518742416 1072952886 /nfs/dbraw/zinc/95/28/86/1072952886.db2.gz VLXBSKILTPVWHQ-CVEARBPZSA-N 2 1 379.505 -0.613 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000518742417 1072953060 /nfs/dbraw/zinc/95/30/60/1072953060.db2.gz VLXBSKILTPVWHQ-HOTGVXAUSA-N 2 1 379.505 -0.613 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000518742418 1072953013 /nfs/dbraw/zinc/95/30/13/1072953013.db2.gz VLXBSKILTPVWHQ-HZPDHXFCSA-N 2 1 379.505 -0.613 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000518742419 1072953122 /nfs/dbraw/zinc/95/31/22/1072953122.db2.gz VLXBSKILTPVWHQ-JKSUJKDBSA-N 2 1 379.505 -0.613 20 0 GBADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000518797802 1072959230 /nfs/dbraw/zinc/95/92/30/1072959230.db2.gz PHEJSDYDVHBCJQ-INIZCTEOSA-N 2 1 381.521 -0.306 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000518797803 1072959058 /nfs/dbraw/zinc/95/90/58/1072959058.db2.gz PHEJSDYDVHBCJQ-MRXNPFEDSA-N 2 1 381.521 -0.306 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000518926173 1072965931 /nfs/dbraw/zinc/96/59/31/1072965931.db2.gz HQWBIKACZPFUKD-UHFFFAOYSA-N 2 1 391.516 -0.550 20 0 GBADMP C[NH+](C)CC[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000518947224 1072969340 /nfs/dbraw/zinc/96/93/40/1072969340.db2.gz RXJWOIGNGLTLTC-HNNXBMFYSA-N 2 1 383.537 -0.251 20 0 GBADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000518947225 1072969162 /nfs/dbraw/zinc/96/91/62/1072969162.db2.gz RXJWOIGNGLTLTC-OAHLLOKOSA-N 2 1 383.537 -0.251 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000518960605 1072969411 /nfs/dbraw/zinc/96/94/11/1072969411.db2.gz IWVHFIWIFLMWAC-JXFKEZNVSA-N 2 1 391.516 -0.647 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000518960608 1072969082 /nfs/dbraw/zinc/96/90/82/1072969082.db2.gz IWVHFIWIFLMWAC-OXJNMPFZSA-N 2 1 391.516 -0.647 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000518960609 1072969021 /nfs/dbraw/zinc/96/90/21/1072969021.db2.gz IWVHFIWIFLMWAC-OXQOHEQNSA-N 2 1 391.516 -0.647 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000518960610 1072969377 /nfs/dbraw/zinc/96/93/77/1072969377.db2.gz IWVHFIWIFLMWAC-UZLBHIALSA-N 2 1 391.516 -0.647 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000519021987 1072974295 /nfs/dbraw/zinc/97/42/95/1072974295.db2.gz OYSUFMOUOFTADA-UHFFFAOYSA-N 2 1 394.520 -0.854 20 0 GBADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000519435719 1073004757 /nfs/dbraw/zinc/00/47/57/1073004757.db2.gz UCZNBDLEPXJPEM-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000519436714 1073003795 /nfs/dbraw/zinc/00/37/95/1073003795.db2.gz DDJTZUZQDVJCGU-KRWDZBQOSA-N 2 1 395.548 -0.691 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000519436715 1073004453 /nfs/dbraw/zinc/00/44/53/1073004453.db2.gz DDJTZUZQDVJCGU-QGZVFWFLSA-N 2 1 395.548 -0.691 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000519477041 1073008252 /nfs/dbraw/zinc/00/82/52/1073008252.db2.gz JILNVELDLILNQG-INIZCTEOSA-N 2 1 391.516 -0.480 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000519477042 1073008213 /nfs/dbraw/zinc/00/82/13/1073008213.db2.gz JILNVELDLILNQG-MRXNPFEDSA-N 2 1 391.516 -0.480 20 0 GBADMP CCC[NH+]1CCC(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000519530189 1073014183 /nfs/dbraw/zinc/01/41/83/1073014183.db2.gz YYRIBPXPBOUAHC-UHFFFAOYSA-N 2 1 387.550 -0.263 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592471 1073049921 /nfs/dbraw/zinc/04/99/21/1073049921.db2.gz UURABJBXNHCANP-JFIYKMOQSA-N 2 1 379.549 -0.025 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592471 1073049916 /nfs/dbraw/zinc/04/99/16/1073049916.db2.gz UURABJBXNHCANP-JFIYKMOQSA-N 2 1 379.549 -0.025 20 0 GBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592471 1073049910 /nfs/dbraw/zinc/04/99/10/1073049910.db2.gz UURABJBXNHCANP-JFIYKMOQSA-N 2 1 379.549 -0.025 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592473 1073049433 /nfs/dbraw/zinc/04/94/33/1073049433.db2.gz UURABJBXNHCANP-NUJGCVRESA-N 2 1 379.549 -0.025 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592473 1073049428 /nfs/dbraw/zinc/04/94/28/1073049428.db2.gz UURABJBXNHCANP-NUJGCVRESA-N 2 1 379.549 -0.025 20 0 GBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592473 1073049423 /nfs/dbraw/zinc/04/94/23/1073049423.db2.gz UURABJBXNHCANP-NUJGCVRESA-N 2 1 379.549 -0.025 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592477 1073049374 /nfs/dbraw/zinc/04/93/74/1073049374.db2.gz UURABJBXNHCANP-RYRKJORJSA-N 2 1 379.549 -0.025 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592477 1073049368 /nfs/dbraw/zinc/04/93/68/1073049368.db2.gz UURABJBXNHCANP-RYRKJORJSA-N 2 1 379.549 -0.025 20 0 GBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592477 1073049360 /nfs/dbraw/zinc/04/93/60/1073049360.db2.gz UURABJBXNHCANP-RYRKJORJSA-N 2 1 379.549 -0.025 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592483 1073049522 /nfs/dbraw/zinc/04/95/22/1073049522.db2.gz UURABJBXNHCANP-SOLBZPMBSA-N 2 1 379.549 -0.025 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592483 1073049516 /nfs/dbraw/zinc/04/95/16/1073049516.db2.gz UURABJBXNHCANP-SOLBZPMBSA-N 2 1 379.549 -0.025 20 0 GBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592483 1073049511 /nfs/dbraw/zinc/04/95/11/1073049511.db2.gz UURABJBXNHCANP-SOLBZPMBSA-N 2 1 379.549 -0.025 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000519642747 1073082274 /nfs/dbraw/zinc/08/22/74/1073082274.db2.gz HIOAMSQRUOMUSW-UHFFFAOYSA-N 2 1 393.532 -0.210 20 0 GBADMP C[C@@H](CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCCCC1 ZINC000519663181 1073084144 /nfs/dbraw/zinc/08/41/44/1073084144.db2.gz LRFMSYZAYGUUBK-KRWDZBQOSA-N 2 1 395.548 -0.010 20 0 GBADMP C[C@H](CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCCCC1 ZINC000519663229 1073084124 /nfs/dbraw/zinc/08/41/24/1073084124.db2.gz LRFMSYZAYGUUBK-QGZVFWFLSA-N 2 1 395.548 -0.010 20 0 GBADMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000519709912 1073085513 /nfs/dbraw/zinc/08/55/13/1073085513.db2.gz GTNJKNBNLWQNRQ-UHFFFAOYSA-N 2 1 378.498 -0.566 20 0 GBADMP CO[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000519711665 1073085690 /nfs/dbraw/zinc/08/56/90/1073085690.db2.gz SPKIZFVLUMFVDS-BBWFWOEESA-N 2 1 382.505 -0.336 20 0 GBADMP CO[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000519711675 1073085538 /nfs/dbraw/zinc/08/55/38/1073085538.db2.gz SPKIZFVLUMFVDS-BRWVUGGUSA-N 2 1 382.505 -0.336 20 0 GBADMP CO[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000519711679 1073085350 /nfs/dbraw/zinc/08/53/50/1073085350.db2.gz SPKIZFVLUMFVDS-GVDBMIGSSA-N 2 1 382.505 -0.336 20 0 GBADMP CO[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000519711686 1073086431 /nfs/dbraw/zinc/08/64/31/1073086431.db2.gz SPKIZFVLUMFVDS-ZACQAIPSSA-N 2 1 382.505 -0.336 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000520352905 1073117061 /nfs/dbraw/zinc/11/70/61/1073117061.db2.gz LRQZTKODPRAUJA-MSOLQXFVSA-N 2 1 396.532 -0.073 20 0 GBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000520352905 1073117058 /nfs/dbraw/zinc/11/70/58/1073117058.db2.gz LRQZTKODPRAUJA-MSOLQXFVSA-N 2 1 396.532 -0.073 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000520352906 1073117170 /nfs/dbraw/zinc/11/71/70/1073117170.db2.gz LRQZTKODPRAUJA-QZTJIDSGSA-N 2 1 396.532 -0.073 20 0 GBADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000520352906 1073117168 /nfs/dbraw/zinc/11/71/68/1073117168.db2.gz LRQZTKODPRAUJA-QZTJIDSGSA-N 2 1 396.532 -0.073 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000520352907 1073117264 /nfs/dbraw/zinc/11/72/64/1073117264.db2.gz LRQZTKODPRAUJA-ROUUACIJSA-N 2 1 396.532 -0.073 20 0 GBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000520352907 1073117263 /nfs/dbraw/zinc/11/72/63/1073117263.db2.gz LRQZTKODPRAUJA-ROUUACIJSA-N 2 1 396.532 -0.073 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000520352908 1073117074 /nfs/dbraw/zinc/11/70/74/1073117074.db2.gz LRQZTKODPRAUJA-ZWKOTPCHSA-N 2 1 396.532 -0.073 20 0 GBADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000520352908 1073117072 /nfs/dbraw/zinc/11/70/72/1073117072.db2.gz LRQZTKODPRAUJA-ZWKOTPCHSA-N 2 1 396.532 -0.073 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520416628 1073120679 /nfs/dbraw/zinc/12/06/79/1073120679.db2.gz MTZONRIKZNDKLS-BBWFWOEESA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520416628 1073120674 /nfs/dbraw/zinc/12/06/74/1073120674.db2.gz MTZONRIKZNDKLS-BBWFWOEESA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000520416628 1073120670 /nfs/dbraw/zinc/12/06/70/1073120670.db2.gz MTZONRIKZNDKLS-BBWFWOEESA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520416629 1073120397 /nfs/dbraw/zinc/12/03/97/1073120397.db2.gz MTZONRIKZNDKLS-IKGGRYGDSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520416629 1073120392 /nfs/dbraw/zinc/12/03/92/1073120392.db2.gz MTZONRIKZNDKLS-IKGGRYGDSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000520416629 1073120387 /nfs/dbraw/zinc/12/03/87/1073120387.db2.gz MTZONRIKZNDKLS-IKGGRYGDSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520416630 1073120326 /nfs/dbraw/zinc/12/03/26/1073120326.db2.gz MTZONRIKZNDKLS-ULQDDVLXSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520416630 1073120321 /nfs/dbraw/zinc/12/03/21/1073120321.db2.gz MTZONRIKZNDKLS-ULQDDVLXSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000520416630 1073120311 /nfs/dbraw/zinc/12/03/11/1073120311.db2.gz MTZONRIKZNDKLS-ULQDDVLXSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520416631 1073120624 /nfs/dbraw/zinc/12/06/24/1073120624.db2.gz MTZONRIKZNDKLS-ZACQAIPSSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520416631 1073120620 /nfs/dbraw/zinc/12/06/20/1073120620.db2.gz MTZONRIKZNDKLS-ZACQAIPSSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000520416631 1073120616 /nfs/dbraw/zinc/12/06/16/1073120616.db2.gz MTZONRIKZNDKLS-ZACQAIPSSA-N 2 1 393.532 -0.212 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000520439557 1073148693 /nfs/dbraw/zinc/14/86/93/1073148693.db2.gz VDJKTFDCZOVNBY-UHFFFAOYSA-N 2 1 394.520 -0.900 20 0 GBADMP CC(C)[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000520551548 1073182288 /nfs/dbraw/zinc/18/22/88/1073182288.db2.gz GVXUROJWJDGCFJ-UHFFFAOYSA-N 2 1 390.554 -0.854 20 0 GBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000521077985 1072222323 /nfs/dbraw/zinc/22/23/23/1072222323.db2.gz WWFZQZOLXBNBRG-CVEARBPZSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000521077985 1072222318 /nfs/dbraw/zinc/22/23/18/1072222318.db2.gz WWFZQZOLXBNBRG-CVEARBPZSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000521077987 1072222483 /nfs/dbraw/zinc/22/24/83/1072222483.db2.gz WWFZQZOLXBNBRG-HOTGVXAUSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000521077987 1072222474 /nfs/dbraw/zinc/22/24/74/1072222474.db2.gz WWFZQZOLXBNBRG-HOTGVXAUSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000521077989 1072222776 /nfs/dbraw/zinc/22/27/76/1072222776.db2.gz WWFZQZOLXBNBRG-HZPDHXFCSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000521077989 1072222772 /nfs/dbraw/zinc/22/27/72/1072222772.db2.gz WWFZQZOLXBNBRG-HZPDHXFCSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000521077990 1072222259 /nfs/dbraw/zinc/22/22/59/1072222259.db2.gz WWFZQZOLXBNBRG-JKSUJKDBSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000521077990 1072222252 /nfs/dbraw/zinc/22/22/52/1072222252.db2.gz WWFZQZOLXBNBRG-JKSUJKDBSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000521080409 1073248656 /nfs/dbraw/zinc/24/86/56/1073248656.db2.gz MEQKPSNMFWLVCF-KRWDZBQOSA-N 2 1 395.548 -0.107 20 0 GBADMP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000521080410 1073248846 /nfs/dbraw/zinc/24/88/46/1073248846.db2.gz MEQKPSNMFWLVCF-QGZVFWFLSA-N 2 1 395.548 -0.107 20 0 GBADMP COCC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521102298 1073248580 /nfs/dbraw/zinc/24/85/80/1073248580.db2.gz WMNHUPLYQUVCPS-SFHVURJKSA-N 2 1 396.532 -0.073 20 0 GBADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240204 1073261883 /nfs/dbraw/zinc/26/18/83/1073261883.db2.gz KCTMOHOCJSNMLB-IRXDYDNUSA-N 2 1 382.553 -0.136 20 0 GBADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240205 1073261930 /nfs/dbraw/zinc/26/19/30/1073261930.db2.gz KCTMOHOCJSNMLB-SJORKVTESA-N 2 1 382.553 -0.136 20 0 GBADMP C[NH+]1CCN(CCCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000521412996 1073269160 /nfs/dbraw/zinc/26/91/60/1073269160.db2.gz PKVAYAUBPBZEEP-UHFFFAOYSA-N 2 1 394.564 -0.036 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000521413944 1073269085 /nfs/dbraw/zinc/26/90/85/1073269085.db2.gz FKAKDAPBYNNYPJ-UHFFFAOYSA-N 2 1 381.521 -0.401 20 0 GBADMP CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000521413944 1073269077 /nfs/dbraw/zinc/26/90/77/1073269077.db2.gz FKAKDAPBYNNYPJ-UHFFFAOYSA-N 2 1 381.521 -0.401 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000521492727 1073271284 /nfs/dbraw/zinc/27/12/84/1073271284.db2.gz CJHUPBMMJYDARN-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP CN1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@H](C[NH3+])C1 ZINC000521587333 1073273549 /nfs/dbraw/zinc/27/35/49/1073273549.db2.gz XGUDFCBZGGWDRV-GOSISDBHSA-N 2 1 388.516 -0.142 20 0 GBADMP CN1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C[NH3+])C1 ZINC000521587334 1073273356 /nfs/dbraw/zinc/27/33/56/1073273356.db2.gz XGUDFCBZGGWDRV-SFHVURJKSA-N 2 1 388.516 -0.142 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000521621118 1073274381 /nfs/dbraw/zinc/27/43/81/1073274381.db2.gz VHBIGHXMRVDUSZ-KRWDZBQOSA-N 2 1 393.532 -0.353 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000521621121 1073274294 /nfs/dbraw/zinc/27/42/94/1073274294.db2.gz VHBIGHXMRVDUSZ-QGZVFWFLSA-N 2 1 393.532 -0.353 20 0 GBADMP CN1CCN(C[C@@H](O)C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000521862993 1073281295 /nfs/dbraw/zinc/28/12/95/1073281295.db2.gz OQZXFQCXKASLEL-IBGZPJMESA-N 2 1 377.533 -0.324 20 0 GBADMP CN1CCN(C[C@H](O)C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000521862994 1073281421 /nfs/dbraw/zinc/28/14/21/1073281421.db2.gz OQZXFQCXKASLEL-LJQANCHMSA-N 2 1 377.533 -0.324 20 0 GBADMP COCC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000521961130 1073284871 /nfs/dbraw/zinc/28/48/71/1073284871.db2.gz ZCTYEZZNCZMEAX-GOSISDBHSA-N 2 1 396.532 -0.120 20 0 GBADMP COCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000521961130 1073284865 /nfs/dbraw/zinc/28/48/65/1073284865.db2.gz ZCTYEZZNCZMEAX-GOSISDBHSA-N 2 1 396.532 -0.120 20 0 GBADMP COCC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521961131 1073284951 /nfs/dbraw/zinc/28/49/51/1073284951.db2.gz ZCTYEZZNCZMEAX-SFHVURJKSA-N 2 1 396.532 -0.120 20 0 GBADMP COCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521961131 1073284949 /nfs/dbraw/zinc/28/49/49/1073284949.db2.gz ZCTYEZZNCZMEAX-SFHVURJKSA-N 2 1 396.532 -0.120 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993441 1073288100 /nfs/dbraw/zinc/28/81/00/1073288100.db2.gz KJYKKIXDQDVRSO-BRWVUGGUSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993441 1073288096 /nfs/dbraw/zinc/28/80/96/1073288096.db2.gz KJYKKIXDQDVRSO-BRWVUGGUSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000521993441 1073288089 /nfs/dbraw/zinc/28/80/89/1073288089.db2.gz KJYKKIXDQDVRSO-BRWVUGGUSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993442 1073288990 /nfs/dbraw/zinc/28/89/90/1073288990.db2.gz KJYKKIXDQDVRSO-GVDBMIGSSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993442 1073288988 /nfs/dbraw/zinc/28/89/88/1073288988.db2.gz KJYKKIXDQDVRSO-GVDBMIGSSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993443 1073288600 /nfs/dbraw/zinc/28/86/00/1073288600.db2.gz KJYKKIXDQDVRSO-IXDOHACOSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993443 1073288596 /nfs/dbraw/zinc/28/85/96/1073288596.db2.gz KJYKKIXDQDVRSO-IXDOHACOSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993444 1073288835 /nfs/dbraw/zinc/28/88/35/1073288835.db2.gz KJYKKIXDQDVRSO-YESZJQIVSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000521993444 1073288824 /nfs/dbraw/zinc/28/88/24/1073288824.db2.gz KJYKKIXDQDVRSO-YESZJQIVSA-N 2 1 391.516 -0.648 20 0 GBADMP CC(=O)NCCNC(=O)CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000522813929 1073454376 /nfs/dbraw/zinc/45/43/76/1073454376.db2.gz NOTGFDXRRHHPGM-UHFFFAOYSA-N 2 1 376.461 -0.196 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000522984481 1073473078 /nfs/dbraw/zinc/47/30/78/1073473078.db2.gz WKGMKSNHGDZILW-HNNXBMFYSA-N 2 1 396.536 -0.574 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000522984481 1073473074 /nfs/dbraw/zinc/47/30/74/1073473074.db2.gz WKGMKSNHGDZILW-HNNXBMFYSA-N 2 1 396.536 -0.574 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000522984482 1073473181 /nfs/dbraw/zinc/47/31/81/1073473181.db2.gz WKGMKSNHGDZILW-OAHLLOKOSA-N 2 1 396.536 -0.574 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000522984482 1073473179 /nfs/dbraw/zinc/47/31/79/1073473179.db2.gz WKGMKSNHGDZILW-OAHLLOKOSA-N 2 1 396.536 -0.574 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523209760 1073538590 /nfs/dbraw/zinc/53/85/90/1073538590.db2.gz WMECFPIWGBDQBG-INIZCTEOSA-N 2 1 396.536 -0.608 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523209760 1073538575 /nfs/dbraw/zinc/53/85/75/1073538575.db2.gz WMECFPIWGBDQBG-INIZCTEOSA-N 2 1 396.536 -0.608 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523209761 1073538349 /nfs/dbraw/zinc/53/83/49/1073538349.db2.gz WMECFPIWGBDQBG-MRXNPFEDSA-N 2 1 396.536 -0.608 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000523209761 1073538336 /nfs/dbraw/zinc/53/83/36/1073538336.db2.gz WMECFPIWGBDQBG-MRXNPFEDSA-N 2 1 396.536 -0.608 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000523432269 1073551277 /nfs/dbraw/zinc/55/12/77/1073551277.db2.gz IDJBBYXPNXFKPI-INIZCTEOSA-N 2 1 396.536 -0.432 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000523432270 1073551728 /nfs/dbraw/zinc/55/17/28/1073551728.db2.gz IDJBBYXPNXFKPI-MRXNPFEDSA-N 2 1 396.536 -0.432 20 0 GBADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000523437584 1073552879 /nfs/dbraw/zinc/55/28/79/1073552879.db2.gz VPYNMNKDHOBOND-UHFFFAOYSA-N 2 1 381.521 -0.495 20 0 GBADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471492 1073552344 /nfs/dbraw/zinc/55/23/44/1073552344.db2.gz OHWPRTRJIQHHOQ-DLBZAZTESA-N 2 1 382.553 -0.103 20 0 GBADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471493 1073552795 /nfs/dbraw/zinc/55/27/95/1073552795.db2.gz OHWPRTRJIQHHOQ-IAGOWNOFSA-N 2 1 382.553 -0.103 20 0 GBADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471494 1073552546 /nfs/dbraw/zinc/55/25/46/1073552546.db2.gz OHWPRTRJIQHHOQ-IRXDYDNUSA-N 2 1 382.553 -0.103 20 0 GBADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471495 1073553026 /nfs/dbraw/zinc/55/30/26/1073553026.db2.gz OHWPRTRJIQHHOQ-SJORKVTESA-N 2 1 382.553 -0.103 20 0 GBADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000525637374 1073635222 /nfs/dbraw/zinc/63/52/22/1073635222.db2.gz KGIPJOCUAXKMTM-UHFFFAOYSA-N 2 1 381.521 -0.639 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000525815100 1073642585 /nfs/dbraw/zinc/64/25/85/1073642585.db2.gz JVXKMYAQEZPYBL-CABCVRRESA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000525815100 1073642583 /nfs/dbraw/zinc/64/25/83/1073642583.db2.gz JVXKMYAQEZPYBL-CABCVRRESA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000525815100 1073642581 /nfs/dbraw/zinc/64/25/81/1073642581.db2.gz JVXKMYAQEZPYBL-CABCVRRESA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000525815101 1073642621 /nfs/dbraw/zinc/64/26/21/1073642621.db2.gz JVXKMYAQEZPYBL-GJZGRUSLSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000525815101 1073642619 /nfs/dbraw/zinc/64/26/19/1073642619.db2.gz JVXKMYAQEZPYBL-GJZGRUSLSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000525815101 1073642617 /nfs/dbraw/zinc/64/26/17/1073642617.db2.gz JVXKMYAQEZPYBL-GJZGRUSLSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000525815102 1073642373 /nfs/dbraw/zinc/64/23/73/1073642373.db2.gz JVXKMYAQEZPYBL-HUUCEWRRSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000525815102 1073642368 /nfs/dbraw/zinc/64/23/68/1073642368.db2.gz JVXKMYAQEZPYBL-HUUCEWRRSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000525815102 1073642360 /nfs/dbraw/zinc/64/23/60/1073642360.db2.gz JVXKMYAQEZPYBL-HUUCEWRRSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000525815103 1073642679 /nfs/dbraw/zinc/64/26/79/1073642679.db2.gz JVXKMYAQEZPYBL-LSDHHAIUSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000525815103 1073642676 /nfs/dbraw/zinc/64/26/76/1073642676.db2.gz JVXKMYAQEZPYBL-LSDHHAIUSA-N 2 1 382.509 -0.787 20 0 GBADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000525815103 1073642669 /nfs/dbraw/zinc/64/26/69/1073642669.db2.gz JVXKMYAQEZPYBL-LSDHHAIUSA-N 2 1 382.509 -0.787 20 0 GBADMP CN(C)C(=O)CNC(=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000527446537 1073684940 /nfs/dbraw/zinc/68/49/40/1073684940.db2.gz QEBAOJLFUHECTI-UHFFFAOYSA-N 2 1 395.548 -0.155 20 0 GBADMP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000527753300 1073697438 /nfs/dbraw/zinc/69/74/38/1073697438.db2.gz KOBQLZWWLFCBMY-FQEVSTJZSA-N 2 1 390.532 -0.066 20 0 GBADMP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000527753305 1073697989 /nfs/dbraw/zinc/69/79/89/1073697989.db2.gz KOBQLZWWLFCBMY-HXUWFJFHSA-N 2 1 390.532 -0.066 20 0 GBADMP C[C@]1(CO)C[NH+](CCOCC[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528752313 1073723088 /nfs/dbraw/zinc/72/30/88/1073723088.db2.gz OXMGTGNPRXLQSK-FGYAAKKASA-N 2 1 388.549 -0.371 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529282057 1073730088 /nfs/dbraw/zinc/73/00/88/1073730088.db2.gz HWEHEGNRTFVYEX-KRWDZBQOSA-N 2 1 396.536 -0.304 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529282058 1073730132 /nfs/dbraw/zinc/73/01/32/1073730132.db2.gz HWEHEGNRTFVYEX-QGZVFWFLSA-N 2 1 396.536 -0.304 20 0 GBADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000529288816 1073731538 /nfs/dbraw/zinc/73/15/38/1073731538.db2.gz NJKFPFRSCZBYRT-CALCHBBNSA-N 2 1 396.536 -0.162 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529289719 1073731180 /nfs/dbraw/zinc/73/11/80/1073731180.db2.gz ANIMYOIKAFAAEB-KRWDZBQOSA-N 2 1 381.521 -0.049 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529289720 1073731266 /nfs/dbraw/zinc/73/12/66/1073731266.db2.gz ANIMYOIKAFAAEB-QGZVFWFLSA-N 2 1 381.521 -0.049 20 0 GBADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529291695 1073731602 /nfs/dbraw/zinc/73/16/02/1073731602.db2.gz ZPOWWYZSPGSXBZ-UHFFFAOYSA-N 2 1 395.552 -0.635 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304153 1073732842 /nfs/dbraw/zinc/73/28/42/1073732842.db2.gz HAMYWVOOALXWKK-INIZCTEOSA-N 2 1 382.509 -0.550 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304155 1073732579 /nfs/dbraw/zinc/73/25/79/1073732579.db2.gz HAMYWVOOALXWKK-MRXNPFEDSA-N 2 1 382.509 -0.550 20 0 GBADMP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+]1CCOCC1 ZINC000529315043 1073733117 /nfs/dbraw/zinc/73/31/17/1073733117.db2.gz LJSOKDLYOHNMGK-INIZCTEOSA-N 2 1 382.509 -0.693 20 0 GBADMP C[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+]1CCOCC1 ZINC000529315044 1073732889 /nfs/dbraw/zinc/73/28/89/1073732889.db2.gz LJSOKDLYOHNMGK-MRXNPFEDSA-N 2 1 382.509 -0.693 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000529384589 1073735894 /nfs/dbraw/zinc/73/58/94/1073735894.db2.gz ZFIGSJWBXHFIKV-KRWDZBQOSA-N 2 1 381.521 -0.049 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000529384590 1073735921 /nfs/dbraw/zinc/73/59/21/1073735921.db2.gz ZFIGSJWBXHFIKV-QGZVFWFLSA-N 2 1 381.521 -0.049 20 0 GBADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530221991 1073763247 /nfs/dbraw/zinc/76/32/47/1073763247.db2.gz JFJRPPUQTYHKPR-UHFFFAOYSA-N 2 1 388.472 -0.243 20 0 GBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239805 1073764747 /nfs/dbraw/zinc/76/47/47/1073764747.db2.gz HYKOFBMGFBLFPW-GXTWGEPZSA-N 2 1 393.488 -0.672 20 0 GBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239821 1073764378 /nfs/dbraw/zinc/76/43/78/1073764378.db2.gz HYKOFBMGFBLFPW-JSGCOSHPSA-N 2 1 393.488 -0.672 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239823 1073764336 /nfs/dbraw/zinc/76/43/36/1073764336.db2.gz HYKOFBMGFBLFPW-OCCSQVGLSA-N 2 1 393.488 -0.672 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239826 1073764634 /nfs/dbraw/zinc/76/46/34/1073764634.db2.gz HYKOFBMGFBLFPW-TZMCWYRMSA-N 2 1 393.488 -0.672 20 0 GBADMP C[NH+]1CCN(c2ncc(CN3CCN(C(=O)N4CC[NH2+]CC4)CC3)cn2)CC1 ZINC000530242828 1073764295 /nfs/dbraw/zinc/76/42/95/1073764295.db2.gz PHWRKKXNNYYPNL-UHFFFAOYSA-N 2 1 388.520 -0.629 20 0 GBADMP C[C@](O)(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720972 1073780390 /nfs/dbraw/zinc/78/03/90/1073780390.db2.gz HVLYWKHWHTUUNN-PMACEKPBSA-N 2 1 377.485 -0.177 20 0 GBADMP C[C@](O)(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720972 1073780380 /nfs/dbraw/zinc/78/03/80/1073780380.db2.gz HVLYWKHWHTUUNN-PMACEKPBSA-N 2 1 377.485 -0.177 20 0 GBADMP C[C@@](O)(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720973 1073780835 /nfs/dbraw/zinc/78/08/35/1073780835.db2.gz HVLYWKHWHTUUNN-UXHICEINSA-N 2 1 377.485 -0.177 20 0 GBADMP C[C@@](O)(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720973 1073780827 /nfs/dbraw/zinc/78/08/27/1073780827.db2.gz HVLYWKHWHTUUNN-UXHICEINSA-N 2 1 377.485 -0.177 20 0 GBADMP C[C@](O)(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720974 1073781078 /nfs/dbraw/zinc/78/10/78/1073781078.db2.gz HVLYWKHWHTUUNN-VQTJNVASSA-N 2 1 377.485 -0.177 20 0 GBADMP C[C@](O)(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720974 1073781072 /nfs/dbraw/zinc/78/10/72/1073781072.db2.gz HVLYWKHWHTUUNN-VQTJNVASSA-N 2 1 377.485 -0.177 20 0 GBADMP C[C@@](O)(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720975 1073781001 /nfs/dbraw/zinc/78/10/01/1073781001.db2.gz HVLYWKHWHTUUNN-WOJBJXKFSA-N 2 1 377.485 -0.177 20 0 GBADMP C[C@@](O)(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000530720975 1073780995 /nfs/dbraw/zinc/78/09/95/1073780995.db2.gz HVLYWKHWHTUUNN-WOJBJXKFSA-N 2 1 377.485 -0.177 20 0 GBADMP C[NH+]1CCC(O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000531336449 1073802804 /nfs/dbraw/zinc/80/28/04/1073802804.db2.gz ADVKBSCKUFRPNL-INIZCTEOSA-N 2 1 382.505 -0.727 20 0 GBADMP C[NH+]1CCC(O)(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000531336450 1073802660 /nfs/dbraw/zinc/80/26/60/1073802660.db2.gz ADVKBSCKUFRPNL-MRXNPFEDSA-N 2 1 382.505 -0.727 20 0 GBADMP Cn1cnc(S(=O)(=O)NCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000531534292 1073812996 /nfs/dbraw/zinc/81/29/96/1073812996.db2.gz JOHMZFYPYVWVOB-UHFFFAOYSA-N 2 1 393.473 -0.516 20 0 GBADMP CCOCCS(=O)(=O)NCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000531557308 1073812375 /nfs/dbraw/zinc/81/23/75/1073812375.db2.gz QXOTXRHPDKWWMJ-UHFFFAOYSA-N 2 1 385.490 -0.272 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000532135910 1073830199 /nfs/dbraw/zinc/83/01/99/1073830199.db2.gz ACQUQKPUJGNYCI-UHFFFAOYSA-N 2 1 382.553 -0.181 20 0 GBADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000532352495 1073838099 /nfs/dbraw/zinc/83/80/99/1073838099.db2.gz JLGIXTTVAFFRIH-UHFFFAOYSA-N 2 1 396.517 -0.651 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583852 530297840 /nfs/dbraw/zinc/29/78/40/530297840.db2.gz ZMBZQVUIYMJMEN-GASCZTMLSA-N 2 1 396.579 -0.596 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583852 530297838 /nfs/dbraw/zinc/29/78/38/530297838.db2.gz ZMBZQVUIYMJMEN-GASCZTMLSA-N 2 1 396.579 -0.596 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583852 530297837 /nfs/dbraw/zinc/29/78/37/530297837.db2.gz ZMBZQVUIYMJMEN-GASCZTMLSA-N 2 1 396.579 -0.596 20 0 GBADMP CS(=O)(=O)N[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583868 530298168 /nfs/dbraw/zinc/29/81/68/530298168.db2.gz ZMBZQVUIYMJMEN-GJZGRUSLSA-N 2 1 396.579 -0.596 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000532583870 530298037 /nfs/dbraw/zinc/29/80/37/530298037.db2.gz ZMBZQVUIYMJMEN-HUUCEWRRSA-N 2 1 396.579 -0.596 20 0 GBADMP CNS(=O)(=O)CCC[NH+](C)[C@H]1CCC[N@@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147760 530361027 /nfs/dbraw/zinc/36/10/27/530361027.db2.gz UMSBTHGZKCRLSH-HNNXBMFYSA-N 2 1 398.595 -0.349 20 0 GBADMP CNS(=O)(=O)CCC[NH+](C)[C@H]1CCC[N@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147760 530361026 /nfs/dbraw/zinc/36/10/26/530361026.db2.gz UMSBTHGZKCRLSH-HNNXBMFYSA-N 2 1 398.595 -0.349 20 0 GBADMP CNS(=O)(=O)CCC[N@@H+](C)[C@H]1CCC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000533147760 530361024 /nfs/dbraw/zinc/36/10/24/530361024.db2.gz UMSBTHGZKCRLSH-HNNXBMFYSA-N 2 1 398.595 -0.349 20 0 GBADMP CNS(=O)(=O)CCC[N@H+](C)[C@H]1CCC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000533147760 530361023 /nfs/dbraw/zinc/36/10/23/530361023.db2.gz UMSBTHGZKCRLSH-HNNXBMFYSA-N 2 1 398.595 -0.349 20 0 GBADMP CNS(=O)(=O)CCC[NH+](C)[C@@H]1CCC[N@@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147761 530361113 /nfs/dbraw/zinc/36/11/13/530361113.db2.gz UMSBTHGZKCRLSH-OAHLLOKOSA-N 2 1 398.595 -0.349 20 0 GBADMP CNS(=O)(=O)CCC[NH+](C)[C@@H]1CCC[N@H+](CCCS(=O)(=O)NC)CC1 ZINC000533147761 530361112 /nfs/dbraw/zinc/36/11/12/530361112.db2.gz UMSBTHGZKCRLSH-OAHLLOKOSA-N 2 1 398.595 -0.349 20 0 GBADMP CNS(=O)(=O)CCC[N@@H+](C)[C@@H]1CCC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000533147761 530361110 /nfs/dbraw/zinc/36/11/10/530361110.db2.gz UMSBTHGZKCRLSH-OAHLLOKOSA-N 2 1 398.595 -0.349 20 0 GBADMP CNS(=O)(=O)CCC[N@H+](C)[C@@H]1CCC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000533147761 530361108 /nfs/dbraw/zinc/36/11/08/530361108.db2.gz UMSBTHGZKCRLSH-OAHLLOKOSA-N 2 1 398.595 -0.349 20 0 GBADMP COC(=O)CN(C)C(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533514226 1072240286 /nfs/dbraw/zinc/24/02/86/1072240286.db2.gz VZSBDKDYRVGTMW-UHFFFAOYSA-N 2 1 382.505 -0.116 20 0 GBADMP CC(C)C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000533930340 1073222554 /nfs/dbraw/zinc/22/25/54/1073222554.db2.gz YCCYHWKEMMMHHD-INIZCTEOSA-N 2 1 398.552 -0.458 20 0 GBADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@H](O)[C@@H](CC)C3)CC2)C[C@H]1O ZINC000535574227 1073299959 /nfs/dbraw/zinc/29/99/59/1073299959.db2.gz IJYFJXSQCVEVFF-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@H](O)[C@@H](CC)C3)CC2)C[C@H]1O ZINC000535574227 1073299953 /nfs/dbraw/zinc/29/99/53/1073299953.db2.gz IJYFJXSQCVEVFF-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP CC[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)[C@@H](CC)C3)CC2)C[C@H]1O ZINC000535574227 1073299948 /nfs/dbraw/zinc/29/99/48/1073299948.db2.gz IJYFJXSQCVEVFF-USTZCAOPSA-N 2 1 396.532 -0.937 20 0 GBADMP CS(=O)(=O)N[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724254 530285296 /nfs/dbraw/zinc/28/52/96/530285296.db2.gz HXNRQXFIWAWASN-KBPBESRZSA-N 2 1 382.552 -0.986 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285093 /nfs/dbraw/zinc/28/50/93/530285093.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 2 1 382.552 -0.986 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285092 /nfs/dbraw/zinc/28/50/92/530285092.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 2 1 382.552 -0.986 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285090 /nfs/dbraw/zinc/28/50/90/530285090.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 2 1 382.552 -0.986 20 0 GBADMP CS(=O)(=O)N[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000535724268 530285321 /nfs/dbraw/zinc/28/53/21/530285321.db2.gz HXNRQXFIWAWASN-ZIAGYGMSSA-N 2 1 382.552 -0.986 20 0 GBADMP CO[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948506 /nfs/dbraw/zinc/94/85/06/1073948506.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 2 1 396.532 -0.121 20 0 GBADMP CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948499 /nfs/dbraw/zinc/94/84/99/1073948499.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 2 1 396.532 -0.121 20 0 GBADMP CO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948493 /nfs/dbraw/zinc/94/84/93/1073948493.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 2 1 396.532 -0.121 20 0 GBADMP CO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](OC)C3)CC2)C1 ZINC000536599258 1073948331 /nfs/dbraw/zinc/94/83/31/1073948331.db2.gz PJGQUTCHULEANV-QZTJIDSGSA-N 2 1 396.532 -0.121 20 0 GBADMP CO[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599259 1073948541 /nfs/dbraw/zinc/94/85/41/1073948541.db2.gz PJGQUTCHULEANV-ROUUACIJSA-N 2 1 396.532 -0.121 20 0 GBADMP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1C[C@@H](C)O ZINC000544298216 1072980031 /nfs/dbraw/zinc/98/00/31/1072980031.db2.gz ZMISOMJFKXTISL-MOPGFXCFSA-N 2 1 399.580 -0.137 20 0 GBADMP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1C[C@H](C)O ZINC000544298217 1072979962 /nfs/dbraw/zinc/97/99/62/1072979962.db2.gz ZMISOMJFKXTISL-OALUTQOASA-N 2 1 399.580 -0.137 20 0 GBADMP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1C[C@H](C)O ZINC000544298218 1072980991 /nfs/dbraw/zinc/98/09/91/1072980991.db2.gz ZMISOMJFKXTISL-RBUKOAKNSA-N 2 1 399.580 -0.137 20 0 GBADMP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1C[C@@H](C)O ZINC000544298219 1072980915 /nfs/dbraw/zinc/98/09/15/1072980915.db2.gz ZMISOMJFKXTISL-RTBURBONSA-N 2 1 399.580 -0.137 20 0 GBADMP NS(=O)(=O)[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398778 530479549 /nfs/dbraw/zinc/47/95/49/530479549.db2.gz GVOCQBRJZPVCFJ-KBPBESRZSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398781 530479785 /nfs/dbraw/zinc/47/97/85/530479785.db2.gz GVOCQBRJZPVCFJ-OKILXGFUSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398781 530479784 /nfs/dbraw/zinc/47/97/84/530479784.db2.gz GVOCQBRJZPVCFJ-OKILXGFUSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398781 530479783 /nfs/dbraw/zinc/47/97/83/530479783.db2.gz GVOCQBRJZPVCFJ-OKILXGFUSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000544398782 530479479 /nfs/dbraw/zinc/47/94/79/530479479.db2.gz GVOCQBRJZPVCFJ-ZIAGYGMSSA-N 2 1 382.552 -0.728 20 0 GBADMP C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CCC[C@@]2(C)CO)CC1 ZINC000544759726 1073718941 /nfs/dbraw/zinc/71/89/41/1073718941.db2.gz QTWNBXCUCJTNGZ-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@]1(CO)CCC[N@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CCC[C@@]2(C)CO)CC1 ZINC000544759726 1073718935 /nfs/dbraw/zinc/71/89/35/1073718935.db2.gz QTWNBXCUCJTNGZ-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@]1(CO)CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000544759726 1073718925 /nfs/dbraw/zinc/71/89/25/1073718925.db2.gz QTWNBXCUCJTNGZ-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@@]1(CO)CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000544759727 1073719209 /nfs/dbraw/zinc/71/92/09/1073719209.db2.gz QTWNBXCUCJTNGZ-PMACEKPBSA-N 2 1 396.532 -0.649 20 0 GBADMP C[C@]1(CO)CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000544759728 1073718534 /nfs/dbraw/zinc/71/85/34/1073718534.db2.gz QTWNBXCUCJTNGZ-WOJBJXKFSA-N 2 1 396.532 -0.649 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000547698779 1072195415 /nfs/dbraw/zinc/19/54/15/1072195415.db2.gz YMSZKHIZQRVNSM-CABCVRRESA-N 2 1 375.477 -0.813 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000547698779 1072195407 /nfs/dbraw/zinc/19/54/07/1072195407.db2.gz YMSZKHIZQRVNSM-CABCVRRESA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698779 1072195404 /nfs/dbraw/zinc/19/54/04/1072195404.db2.gz YMSZKHIZQRVNSM-CABCVRRESA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698779 1072195396 /nfs/dbraw/zinc/19/53/96/1072195396.db2.gz YMSZKHIZQRVNSM-CABCVRRESA-N 2 1 375.477 -0.813 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000547698780 1072195626 /nfs/dbraw/zinc/19/56/26/1072195626.db2.gz YMSZKHIZQRVNSM-GJZGRUSLSA-N 2 1 375.477 -0.813 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000547698780 1072195621 /nfs/dbraw/zinc/19/56/21/1072195621.db2.gz YMSZKHIZQRVNSM-GJZGRUSLSA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698780 1072195616 /nfs/dbraw/zinc/19/56/16/1072195616.db2.gz YMSZKHIZQRVNSM-GJZGRUSLSA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698780 1072195609 /nfs/dbraw/zinc/19/56/09/1072195609.db2.gz YMSZKHIZQRVNSM-GJZGRUSLSA-N 2 1 375.477 -0.813 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000547698781 1072195923 /nfs/dbraw/zinc/19/59/23/1072195923.db2.gz YMSZKHIZQRVNSM-HUUCEWRRSA-N 2 1 375.477 -0.813 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000547698781 1072195919 /nfs/dbraw/zinc/19/59/19/1072195919.db2.gz YMSZKHIZQRVNSM-HUUCEWRRSA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698781 1072195917 /nfs/dbraw/zinc/19/59/17/1072195917.db2.gz YMSZKHIZQRVNSM-HUUCEWRRSA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698781 1072195913 /nfs/dbraw/zinc/19/59/13/1072195913.db2.gz YMSZKHIZQRVNSM-HUUCEWRRSA-N 2 1 375.477 -0.813 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000547698782 1072195516 /nfs/dbraw/zinc/19/55/16/1072195516.db2.gz YMSZKHIZQRVNSM-LSDHHAIUSA-N 2 1 375.477 -0.813 20 0 GBADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000547698782 1072195508 /nfs/dbraw/zinc/19/55/08/1072195508.db2.gz YMSZKHIZQRVNSM-LSDHHAIUSA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698782 1072195499 /nfs/dbraw/zinc/19/54/99/1072195499.db2.gz YMSZKHIZQRVNSM-LSDHHAIUSA-N 2 1 375.477 -0.813 20 0 GBADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000547698782 1072195487 /nfs/dbraw/zinc/19/54/87/1072195487.db2.gz YMSZKHIZQRVNSM-LSDHHAIUSA-N 2 1 375.477 -0.813 20 0 GBADMP CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630051 1072300457 /nfs/dbraw/zinc/30/04/57/1072300457.db2.gz WRBVKHZPGHUIKU-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630051 1072300448 /nfs/dbraw/zinc/30/04/48/1072300448.db2.gz WRBVKHZPGHUIKU-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP CC[C@@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630051 1072300446 /nfs/dbraw/zinc/30/04/46/1072300446.db2.gz WRBVKHZPGHUIKU-BGYRXZFFSA-N 2 1 396.532 -0.649 20 0 GBADMP CC[C@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630052 1072300782 /nfs/dbraw/zinc/30/07/82/1072300782.db2.gz WRBVKHZPGHUIKU-PMACEKPBSA-N 2 1 396.532 -0.649 20 0 GBADMP CC[C@@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](O)(CC)C3)CC2)C1 ZINC000548630053 1072300502 /nfs/dbraw/zinc/30/05/02/1072300502.db2.gz WRBVKHZPGHUIKU-WOJBJXKFSA-N 2 1 396.532 -0.649 20 0 GBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000549882885 1073893030 /nfs/dbraw/zinc/89/30/30/1073893030.db2.gz JFRSQFUXIVLQBF-UHFFFAOYSA-N 2 1 382.505 -0.604 20 0 GBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549883156 1073893081 /nfs/dbraw/zinc/89/30/81/1073893081.db2.gz OKXTVAOLFNWJFD-UHFFFAOYSA-N 2 1 396.532 -0.072 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549938378 1073974648 /nfs/dbraw/zinc/97/46/48/1073974648.db2.gz XZEYWVHPEORDFH-UHFFFAOYSA-N 2 1 395.548 -0.010 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000549944658 1073984133 /nfs/dbraw/zinc/98/41/33/1073984133.db2.gz KUHCCXFWPBUYCO-UHFFFAOYSA-N 2 1 381.521 -0.353 20 0 GBADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000549945001 1072160229 /nfs/dbraw/zinc/16/02/29/1072160229.db2.gz VIIOFWIRGSLGHZ-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000549967247 1072585057 /nfs/dbraw/zinc/58/50/57/1072585057.db2.gz IOJNKNXQOMOGEH-KRWDZBQOSA-N 2 1 395.548 -0.014 20 0 GBADMP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000549967248 1072584926 /nfs/dbraw/zinc/58/49/26/1072584926.db2.gz IOJNKNXQOMOGEH-QGZVFWFLSA-N 2 1 395.548 -0.014 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)N(C)C ZINC000549986440 1072776419 /nfs/dbraw/zinc/77/64/19/1072776419.db2.gz BYVPAEJAHBJQPX-DOTOQJQBSA-N 2 1 391.516 -0.224 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N(C)C ZINC000549986440 1072776413 /nfs/dbraw/zinc/77/64/13/1072776413.db2.gz BYVPAEJAHBJQPX-DOTOQJQBSA-N 2 1 391.516 -0.224 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)N(C)C ZINC000549986441 1072776140 /nfs/dbraw/zinc/77/61/40/1072776140.db2.gz BYVPAEJAHBJQPX-NVXWUHKLSA-N 2 1 391.516 -0.224 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N(C)C ZINC000549986441 1072776131 /nfs/dbraw/zinc/77/61/31/1072776131.db2.gz BYVPAEJAHBJQPX-NVXWUHKLSA-N 2 1 391.516 -0.224 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)N(C)C ZINC000549986442 1072776831 /nfs/dbraw/zinc/77/68/31/1072776831.db2.gz BYVPAEJAHBJQPX-RDJZCZTQSA-N 2 1 391.516 -0.224 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N(C)C ZINC000549986442 1072776827 /nfs/dbraw/zinc/77/68/27/1072776827.db2.gz BYVPAEJAHBJQPX-RDJZCZTQSA-N 2 1 391.516 -0.224 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)N(C)C ZINC000549986443 1072776647 /nfs/dbraw/zinc/77/66/47/1072776647.db2.gz BYVPAEJAHBJQPX-WBVHZDCISA-N 2 1 391.516 -0.224 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N(C)C ZINC000549986443 1072776640 /nfs/dbraw/zinc/77/66/40/1072776640.db2.gz BYVPAEJAHBJQPX-WBVHZDCISA-N 2 1 391.516 -0.224 20 0 GBADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000549993722 1072832768 /nfs/dbraw/zinc/83/27/68/1072832768.db2.gz SKBXRUWEYNVJMO-UHFFFAOYSA-N 2 1 381.521 -0.402 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000550095212 1073018572 /nfs/dbraw/zinc/01/85/72/1073018572.db2.gz FQVUVDYVWQBAQF-MSOLQXFVSA-N 2 1 396.532 -0.360 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000550095212 1073018563 /nfs/dbraw/zinc/01/85/63/1073018563.db2.gz FQVUVDYVWQBAQF-MSOLQXFVSA-N 2 1 396.532 -0.360 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000550095215 1073018472 /nfs/dbraw/zinc/01/84/72/1073018472.db2.gz FQVUVDYVWQBAQF-QZTJIDSGSA-N 2 1 396.532 -0.360 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000550095215 1073018464 /nfs/dbraw/zinc/01/84/64/1073018464.db2.gz FQVUVDYVWQBAQF-QZTJIDSGSA-N 2 1 396.532 -0.360 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000550095218 1073018350 /nfs/dbraw/zinc/01/83/50/1073018350.db2.gz FQVUVDYVWQBAQF-ROUUACIJSA-N 2 1 396.532 -0.360 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000550095218 1073018342 /nfs/dbraw/zinc/01/83/42/1073018342.db2.gz FQVUVDYVWQBAQF-ROUUACIJSA-N 2 1 396.532 -0.360 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000550095220 1073019470 /nfs/dbraw/zinc/01/94/70/1073019470.db2.gz FQVUVDYVWQBAQF-ZWKOTPCHSA-N 2 1 396.532 -0.360 20 0 GBADMP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000550095220 1073019466 /nfs/dbraw/zinc/01/94/66/1073019466.db2.gz FQVUVDYVWQBAQF-ZWKOTPCHSA-N 2 1 396.532 -0.360 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000550189276 1073028650 /nfs/dbraw/zinc/02/86/50/1073028650.db2.gz YODOSOWBONBGOS-IKGGRYGDSA-N 2 1 393.532 -0.260 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550189276 1073028640 /nfs/dbraw/zinc/02/86/40/1073028640.db2.gz YODOSOWBONBGOS-IKGGRYGDSA-N 2 1 393.532 -0.260 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000550189276 1073028629 /nfs/dbraw/zinc/02/86/29/1073028629.db2.gz YODOSOWBONBGOS-IKGGRYGDSA-N 2 1 393.532 -0.260 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000550189282 1073028719 /nfs/dbraw/zinc/02/87/19/1073028719.db2.gz YODOSOWBONBGOS-IXDOHACOSA-N 2 1 393.532 -0.260 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550189282 1073028707 /nfs/dbraw/zinc/02/87/07/1073028707.db2.gz YODOSOWBONBGOS-IXDOHACOSA-N 2 1 393.532 -0.260 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000550189282 1073028694 /nfs/dbraw/zinc/02/86/94/1073028694.db2.gz YODOSOWBONBGOS-IXDOHACOSA-N 2 1 393.532 -0.260 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550265402 1073036322 /nfs/dbraw/zinc/03/63/22/1073036322.db2.gz HLKLABRKKGDKFM-GOSISDBHSA-N 2 1 395.548 -0.547 20 0 GBADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550265402 1073036319 /nfs/dbraw/zinc/03/63/19/1073036319.db2.gz HLKLABRKKGDKFM-GOSISDBHSA-N 2 1 395.548 -0.547 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000550265402 1073036317 /nfs/dbraw/zinc/03/63/17/1073036317.db2.gz HLKLABRKKGDKFM-GOSISDBHSA-N 2 1 395.548 -0.547 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550265403 1073036363 /nfs/dbraw/zinc/03/63/63/1073036363.db2.gz HLKLABRKKGDKFM-SFHVURJKSA-N 2 1 395.548 -0.547 20 0 GBADMP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550265403 1073036356 /nfs/dbraw/zinc/03/63/56/1073036356.db2.gz HLKLABRKKGDKFM-SFHVURJKSA-N 2 1 395.548 -0.547 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000550265403 1073036346 /nfs/dbraw/zinc/03/63/46/1073036346.db2.gz HLKLABRKKGDKFM-SFHVURJKSA-N 2 1 395.548 -0.547 20 0 GBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000550266687 1073035919 /nfs/dbraw/zinc/03/59/19/1073035919.db2.gz YZSNRPNXUQCUCK-KRWDZBQOSA-N 2 1 381.521 -0.937 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000550266688 1073035716 /nfs/dbraw/zinc/03/57/16/1073035716.db2.gz YZSNRPNXUQCUCK-QGZVFWFLSA-N 2 1 381.521 -0.937 20 0 GBADMP C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCOCC1 ZINC000550269729 1073036031 /nfs/dbraw/zinc/03/60/31/1073036031.db2.gz AHNSTYZUCQIJLJ-MRXNPFEDSA-N 2 1 382.505 -0.463 20 0 GBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCOCC1 ZINC000550269729 1073036028 /nfs/dbraw/zinc/03/60/28/1073036028.db2.gz AHNSTYZUCQIJLJ-MRXNPFEDSA-N 2 1 382.505 -0.463 20 0 GBADMP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550358838 1073125256 /nfs/dbraw/zinc/12/52/56/1073125256.db2.gz XCEJTBYPXVCWIR-DLBZAZTESA-N 2 1 383.537 -0.789 20 0 GBADMP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550358839 1073125174 /nfs/dbraw/zinc/12/51/74/1073125174.db2.gz XCEJTBYPXVCWIR-IAGOWNOFSA-N 2 1 383.537 -0.789 20 0 GBADMP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550358840 1073125351 /nfs/dbraw/zinc/12/53/51/1073125351.db2.gz XCEJTBYPXVCWIR-IRXDYDNUSA-N 2 1 383.537 -0.789 20 0 GBADMP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000550358841 1073125033 /nfs/dbraw/zinc/12/50/33/1073125033.db2.gz XCEJTBYPXVCWIR-SJORKVTESA-N 2 1 383.537 -0.789 20 0 GBADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC1)C2 ZINC000550375555 1073126984 /nfs/dbraw/zinc/12/69/84/1073126984.db2.gz GUJBEMLQUHICEA-JWTNVVGKSA-N 2 1 377.533 -0.034 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000550381727 1073129458 /nfs/dbraw/zinc/12/94/58/1073129458.db2.gz MAAAFALKEDCOSZ-JQHSSLGASA-N 2 1 379.549 -0.027 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000550381729 1073129029 /nfs/dbraw/zinc/12/90/29/1073129029.db2.gz MAAAFALKEDCOSZ-NJAFHUGGSA-N 2 1 379.549 -0.027 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000550381730 1073128734 /nfs/dbraw/zinc/12/87/34/1073128734.db2.gz MAAAFALKEDCOSZ-NXHRZFHOSA-N 2 1 379.549 -0.027 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000550381731 1073129192 /nfs/dbraw/zinc/12/91/92/1073129192.db2.gz MAAAFALKEDCOSZ-SZMVWBNQSA-N 2 1 379.549 -0.027 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382350 1073129148 /nfs/dbraw/zinc/12/91/48/1073129148.db2.gz RUMXOABUEQZTMH-AEFFLSMTSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382350 1073129146 /nfs/dbraw/zinc/12/91/46/1073129146.db2.gz RUMXOABUEQZTMH-AEFFLSMTSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382350 1073129138 /nfs/dbraw/zinc/12/91/38/1073129138.db2.gz RUMXOABUEQZTMH-AEFFLSMTSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382351 1073128847 /nfs/dbraw/zinc/12/88/47/1073128847.db2.gz RUMXOABUEQZTMH-FUHWJXTLSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382351 1073128842 /nfs/dbraw/zinc/12/88/42/1073128842.db2.gz RUMXOABUEQZTMH-FUHWJXTLSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382351 1073128831 /nfs/dbraw/zinc/12/88/31/1073128831.db2.gz RUMXOABUEQZTMH-FUHWJXTLSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382352 1073129434 /nfs/dbraw/zinc/12/94/34/1073129434.db2.gz RUMXOABUEQZTMH-SJLPKXTDSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382352 1073129428 /nfs/dbraw/zinc/12/94/28/1073129428.db2.gz RUMXOABUEQZTMH-SJLPKXTDSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382352 1073129413 /nfs/dbraw/zinc/12/94/13/1073129413.db2.gz RUMXOABUEQZTMH-SJLPKXTDSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382353 1073129246 /nfs/dbraw/zinc/12/92/46/1073129246.db2.gz RUMXOABUEQZTMH-WMZOPIPTSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000550382353 1073129243 /nfs/dbraw/zinc/12/92/43/1073129243.db2.gz RUMXOABUEQZTMH-WMZOPIPTSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382353 1073129232 /nfs/dbraw/zinc/12/92/32/1073129232.db2.gz RUMXOABUEQZTMH-WMZOPIPTSA-N 2 1 379.549 -0.025 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000550456024 1073249685 /nfs/dbraw/zinc/24/96/85/1073249685.db2.gz QJQJGMFIFFQLNW-GOSISDBHSA-N 2 1 397.564 -0.397 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000550456025 1073249481 /nfs/dbraw/zinc/24/94/81/1073249481.db2.gz QJQJGMFIFFQLNW-SFHVURJKSA-N 2 1 397.564 -0.397 20 0 GBADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000550478492 1073298256 /nfs/dbraw/zinc/29/82/56/1073298256.db2.gz BHEMYXDMQMJLFH-UHFFFAOYSA-N 2 1 389.500 -0.355 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000550482744 1073299345 /nfs/dbraw/zinc/29/93/45/1073299345.db2.gz FYLAEKIMLJVREB-KRWDZBQOSA-N 2 1 397.564 -0.254 20 0 GBADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000550482744 1073299338 /nfs/dbraw/zinc/29/93/38/1073299338.db2.gz FYLAEKIMLJVREB-KRWDZBQOSA-N 2 1 397.564 -0.254 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000550482744 1073299331 /nfs/dbraw/zinc/29/93/31/1073299331.db2.gz FYLAEKIMLJVREB-KRWDZBQOSA-N 2 1 397.564 -0.254 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000550482745 1073299281 /nfs/dbraw/zinc/29/92/81/1073299281.db2.gz FYLAEKIMLJVREB-QGZVFWFLSA-N 2 1 397.564 -0.254 20 0 GBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC000550482745 1073299272 /nfs/dbraw/zinc/29/92/72/1073299272.db2.gz FYLAEKIMLJVREB-QGZVFWFLSA-N 2 1 397.564 -0.254 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000550482745 1073299269 /nfs/dbraw/zinc/29/92/69/1073299269.db2.gz FYLAEKIMLJVREB-QGZVFWFLSA-N 2 1 397.564 -0.254 20 0 GBADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000550495333 1073301127 /nfs/dbraw/zinc/30/11/27/1073301127.db2.gz MYPVOHPIZXAGNB-UHFFFAOYSA-N 2 1 381.521 -0.401 20 0 GBADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000550554415 1073315160 /nfs/dbraw/zinc/31/51/60/1073315160.db2.gz NHUIHSFEQXYTEB-UHFFFAOYSA-N 2 1 397.564 -0.302 20 0 GBADMP CC[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000557380016 1072461867 /nfs/dbraw/zinc/46/18/67/1072461867.db2.gz QQBBSKKYDVAUAJ-INIZCTEOSA-N 2 1 379.505 -0.648 20 0 GBADMP CC[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000557380016 1072461856 /nfs/dbraw/zinc/46/18/56/1072461856.db2.gz QQBBSKKYDVAUAJ-INIZCTEOSA-N 2 1 379.505 -0.648 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000557380016 1072461849 /nfs/dbraw/zinc/46/18/49/1072461849.db2.gz QQBBSKKYDVAUAJ-INIZCTEOSA-N 2 1 379.505 -0.648 20 0 GBADMP O=C(NCC[NH+]1CCSCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557692857 1072832438 /nfs/dbraw/zinc/83/24/38/1072832438.db2.gz LLADNOWRQIJZNL-UHFFFAOYSA-N 2 1 384.546 -0.087 20 0 GBADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000559461415 1072309278 /nfs/dbraw/zinc/30/92/78/1072309278.db2.gz YHXQRLBOIDDCQG-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000560013450 1072353567 /nfs/dbraw/zinc/35/35/67/1072353567.db2.gz PNEVMYKOISJQAR-KRWDZBQOSA-N 2 1 396.580 -0.872 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000560013450 1072353554 /nfs/dbraw/zinc/35/35/54/1072353554.db2.gz PNEVMYKOISJQAR-KRWDZBQOSA-N 2 1 396.580 -0.872 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000560013450 1072353542 /nfs/dbraw/zinc/35/35/42/1072353542.db2.gz PNEVMYKOISJQAR-KRWDZBQOSA-N 2 1 396.580 -0.872 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000560013457 1072353167 /nfs/dbraw/zinc/35/31/67/1072353167.db2.gz PNEVMYKOISJQAR-QGZVFWFLSA-N 2 1 396.580 -0.872 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000560013457 1072353162 /nfs/dbraw/zinc/35/31/62/1072353162.db2.gz PNEVMYKOISJQAR-QGZVFWFLSA-N 2 1 396.580 -0.872 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000560013457 1072353157 /nfs/dbraw/zinc/35/31/57/1072353157.db2.gz PNEVMYKOISJQAR-QGZVFWFLSA-N 2 1 396.580 -0.872 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000561758419 1072472424 /nfs/dbraw/zinc/47/24/24/1072472424.db2.gz PCUGCBLBSSVOSC-HNNXBMFYSA-N 2 1 381.521 -0.545 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000561758419 1072472421 /nfs/dbraw/zinc/47/24/21/1072472421.db2.gz PCUGCBLBSSVOSC-HNNXBMFYSA-N 2 1 381.521 -0.545 20 0 GBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000563060740 1073300357 /nfs/dbraw/zinc/30/03/57/1073300357.db2.gz NFCOKQXTEHCVKC-KRWDZBQOSA-N 2 1 387.484 -0.441 20 0 GBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000563060741 1073300342 /nfs/dbraw/zinc/30/03/42/1073300342.db2.gz NFCOKQXTEHCVKC-QGZVFWFLSA-N 2 1 387.484 -0.441 20 0 GBADMP [NH3+]CCCn1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000563063979 1073309392 /nfs/dbraw/zinc/30/93/92/1073309392.db2.gz CVFKISVIIVJQIM-UHFFFAOYSA-N 2 1 385.472 -0.299 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000563257173 1072316122 /nfs/dbraw/zinc/31/61/22/1072316122.db2.gz IVCQFUINGUHKCC-INIZCTEOSA-N 2 1 384.521 -0.624 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000563257173 1072316115 /nfs/dbraw/zinc/31/61/15/1072316115.db2.gz IVCQFUINGUHKCC-INIZCTEOSA-N 2 1 384.521 -0.624 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000563257177 1072316246 /nfs/dbraw/zinc/31/62/46/1072316246.db2.gz IVCQFUINGUHKCC-MRXNPFEDSA-N 2 1 384.521 -0.624 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCOCC1 ZINC000563257177 1072316242 /nfs/dbraw/zinc/31/62/42/1072316242.db2.gz IVCQFUINGUHKCC-MRXNPFEDSA-N 2 1 384.521 -0.624 20 0 GBADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000563333760 1072348213 /nfs/dbraw/zinc/34/82/13/1072348213.db2.gz CMFDXPHQCVGXDS-UHFFFAOYSA-N 2 1 397.564 -0.302 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563640761 1073870630 /nfs/dbraw/zinc/87/06/30/1073870630.db2.gz UUMBSKRVIGFRLG-NVXWUHKLSA-N 2 1 387.484 -0.829 20 0 GBADMP NS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468762 530495074 /nfs/dbraw/zinc/49/50/74/530495074.db2.gz KFBTXYUTVBXVGD-GASCZTMLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468762 530495073 /nfs/dbraw/zinc/49/50/73/530495073.db2.gz KFBTXYUTVBXVGD-GASCZTMLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCCCC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468762 530495070 /nfs/dbraw/zinc/49/50/70/530495070.db2.gz KFBTXYUTVBXVGD-GASCZTMLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)C[C@@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468763 530495122 /nfs/dbraw/zinc/49/51/22/530495122.db2.gz KFBTXYUTVBXVGD-GJZGRUSLSA-N 2 1 396.579 -0.338 20 0 GBADMP NS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000564468764 530495351 /nfs/dbraw/zinc/49/53/51/530495351.db2.gz KFBTXYUTVBXVGD-HUUCEWRRSA-N 2 1 396.579 -0.338 20 0 GBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000564660475 1072309039 /nfs/dbraw/zinc/30/90/39/1072309039.db2.gz JIINJHCBAMNBRE-KRWDZBQOSA-N 2 1 394.564 -0.975 20 0 GBADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000564660481 1072308964 /nfs/dbraw/zinc/30/89/64/1072308964.db2.gz JIINJHCBAMNBRE-QGZVFWFLSA-N 2 1 394.564 -0.975 20 0 GBADMP NS(=O)(=O)CCC[NH+]1CCCC2(CCC[N@H+](CCCS(N)(=O)=O)C2)C1 ZINC000566943199 530499880 /nfs/dbraw/zinc/49/98/80/530499880.db2.gz FZSROHSVDNOAMT-UHFFFAOYSA-N 2 1 396.579 -0.478 20 0 GBADMP NS(=O)(=O)CCC[NH+]1CCCC2(CCC[N@@H+](CCCS(N)(=O)=O)C2)C1 ZINC000566943199 530499879 /nfs/dbraw/zinc/49/98/79/530499879.db2.gz FZSROHSVDNOAMT-UHFFFAOYSA-N 2 1 396.579 -0.478 20 0 GBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000570177523 1072846329 /nfs/dbraw/zinc/84/63/29/1072846329.db2.gz UHOCAQPTIJCWMQ-DLBZAZTESA-N 2 1 393.532 -0.448 20 0 GBADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000570177523 1072846320 /nfs/dbraw/zinc/84/63/20/1072846320.db2.gz UHOCAQPTIJCWMQ-DLBZAZTESA-N 2 1 393.532 -0.448 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000570177523 1072846305 /nfs/dbraw/zinc/84/63/05/1072846305.db2.gz UHOCAQPTIJCWMQ-DLBZAZTESA-N 2 1 393.532 -0.448 20 0 GBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000570177526 1072847381 /nfs/dbraw/zinc/84/73/81/1072847381.db2.gz UHOCAQPTIJCWMQ-SJORKVTESA-N 2 1 393.532 -0.448 20 0 GBADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000570177526 1072847362 /nfs/dbraw/zinc/84/73/62/1072847362.db2.gz UHOCAQPTIJCWMQ-SJORKVTESA-N 2 1 393.532 -0.448 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000570177526 1072847349 /nfs/dbraw/zinc/84/73/49/1072847349.db2.gz UHOCAQPTIJCWMQ-SJORKVTESA-N 2 1 393.532 -0.448 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000570266355 1072858345 /nfs/dbraw/zinc/85/83/45/1072858345.db2.gz URBZEHQBRFYMMQ-KRWDZBQOSA-N 2 1 393.532 -0.256 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000570266356 1072857953 /nfs/dbraw/zinc/85/79/53/1072857953.db2.gz URBZEHQBRFYMMQ-QGZVFWFLSA-N 2 1 393.532 -0.256 20 0 GBADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000570298363 1072863522 /nfs/dbraw/zinc/86/35/22/1072863522.db2.gz OEMPBILTJDLQLI-DLBZAZTESA-N 2 1 391.516 -0.694 20 0 GBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000574911276 1072944259 /nfs/dbraw/zinc/94/42/59/1072944259.db2.gz YOGVOJJMFTZZHB-ZACQAIPSSA-N 2 1 391.516 -0.648 20 0 GBADMP CN(CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)S(C)(=O)=O ZINC000575803880 530509943 /nfs/dbraw/zinc/50/99/43/530509943.db2.gz RCUPMZCZQHRXMH-AWEZNQCLSA-N 2 1 376.523 -0.929 20 0 GBADMP CN(CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)S(C)(=O)=O ZINC000575803880 530509941 /nfs/dbraw/zinc/50/99/41/530509941.db2.gz RCUPMZCZQHRXMH-AWEZNQCLSA-N 2 1 376.523 -0.929 20 0 GBADMP CN(CCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)S(C)(=O)=O ZINC000575803881 530509691 /nfs/dbraw/zinc/50/96/91/530509691.db2.gz RCUPMZCZQHRXMH-CQSZACIVSA-N 2 1 376.523 -0.929 20 0 GBADMP CN(CCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)S(C)(=O)=O ZINC000575803881 530509687 /nfs/dbraw/zinc/50/96/87/530509687.db2.gz RCUPMZCZQHRXMH-CQSZACIVSA-N 2 1 376.523 -0.929 20 0 GBADMP COC(=O)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000576461651 1073935343 /nfs/dbraw/zinc/93/53/43/1073935343.db2.gz CWQQUXINPMJHOY-CVEARBPZSA-N 2 1 376.457 -0.110 20 0 GBADMP COC(=O)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000576461652 1073935683 /nfs/dbraw/zinc/93/56/83/1073935683.db2.gz CWQQUXINPMJHOY-HOTGVXAUSA-N 2 1 376.457 -0.110 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000578732237 1073016603 /nfs/dbraw/zinc/01/66/03/1073016603.db2.gz VONDDYNUBVQVFF-KRWDZBQOSA-N 2 1 393.532 -0.212 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000578732237 1073016594 /nfs/dbraw/zinc/01/65/94/1073016594.db2.gz VONDDYNUBVQVFF-KRWDZBQOSA-N 2 1 393.532 -0.212 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000578732238 1073016750 /nfs/dbraw/zinc/01/67/50/1073016750.db2.gz VONDDYNUBVQVFF-QGZVFWFLSA-N 2 1 393.532 -0.212 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000578732238 1073016739 /nfs/dbraw/zinc/01/67/39/1073016739.db2.gz VONDDYNUBVQVFF-QGZVFWFLSA-N 2 1 393.532 -0.212 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000579342584 1073164745 /nfs/dbraw/zinc/16/47/45/1073164745.db2.gz UJYBXEXLEKNXSF-FGTMMUONSA-N 2 1 394.564 -0.895 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000579342585 1073164771 /nfs/dbraw/zinc/16/47/71/1073164771.db2.gz UJYBXEXLEKNXSF-KSZLIROESA-N 2 1 394.564 -0.895 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000579726070 1072129144 /nfs/dbraw/zinc/12/91/44/1072129144.db2.gz CXVRYEXTXQSXIZ-INIZCTEOSA-N 2 1 395.548 -0.108 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000579726070 1072129138 /nfs/dbraw/zinc/12/91/38/1072129138.db2.gz CXVRYEXTXQSXIZ-INIZCTEOSA-N 2 1 395.548 -0.108 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000579726071 1072129102 /nfs/dbraw/zinc/12/91/02/1072129102.db2.gz CXVRYEXTXQSXIZ-MRXNPFEDSA-N 2 1 395.548 -0.108 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000579726071 1072129097 /nfs/dbraw/zinc/12/90/97/1072129097.db2.gz CXVRYEXTXQSXIZ-MRXNPFEDSA-N 2 1 395.548 -0.108 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000579845518 1072188343 /nfs/dbraw/zinc/18/83/43/1072188343.db2.gz SNDOHAPPOPBMHO-HNNXBMFYSA-N 2 1 384.521 -0.483 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000579845518 1072188337 /nfs/dbraw/zinc/18/83/37/1072188337.db2.gz SNDOHAPPOPBMHO-HNNXBMFYSA-N 2 1 384.521 -0.483 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000579845519 1072188640 /nfs/dbraw/zinc/18/86/40/1072188640.db2.gz SNDOHAPPOPBMHO-OAHLLOKOSA-N 2 1 384.521 -0.483 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000579845519 1072188636 /nfs/dbraw/zinc/18/86/36/1072188636.db2.gz SNDOHAPPOPBMHO-OAHLLOKOSA-N 2 1 384.521 -0.483 20 0 GBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000579869965 1072224508 /nfs/dbraw/zinc/22/45/08/1072224508.db2.gz ARSHQAYFJUVEEG-HNNXBMFYSA-N 2 1 381.521 -0.367 20 0 GBADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000579869966 1072224371 /nfs/dbraw/zinc/22/43/71/1072224371.db2.gz ARSHQAYFJUVEEG-OAHLLOKOSA-N 2 1 381.521 -0.367 20 0 GBADMP O=C(CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000579932294 1072301687 /nfs/dbraw/zinc/30/16/87/1072301687.db2.gz GJGOVHYMDHFSTJ-IBGZPJMESA-N 2 1 375.473 -0.646 20 0 GBADMP O=C(CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000579932295 1072301783 /nfs/dbraw/zinc/30/17/83/1072301783.db2.gz GJGOVHYMDHFSTJ-LJQANCHMSA-N 2 1 375.473 -0.646 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579961556 1072329225 /nfs/dbraw/zinc/32/92/25/1072329225.db2.gz LQHPSBDDKYYNKK-MSOLQXFVSA-N 2 1 393.532 -0.794 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579961557 1072329206 /nfs/dbraw/zinc/32/92/06/1072329206.db2.gz LQHPSBDDKYYNKK-QZTJIDSGSA-N 2 1 393.532 -0.794 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579961582 1072329122 /nfs/dbraw/zinc/32/91/22/1072329122.db2.gz LQHPSBDDKYYNKK-ROUUACIJSA-N 2 1 393.532 -0.794 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579961583 1072329573 /nfs/dbraw/zinc/32/95/73/1072329573.db2.gz LQHPSBDDKYYNKK-ZWKOTPCHSA-N 2 1 393.532 -0.794 20 0 GBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990210 1072343820 /nfs/dbraw/zinc/34/38/20/1072343820.db2.gz RYZJMNBZQYWYCS-DLBZAZTESA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990210 1072343814 /nfs/dbraw/zinc/34/38/14/1072343814.db2.gz RYZJMNBZQYWYCS-DLBZAZTESA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990210 1072343808 /nfs/dbraw/zinc/34/38/08/1072343808.db2.gz RYZJMNBZQYWYCS-DLBZAZTESA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990211 1072343731 /nfs/dbraw/zinc/34/37/31/1072343731.db2.gz RYZJMNBZQYWYCS-IAGOWNOFSA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990211 1072343719 /nfs/dbraw/zinc/34/37/19/1072343719.db2.gz RYZJMNBZQYWYCS-IAGOWNOFSA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990211 1072343710 /nfs/dbraw/zinc/34/37/10/1072343710.db2.gz RYZJMNBZQYWYCS-IAGOWNOFSA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990212 1072343942 /nfs/dbraw/zinc/34/39/42/1072343942.db2.gz RYZJMNBZQYWYCS-IRXDYDNUSA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990212 1072343936 /nfs/dbraw/zinc/34/39/36/1072343936.db2.gz RYZJMNBZQYWYCS-IRXDYDNUSA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990212 1072343929 /nfs/dbraw/zinc/34/39/29/1072343929.db2.gz RYZJMNBZQYWYCS-IRXDYDNUSA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990213 1072343593 /nfs/dbraw/zinc/34/35/93/1072343593.db2.gz RYZJMNBZQYWYCS-SJORKVTESA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990213 1072343579 /nfs/dbraw/zinc/34/35/79/1072343579.db2.gz RYZJMNBZQYWYCS-SJORKVTESA-N 2 1 395.548 -0.107 20 0 GBADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990213 1072343570 /nfs/dbraw/zinc/34/35/70/1072343570.db2.gz RYZJMNBZQYWYCS-SJORKVTESA-N 2 1 395.548 -0.107 20 0 GBADMP CC[NH+]1CCC(CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000580106583 1072986086 /nfs/dbraw/zinc/98/60/86/1072986086.db2.gz WVGGFFWMMXGVKG-KRWDZBQOSA-N 2 1 395.548 -0.072 20 0 GBADMP CC[NH+]1CCC(CCNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000580106584 1072422520 /nfs/dbraw/zinc/42/25/20/1072422520.db2.gz WVGGFFWMMXGVKG-QGZVFWFLSA-N 2 1 395.548 -0.072 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580215419 1072436879 /nfs/dbraw/zinc/43/68/79/1072436879.db2.gz DYQQOHAIGPREQR-GDBMZVCRSA-N 2 1 393.532 -0.165 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580215420 1072437150 /nfs/dbraw/zinc/43/71/50/1072437150.db2.gz DYQQOHAIGPREQR-GOEBONIOSA-N 2 1 393.532 -0.165 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580215421 1072436827 /nfs/dbraw/zinc/43/68/27/1072436827.db2.gz DYQQOHAIGPREQR-HOCLYGCPSA-N 2 1 393.532 -0.165 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580215422 1072436921 /nfs/dbraw/zinc/43/69/21/1072436921.db2.gz DYQQOHAIGPREQR-ZBFHGGJFSA-N 2 1 393.532 -0.165 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000580330365 1072445586 /nfs/dbraw/zinc/44/55/86/1072445586.db2.gz HOAPJJNRUSPSTE-AWEZNQCLSA-N 2 1 381.521 -0.308 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000580330366 1072445977 /nfs/dbraw/zinc/44/59/77/1072445977.db2.gz HOAPJJNRUSPSTE-CQSZACIVSA-N 2 1 381.521 -0.308 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000580416154 1072460158 /nfs/dbraw/zinc/46/01/58/1072460158.db2.gz YXUHISMLUXTQBH-BRWVUGGUSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000580416154 1072460157 /nfs/dbraw/zinc/46/01/57/1072460157.db2.gz YXUHISMLUXTQBH-BRWVUGGUSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416154 1072460156 /nfs/dbraw/zinc/46/01/56/1072460156.db2.gz YXUHISMLUXTQBH-BRWVUGGUSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000580416155 1072460187 /nfs/dbraw/zinc/46/01/87/1072460187.db2.gz YXUHISMLUXTQBH-IKGGRYGDSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000580416155 1072460186 /nfs/dbraw/zinc/46/01/86/1072460186.db2.gz YXUHISMLUXTQBH-IKGGRYGDSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416155 1072460185 /nfs/dbraw/zinc/46/01/85/1072460185.db2.gz YXUHISMLUXTQBH-IKGGRYGDSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000580416156 1072460072 /nfs/dbraw/zinc/46/00/72/1072460072.db2.gz YXUHISMLUXTQBH-IXDOHACOSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000580416156 1072460068 /nfs/dbraw/zinc/46/00/68/1072460068.db2.gz YXUHISMLUXTQBH-IXDOHACOSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416156 1072460065 /nfs/dbraw/zinc/46/00/65/1072460065.db2.gz YXUHISMLUXTQBH-IXDOHACOSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000580416157 1072460140 /nfs/dbraw/zinc/46/01/40/1072460140.db2.gz YXUHISMLUXTQBH-ZACQAIPSSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000580416157 1072460139 /nfs/dbraw/zinc/46/01/39/1072460139.db2.gz YXUHISMLUXTQBH-ZACQAIPSSA-N 2 1 395.548 -0.073 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416157 1072460137 /nfs/dbraw/zinc/46/01/37/1072460137.db2.gz YXUHISMLUXTQBH-ZACQAIPSSA-N 2 1 395.548 -0.073 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000580427542 1072460728 /nfs/dbraw/zinc/46/07/28/1072460728.db2.gz CBCDNBNPTRAAHM-INIZCTEOSA-N 2 1 399.503 -0.065 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000580427543 1072461005 /nfs/dbraw/zinc/46/10/05/1072461005.db2.gz CBCDNBNPTRAAHM-MRXNPFEDSA-N 2 1 399.503 -0.065 20 0 GBADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1S(N)(=O)=O ZINC000580445924 1072462761 /nfs/dbraw/zinc/46/27/61/1072462761.db2.gz MOHWMRNAJLQTAZ-ZDUSSCGKSA-N 2 1 397.501 -0.632 20 0 GBADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1S(N)(=O)=O ZINC000580445924 1072462758 /nfs/dbraw/zinc/46/27/58/1072462758.db2.gz MOHWMRNAJLQTAZ-ZDUSSCGKSA-N 2 1 397.501 -0.632 20 0 GBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000580471395 1072465321 /nfs/dbraw/zinc/46/53/21/1072465321.db2.gz QJLRTTZQCXWGFT-UHFFFAOYSA-N 2 1 397.564 -0.443 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000580476631 1072465203 /nfs/dbraw/zinc/46/52/03/1072465203.db2.gz ASUVYDJBDZNCJG-FGTMMUONSA-N 2 1 396.532 -0.293 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580476632 1072465273 /nfs/dbraw/zinc/46/52/73/1072465273.db2.gz ASUVYDJBDZNCJG-KURKYZTESA-N 2 1 396.532 -0.293 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580476633 1072465216 /nfs/dbraw/zinc/46/52/16/1072465216.db2.gz ASUVYDJBDZNCJG-KZNAEPCWSA-N 2 1 396.532 -0.293 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000580476634 1072465291 /nfs/dbraw/zinc/46/52/91/1072465291.db2.gz ASUVYDJBDZNCJG-SQNIBIBYSA-N 2 1 396.532 -0.293 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000580562076 1072473036 /nfs/dbraw/zinc/47/30/36/1072473036.db2.gz LCNLDJCPBQBVQL-UHFFFAOYSA-N 2 1 383.537 -0.644 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580631220 1072477737 /nfs/dbraw/zinc/47/77/37/1072477737.db2.gz TYJBYRQEYSANGH-CVEARBPZSA-N 2 1 393.532 -0.260 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580631221 1072477506 /nfs/dbraw/zinc/47/75/06/1072477506.db2.gz TYJBYRQEYSANGH-HOTGVXAUSA-N 2 1 393.532 -0.260 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580631222 1072477405 /nfs/dbraw/zinc/47/74/05/1072477405.db2.gz TYJBYRQEYSANGH-HZPDHXFCSA-N 2 1 393.532 -0.260 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000580631223 1072477251 /nfs/dbraw/zinc/47/72/51/1072477251.db2.gz TYJBYRQEYSANGH-JKSUJKDBSA-N 2 1 393.532 -0.260 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000580659275 1072478384 /nfs/dbraw/zinc/47/83/84/1072478384.db2.gz JDCMLEOEUYERES-DJIMGWMZSA-N 2 1 387.484 -0.607 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000580659281 1072478435 /nfs/dbraw/zinc/47/84/35/1072478435.db2.gz JDCMLEOEUYERES-HYVNUMGLSA-N 2 1 387.484 -0.607 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000580659282 1072479450 /nfs/dbraw/zinc/47/94/50/1072479450.db2.gz JDCMLEOEUYERES-OIISXLGYSA-N 2 1 387.484 -0.607 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000580659283 1072479382 /nfs/dbraw/zinc/47/93/82/1072479382.db2.gz JDCMLEOEUYERES-PVAVHDDUSA-N 2 1 387.484 -0.607 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000580700437 1072481241 /nfs/dbraw/zinc/48/12/41/1072481241.db2.gz HIJLHELXNHWTTD-DLBZAZTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000580700438 1072481580 /nfs/dbraw/zinc/48/15/80/1072481580.db2.gz HIJLHELXNHWTTD-IAGOWNOFSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000580700439 1072481223 /nfs/dbraw/zinc/48/12/23/1072481223.db2.gz HIJLHELXNHWTTD-IRXDYDNUSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000580700440 1072481433 /nfs/dbraw/zinc/48/14/33/1072481433.db2.gz HIJLHELXNHWTTD-SJORKVTESA-N 2 1 391.516 -0.552 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+](C)C ZINC000580705889 1072481984 /nfs/dbraw/zinc/48/19/84/1072481984.db2.gz BKZALSATQCIDPR-GDBMZVCRSA-N 2 1 377.489 -0.485 20 0 GBADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000580705891 1072482156 /nfs/dbraw/zinc/48/21/56/1072482156.db2.gz BKZALSATQCIDPR-GOEBONIOSA-N 2 1 377.489 -0.485 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000580705894 1072482149 /nfs/dbraw/zinc/48/21/49/1072482149.db2.gz BKZALSATQCIDPR-HOCLYGCPSA-N 2 1 377.489 -0.485 20 0 GBADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+](C)C ZINC000580705895 1072482245 /nfs/dbraw/zinc/48/22/45/1072482245.db2.gz BKZALSATQCIDPR-ZBFHGGJFSA-N 2 1 377.489 -0.485 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000580778291 1072494254 /nfs/dbraw/zinc/49/42/54/1072494254.db2.gz HSSPJLMIZZGVMJ-KRWDZBQOSA-N 2 1 393.532 -0.258 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000580778297 1072494241 /nfs/dbraw/zinc/49/42/41/1072494241.db2.gz HSSPJLMIZZGVMJ-QGZVFWFLSA-N 2 1 393.532 -0.258 20 0 GBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000580787542 1072496480 /nfs/dbraw/zinc/49/64/80/1072496480.db2.gz IXGPJPHHIKDJDM-CVEARBPZSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000580787542 1072496475 /nfs/dbraw/zinc/49/64/75/1072496475.db2.gz IXGPJPHHIKDJDM-CVEARBPZSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000580787545 1072496408 /nfs/dbraw/zinc/49/64/08/1072496408.db2.gz IXGPJPHHIKDJDM-HOTGVXAUSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000580787545 1072496404 /nfs/dbraw/zinc/49/64/04/1072496404.db2.gz IXGPJPHHIKDJDM-HOTGVXAUSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000580787546 1072496440 /nfs/dbraw/zinc/49/64/40/1072496440.db2.gz IXGPJPHHIKDJDM-HZPDHXFCSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000580787546 1072496436 /nfs/dbraw/zinc/49/64/36/1072496436.db2.gz IXGPJPHHIKDJDM-HZPDHXFCSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000580787547 1072496461 /nfs/dbraw/zinc/49/64/61/1072496461.db2.gz IXGPJPHHIKDJDM-JKSUJKDBSA-N 2 1 381.521 -0.545 20 0 GBADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000580787547 1072496457 /nfs/dbraw/zinc/49/64/57/1072496457.db2.gz IXGPJPHHIKDJDM-JKSUJKDBSA-N 2 1 381.521 -0.545 20 0 GBADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000580824144 1072503539 /nfs/dbraw/zinc/50/35/39/1072503539.db2.gz QDUDDUGJXVSMQG-INIZCTEOSA-N 2 1 381.521 -0.497 20 0 GBADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000580824144 1072503529 /nfs/dbraw/zinc/50/35/29/1072503529.db2.gz QDUDDUGJXVSMQG-INIZCTEOSA-N 2 1 381.521 -0.497 20 0 GBADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000580824145 1072503641 /nfs/dbraw/zinc/50/36/41/1072503641.db2.gz QDUDDUGJXVSMQG-MRXNPFEDSA-N 2 1 381.521 -0.497 20 0 GBADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000580824145 1072503634 /nfs/dbraw/zinc/50/36/34/1072503634.db2.gz QDUDDUGJXVSMQG-MRXNPFEDSA-N 2 1 381.521 -0.497 20 0 GBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000580904230 1072511779 /nfs/dbraw/zinc/51/17/79/1072511779.db2.gz HWHMFVPELQCYJA-FGTMMUONSA-N 2 1 399.495 -0.462 20 0 GBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000580904231 1072512255 /nfs/dbraw/zinc/51/22/55/1072512255.db2.gz HWHMFVPELQCYJA-KZNAEPCWSA-N 2 1 399.495 -0.462 20 0 GBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000580904232 1072512147 /nfs/dbraw/zinc/51/21/47/1072512147.db2.gz HWHMFVPELQCYJA-OKZBNKHCSA-N 2 1 399.495 -0.462 20 0 GBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000580904233 1072512349 /nfs/dbraw/zinc/51/23/49/1072512349.db2.gz HWHMFVPELQCYJA-RCCFBDPRSA-N 2 1 399.495 -0.462 20 0 GBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580908716 1072513893 /nfs/dbraw/zinc/51/38/93/1072513893.db2.gz GBAKUVJQTWEYOQ-BBWFWOEESA-N 2 1 384.521 -0.171 20 0 GBADMP COCC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580908716 1072513880 /nfs/dbraw/zinc/51/38/80/1072513880.db2.gz GBAKUVJQTWEYOQ-BBWFWOEESA-N 2 1 384.521 -0.171 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580908716 1072513864 /nfs/dbraw/zinc/51/38/64/1072513864.db2.gz GBAKUVJQTWEYOQ-BBWFWOEESA-N 2 1 384.521 -0.171 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000580908718 1072512814 /nfs/dbraw/zinc/51/28/14/1072512814.db2.gz GBAKUVJQTWEYOQ-BRWVUGGUSA-N 2 1 384.521 -0.171 20 0 GBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580908720 1072513420 /nfs/dbraw/zinc/51/34/20/1072513420.db2.gz GBAKUVJQTWEYOQ-IXDOHACOSA-N 2 1 384.521 -0.171 20 0 GBADMP COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580908720 1072513407 /nfs/dbraw/zinc/51/34/07/1072513407.db2.gz GBAKUVJQTWEYOQ-IXDOHACOSA-N 2 1 384.521 -0.171 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580908720 1072513395 /nfs/dbraw/zinc/51/33/95/1072513395.db2.gz GBAKUVJQTWEYOQ-IXDOHACOSA-N 2 1 384.521 -0.171 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000580908721 1072513069 /nfs/dbraw/zinc/51/30/69/1072513069.db2.gz GBAKUVJQTWEYOQ-YESZJQIVSA-N 2 1 384.521 -0.171 20 0 GBADMP CN1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C[NH3+])C1 ZINC000580941361 1072520323 /nfs/dbraw/zinc/52/03/23/1072520323.db2.gz CVWUJURXHBKEFI-INIZCTEOSA-N 2 1 376.509 -0.727 20 0 GBADMP CN1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C[NH3+])C1 ZINC000580941362 1072520952 /nfs/dbraw/zinc/52/09/52/1072520952.db2.gz CVWUJURXHBKEFI-MRXNPFEDSA-N 2 1 376.509 -0.727 20 0 GBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000581018955 1072531920 /nfs/dbraw/zinc/53/19/20/1072531920.db2.gz WAZQOTSYSRGSBO-QGZVFWFLSA-N 2 1 384.521 -0.358 20 0 GBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581125999 1072539509 /nfs/dbraw/zinc/53/95/09/1072539509.db2.gz VQNFMKXXWMECDJ-IKGGRYGDSA-N 2 1 391.516 -0.506 20 0 GBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581125999 1072539501 /nfs/dbraw/zinc/53/95/01/1072539501.db2.gz VQNFMKXXWMECDJ-IKGGRYGDSA-N 2 1 391.516 -0.506 20 0 GBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581126002 1072539448 /nfs/dbraw/zinc/53/94/48/1072539448.db2.gz VQNFMKXXWMECDJ-ZACQAIPSSA-N 2 1 391.516 -0.506 20 0 GBADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581126002 1072539445 /nfs/dbraw/zinc/53/94/45/1072539445.db2.gz VQNFMKXXWMECDJ-ZACQAIPSSA-N 2 1 391.516 -0.506 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000581129721 1072539637 /nfs/dbraw/zinc/53/96/37/1072539637.db2.gz AYXONISRNFSYKT-DLBZAZTESA-N 2 1 388.516 -0.033 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000581129722 1072539850 /nfs/dbraw/zinc/53/98/50/1072539850.db2.gz AYXONISRNFSYKT-IAGOWNOFSA-N 2 1 388.516 -0.033 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000581129723 1072539112 /nfs/dbraw/zinc/53/91/12/1072539112.db2.gz AYXONISRNFSYKT-IRXDYDNUSA-N 2 1 388.516 -0.033 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000581129724 1072539244 /nfs/dbraw/zinc/53/92/44/1072539244.db2.gz AYXONISRNFSYKT-SJORKVTESA-N 2 1 388.516 -0.033 20 0 GBADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261397 1072556090 /nfs/dbraw/zinc/55/60/90/1072556090.db2.gz KKEWZRQCORJRAC-CVEARBPZSA-N 2 1 379.505 -0.025 20 0 GBADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261401 1072556391 /nfs/dbraw/zinc/55/63/91/1072556391.db2.gz KKEWZRQCORJRAC-HOTGVXAUSA-N 2 1 379.505 -0.025 20 0 GBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261403 1072556216 /nfs/dbraw/zinc/55/62/16/1072556216.db2.gz KKEWZRQCORJRAC-HZPDHXFCSA-N 2 1 379.505 -0.025 20 0 GBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CCN2C1=O ZINC000581261405 1072556005 /nfs/dbraw/zinc/55/60/05/1072556005.db2.gz KKEWZRQCORJRAC-JKSUJKDBSA-N 2 1 379.505 -0.025 20 0 GBADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000581261936 1072556262 /nfs/dbraw/zinc/55/62/62/1072556262.db2.gz PNNWOLZFTJAYAI-UHFFFAOYSA-N 2 1 393.532 -0.139 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000581308264 1072563539 /nfs/dbraw/zinc/56/35/39/1072563539.db2.gz DUFHGPZFOOIKQN-KRWDZBQOSA-N 2 1 393.532 -0.353 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000581308265 1072563380 /nfs/dbraw/zinc/56/33/80/1072563380.db2.gz DUFHGPZFOOIKQN-QGZVFWFLSA-N 2 1 393.532 -0.353 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000581343755 1072568923 /nfs/dbraw/zinc/56/89/23/1072568923.db2.gz WXMDNYJCKMBLKP-APWZRJJASA-N 2 1 376.505 -0.042 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000581343755 1072568913 /nfs/dbraw/zinc/56/89/13/1072568913.db2.gz WXMDNYJCKMBLKP-APWZRJJASA-N 2 1 376.505 -0.042 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000581343756 1072568246 /nfs/dbraw/zinc/56/82/46/1072568246.db2.gz WXMDNYJCKMBLKP-LPHOPBHVSA-N 2 1 376.505 -0.042 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000581343756 1072568239 /nfs/dbraw/zinc/56/82/39/1072568239.db2.gz WXMDNYJCKMBLKP-LPHOPBHVSA-N 2 1 376.505 -0.042 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000581343757 1072568777 /nfs/dbraw/zinc/56/87/77/1072568777.db2.gz WXMDNYJCKMBLKP-QFBILLFUSA-N 2 1 376.505 -0.042 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000581343757 1072568767 /nfs/dbraw/zinc/56/87/67/1072568767.db2.gz WXMDNYJCKMBLKP-QFBILLFUSA-N 2 1 376.505 -0.042 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000581343758 1072568484 /nfs/dbraw/zinc/56/84/84/1072568484.db2.gz WXMDNYJCKMBLKP-VQIMIIECSA-N 2 1 376.505 -0.042 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000581343758 1072568475 /nfs/dbraw/zinc/56/84/75/1072568475.db2.gz WXMDNYJCKMBLKP-VQIMIIECSA-N 2 1 376.505 -0.042 20 0 GBADMP CCC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000581386327 1072573682 /nfs/dbraw/zinc/57/36/82/1072573682.db2.gz PFNXLRQYGQEGPP-KRWDZBQOSA-N 2 1 395.548 -0.072 20 0 GBADMP CCC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000581386328 1072573568 /nfs/dbraw/zinc/57/35/68/1072573568.db2.gz PFNXLRQYGQEGPP-QGZVFWFLSA-N 2 1 395.548 -0.072 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000581440573 1072587316 /nfs/dbraw/zinc/58/73/16/1072587316.db2.gz LMHQOGVDUGCNEB-BZUAXINKSA-N 2 1 379.505 -0.615 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000581440574 1072586808 /nfs/dbraw/zinc/58/68/08/1072586808.db2.gz LMHQOGVDUGCNEB-OAGGEKHMSA-N 2 1 379.505 -0.615 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000581440575 1072587024 /nfs/dbraw/zinc/58/70/24/1072587024.db2.gz LMHQOGVDUGCNEB-OWCLPIDISA-N 2 1 379.505 -0.615 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000581440576 1072586745 /nfs/dbraw/zinc/58/67/45/1072586745.db2.gz LMHQOGVDUGCNEB-PMPSAXMXSA-N 2 1 379.505 -0.615 20 0 GBADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000581445463 1072586607 /nfs/dbraw/zinc/58/66/07/1072586607.db2.gz BQZOHASHKBJJST-INIZCTEOSA-N 2 1 384.521 -0.312 20 0 GBADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000581445464 1072587271 /nfs/dbraw/zinc/58/72/71/1072587271.db2.gz BQZOHASHKBJJST-MRXNPFEDSA-N 2 1 384.521 -0.312 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000581474894 1072592924 /nfs/dbraw/zinc/59/29/24/1072592924.db2.gz SULKPRAFJQJQMJ-BRWVUGGUSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000581474894 1072592918 /nfs/dbraw/zinc/59/29/18/1072592918.db2.gz SULKPRAFJQJQMJ-BRWVUGGUSA-N 2 1 391.516 -0.696 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000581474894 1072592916 /nfs/dbraw/zinc/59/29/16/1072592916.db2.gz SULKPRAFJQJQMJ-BRWVUGGUSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000581474895 1072593330 /nfs/dbraw/zinc/59/33/30/1072593330.db2.gz SULKPRAFJQJQMJ-IKGGRYGDSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000581474895 1072593324 /nfs/dbraw/zinc/59/33/24/1072593324.db2.gz SULKPRAFJQJQMJ-IKGGRYGDSA-N 2 1 391.516 -0.696 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000581474895 1072593318 /nfs/dbraw/zinc/59/33/18/1072593318.db2.gz SULKPRAFJQJQMJ-IKGGRYGDSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000581474896 1072593132 /nfs/dbraw/zinc/59/31/32/1072593132.db2.gz SULKPRAFJQJQMJ-IXDOHACOSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000581474896 1072593127 /nfs/dbraw/zinc/59/31/27/1072593127.db2.gz SULKPRAFJQJQMJ-IXDOHACOSA-N 2 1 391.516 -0.696 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000581474896 1072593117 /nfs/dbraw/zinc/59/31/17/1072593117.db2.gz SULKPRAFJQJQMJ-IXDOHACOSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000581474897 1072592741 /nfs/dbraw/zinc/59/27/41/1072592741.db2.gz SULKPRAFJQJQMJ-ZACQAIPSSA-N 2 1 391.516 -0.696 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000581474897 1072592732 /nfs/dbraw/zinc/59/27/32/1072592732.db2.gz SULKPRAFJQJQMJ-ZACQAIPSSA-N 2 1 391.516 -0.696 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000581474897 1072592729 /nfs/dbraw/zinc/59/27/29/1072592729.db2.gz SULKPRAFJQJQMJ-ZACQAIPSSA-N 2 1 391.516 -0.696 20 0 GBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581538670 1072603359 /nfs/dbraw/zinc/60/33/59/1072603359.db2.gz JHFBWJRSBDFSHL-ARFHVFGLSA-N 2 1 377.489 -0.848 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581538670 1072603354 /nfs/dbraw/zinc/60/33/54/1072603354.db2.gz JHFBWJRSBDFSHL-ARFHVFGLSA-N 2 1 377.489 -0.848 20 0 GBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581538671 1072603633 /nfs/dbraw/zinc/60/36/33/1072603633.db2.gz JHFBWJRSBDFSHL-BZUAXINKSA-N 2 1 377.489 -0.848 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581538671 1072603630 /nfs/dbraw/zinc/60/36/30/1072603630.db2.gz JHFBWJRSBDFSHL-BZUAXINKSA-N 2 1 377.489 -0.848 20 0 GBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581538672 1072603320 /nfs/dbraw/zinc/60/33/20/1072603320.db2.gz JHFBWJRSBDFSHL-OAGGEKHMSA-N 2 1 377.489 -0.848 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000581538672 1072603317 /nfs/dbraw/zinc/60/33/17/1072603317.db2.gz JHFBWJRSBDFSHL-OAGGEKHMSA-N 2 1 377.489 -0.848 20 0 GBADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581538673 1072603732 /nfs/dbraw/zinc/60/37/32/1072603732.db2.gz JHFBWJRSBDFSHL-XHSDSOJGSA-N 2 1 377.489 -0.848 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000581538673 1072603729 /nfs/dbraw/zinc/60/37/29/1072603729.db2.gz JHFBWJRSBDFSHL-XHSDSOJGSA-N 2 1 377.489 -0.848 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000581625224 1072614434 /nfs/dbraw/zinc/61/44/34/1072614434.db2.gz XPOCTOFHLORCCP-INIZCTEOSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000581625224 1072614428 /nfs/dbraw/zinc/61/44/28/1072614428.db2.gz XPOCTOFHLORCCP-INIZCTEOSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000581625225 1072614401 /nfs/dbraw/zinc/61/44/01/1072614401.db2.gz XPOCTOFHLORCCP-MRXNPFEDSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000581625225 1072614395 /nfs/dbraw/zinc/61/43/95/1072614395.db2.gz XPOCTOFHLORCCP-MRXNPFEDSA-N 2 1 393.532 -0.212 20 0 GBADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000581666773 1072624605 /nfs/dbraw/zinc/62/46/05/1072624605.db2.gz ZHPJMCSCSLNHDH-INIZCTEOSA-N 2 1 391.497 -0.517 20 0 GBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000581695536 1072157188 /nfs/dbraw/zinc/15/71/88/1072157188.db2.gz OOFXMBHIHBQVKB-CVEARBPZSA-N 2 1 381.521 -0.402 20 0 GBADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000581695537 1072157210 /nfs/dbraw/zinc/15/72/10/1072157210.db2.gz OOFXMBHIHBQVKB-HZPDHXFCSA-N 2 1 381.521 -0.402 20 0 GBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581720612 1072161163 /nfs/dbraw/zinc/16/11/63/1072161163.db2.gz XWTFHYIXEABLDS-GOSISDBHSA-N 2 1 397.564 -0.315 20 0 GBADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581720613 1072161286 /nfs/dbraw/zinc/16/12/86/1072161286.db2.gz XWTFHYIXEABLDS-SFHVURJKSA-N 2 1 397.564 -0.315 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000581743768 1072166374 /nfs/dbraw/zinc/16/63/74/1072166374.db2.gz LQWWJDXDQMHCSE-INIZCTEOSA-N 2 1 379.505 -0.650 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000581743768 1072166365 /nfs/dbraw/zinc/16/63/65/1072166365.db2.gz LQWWJDXDQMHCSE-INIZCTEOSA-N 2 1 379.505 -0.650 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000581743769 1072165933 /nfs/dbraw/zinc/16/59/33/1072165933.db2.gz LQWWJDXDQMHCSE-MRXNPFEDSA-N 2 1 379.505 -0.650 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000581743769 1072165930 /nfs/dbraw/zinc/16/59/30/1072165930.db2.gz LQWWJDXDQMHCSE-MRXNPFEDSA-N 2 1 379.505 -0.650 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000581891117 1072190334 /nfs/dbraw/zinc/19/03/34/1072190334.db2.gz IELCDQRKQNVXRT-GDBMZVCRSA-N 2 1 381.521 -0.308 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000581891117 1072190331 /nfs/dbraw/zinc/19/03/31/1072190331.db2.gz IELCDQRKQNVXRT-GDBMZVCRSA-N 2 1 381.521 -0.308 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000581891118 1072190634 /nfs/dbraw/zinc/19/06/34/1072190634.db2.gz IELCDQRKQNVXRT-GOEBONIOSA-N 2 1 381.521 -0.308 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000581891118 1072190626 /nfs/dbraw/zinc/19/06/26/1072190626.db2.gz IELCDQRKQNVXRT-GOEBONIOSA-N 2 1 381.521 -0.308 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000581891119 1072190217 /nfs/dbraw/zinc/19/02/17/1072190217.db2.gz IELCDQRKQNVXRT-HOCLYGCPSA-N 2 1 381.521 -0.308 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000581891119 1072190209 /nfs/dbraw/zinc/19/02/09/1072190209.db2.gz IELCDQRKQNVXRT-HOCLYGCPSA-N 2 1 381.521 -0.308 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000581891120 1072190750 /nfs/dbraw/zinc/19/07/50/1072190750.db2.gz IELCDQRKQNVXRT-ZBFHGGJFSA-N 2 1 381.521 -0.308 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000581891120 1072190749 /nfs/dbraw/zinc/19/07/49/1072190749.db2.gz IELCDQRKQNVXRT-ZBFHGGJFSA-N 2 1 381.521 -0.308 20 0 GBADMP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(=O)n(C)c1=O ZINC000582003243 1072250010 /nfs/dbraw/zinc/25/00/10/1072250010.db2.gz BUYXRODNDULXRH-OKILXGFUSA-N 2 1 377.489 -0.101 20 0 GBADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(C)C ZINC000582017045 1072305420 /nfs/dbraw/zinc/30/54/20/1072305420.db2.gz XPQSHQWPZCCMCM-UHFFFAOYSA-N 2 1 383.537 -0.156 20 0 GBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000582077221 1072309885 /nfs/dbraw/zinc/30/98/85/1072309885.db2.gz YPHIDERDUOHBGV-AEFFLSMTSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000582077222 1073286197 /nfs/dbraw/zinc/28/61/97/1073286197.db2.gz YPHIDERDUOHBGV-FUHWJXTLSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000582077223 1072309976 /nfs/dbraw/zinc/30/99/76/1072309976.db2.gz YPHIDERDUOHBGV-SJLPKXTDSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000582077224 1072310334 /nfs/dbraw/zinc/31/03/34/1072310334.db2.gz YPHIDERDUOHBGV-WMZOPIPTSA-N 2 1 377.533 -0.175 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000582129388 1072512795 /nfs/dbraw/zinc/51/27/95/1072512795.db2.gz XLKDDCHZFOGYLJ-MSOLQXFVSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000582129389 1072512500 /nfs/dbraw/zinc/51/25/00/1072512500.db2.gz XLKDDCHZFOGYLJ-QZTJIDSGSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000582129390 1072512730 /nfs/dbraw/zinc/51/27/30/1072512730.db2.gz XLKDDCHZFOGYLJ-ROUUACIJSA-N 2 1 396.532 -0.337 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000582129391 1072512356 /nfs/dbraw/zinc/51/23/56/1072512356.db2.gz XLKDDCHZFOGYLJ-ZWKOTPCHSA-N 2 1 396.532 -0.337 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000582179114 1072322164 /nfs/dbraw/zinc/32/21/64/1072322164.db2.gz KQVJNSZKWISHIV-INIZCTEOSA-N 2 1 379.505 -0.743 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000582179115 1072322100 /nfs/dbraw/zinc/32/21/00/1072322100.db2.gz KQVJNSZKWISHIV-MRXNPFEDSA-N 2 1 379.505 -0.743 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000582193169 1072324358 /nfs/dbraw/zinc/32/43/58/1072324358.db2.gz RXWNVAYUVOJXHS-IRXDYDNUSA-N 2 1 387.484 -0.522 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000582193170 1072324079 /nfs/dbraw/zinc/32/40/79/1072324079.db2.gz RXWNVAYUVOJXHS-SJORKVTESA-N 2 1 387.484 -0.522 20 0 GBADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000582202085 1073319646 /nfs/dbraw/zinc/31/96/46/1073319646.db2.gz TZIRAEDJTHIPOC-UHFFFAOYSA-N 2 1 381.521 -0.399 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])n2)c1C ZINC000582241200 1072328023 /nfs/dbraw/zinc/32/80/23/1072328023.db2.gz GWSKPXJVZIRDNA-NEPJUHHUSA-N 2 1 389.460 0.527 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])n2)c1C ZINC000582241201 1072328354 /nfs/dbraw/zinc/32/83/54/1072328354.db2.gz GWSKPXJVZIRDNA-NWDGAFQWSA-N 2 1 389.460 0.527 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])n2)c1C ZINC000582241202 1072328145 /nfs/dbraw/zinc/32/81/45/1072328145.db2.gz GWSKPXJVZIRDNA-RYUDHWBXSA-N 2 1 389.460 0.527 20 0 GBADMP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])n2)c1C ZINC000582241203 1072327999 /nfs/dbraw/zinc/32/79/99/1072327999.db2.gz GWSKPXJVZIRDNA-VXGBXAGGSA-N 2 1 389.460 0.527 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000582259691 1072328098 /nfs/dbraw/zinc/32/80/98/1072328098.db2.gz ZBNPCOWGRGUWMM-UHFFFAOYSA-N 2 1 381.521 -0.402 20 0 GBADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000582259691 1072328087 /nfs/dbraw/zinc/32/80/87/1072328087.db2.gz ZBNPCOWGRGUWMM-UHFFFAOYSA-N 2 1 381.521 -0.402 20 0 GBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@H](C[NH3+])C3(C1)CCOCC3)c(=O)n2C ZINC000582363159 1072341860 /nfs/dbraw/zinc/34/18/60/1072341860.db2.gz LEAATAHBOWNCNB-AWEZNQCLSA-N 2 1 390.488 -0.489 20 0 GBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H](C[NH3+])C3(C1)CCOCC3)c(=O)n2C ZINC000582363160 1072341749 /nfs/dbraw/zinc/34/17/49/1072341749.db2.gz LEAATAHBOWNCNB-CQSZACIVSA-N 2 1 390.488 -0.489 20 0 GBADMP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000582476510 1072359844 /nfs/dbraw/zinc/35/98/44/1072359844.db2.gz FBLKICLNJSGWKZ-KRWDZBQOSA-N 2 1 387.484 -0.685 20 0 GBADMP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000582476511 1072360017 /nfs/dbraw/zinc/36/00/17/1072360017.db2.gz FBLKICLNJSGWKZ-QGZVFWFLSA-N 2 1 387.484 -0.685 20 0 GBADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000582484367 1072360568 /nfs/dbraw/zinc/36/05/68/1072360568.db2.gz KICBCLXKMOGAAV-INIZCTEOSA-N 2 1 389.504 -0.637 20 0 GBADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000582484368 1072360969 /nfs/dbraw/zinc/36/09/69/1072360969.db2.gz KICBCLXKMOGAAV-MRXNPFEDSA-N 2 1 389.504 -0.637 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000582503794 1072362667 /nfs/dbraw/zinc/36/26/67/1072362667.db2.gz ULYCCGOOBXZOGQ-UHFFFAOYSA-N 2 1 396.532 -0.337 20 0 GBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCO1 ZINC000582507940 1072363053 /nfs/dbraw/zinc/36/30/53/1072363053.db2.gz FIZOXNBTLUBYDS-KRWDZBQOSA-N 2 1 398.548 -0.091 20 0 GBADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCCO1 ZINC000582507940 1072363046 /nfs/dbraw/zinc/36/30/46/1072363046.db2.gz FIZOXNBTLUBYDS-KRWDZBQOSA-N 2 1 398.548 -0.091 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000582507940 1072363033 /nfs/dbraw/zinc/36/30/33/1072363033.db2.gz FIZOXNBTLUBYDS-KRWDZBQOSA-N 2 1 398.548 -0.091 20 0 GBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCO1 ZINC000582507941 1072363718 /nfs/dbraw/zinc/36/37/18/1072363718.db2.gz FIZOXNBTLUBYDS-QGZVFWFLSA-N 2 1 398.548 -0.091 20 0 GBADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCCO1 ZINC000582507941 1072363710 /nfs/dbraw/zinc/36/37/10/1072363710.db2.gz FIZOXNBTLUBYDS-QGZVFWFLSA-N 2 1 398.548 -0.091 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000582507941 1072363700 /nfs/dbraw/zinc/36/37/00/1072363700.db2.gz FIZOXNBTLUBYDS-QGZVFWFLSA-N 2 1 398.548 -0.091 20 0 GBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582606791 1072372965 /nfs/dbraw/zinc/37/29/65/1072372965.db2.gz WWESMHLZYSZURC-INIZCTEOSA-N 2 1 380.489 -0.458 20 0 GBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582606792 1072373022 /nfs/dbraw/zinc/37/30/22/1072373022.db2.gz WWESMHLZYSZURC-MRXNPFEDSA-N 2 1 380.489 -0.458 20 0 GBADMP CCC(=O)N1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000582627074 1072377210 /nfs/dbraw/zinc/37/72/10/1072377210.db2.gz LUCOQHUHTGBLIY-HNNXBMFYSA-N 2 1 381.521 -0.402 20 0 GBADMP CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000582627077 1072376845 /nfs/dbraw/zinc/37/68/45/1072376845.db2.gz LUCOQHUHTGBLIY-OAHLLOKOSA-N 2 1 381.521 -0.402 20 0 GBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737510 1072394722 /nfs/dbraw/zinc/39/47/22/1072394722.db2.gz FSIOFHFHAUKKAZ-FGTMMUONSA-N 2 1 399.495 -0.605 20 0 GBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737511 1072394908 /nfs/dbraw/zinc/39/49/08/1072394908.db2.gz FSIOFHFHAUKKAZ-KZNAEPCWSA-N 2 1 399.495 -0.605 20 0 GBADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737512 1072395307 /nfs/dbraw/zinc/39/53/07/1072395307.db2.gz FSIOFHFHAUKKAZ-OKZBNKHCSA-N 2 1 399.495 -0.605 20 0 GBADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737513 1072394947 /nfs/dbraw/zinc/39/49/47/1072394947.db2.gz FSIOFHFHAUKKAZ-RCCFBDPRSA-N 2 1 399.495 -0.605 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582782747 1072399798 /nfs/dbraw/zinc/39/97/98/1072399798.db2.gz AVGNKFFXWOSBRF-GDBMZVCRSA-N 2 1 377.493 -0.297 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582782748 1072399154 /nfs/dbraw/zinc/39/91/54/1072399154.db2.gz AVGNKFFXWOSBRF-GOEBONIOSA-N 2 1 377.493 -0.297 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582782749 1072399726 /nfs/dbraw/zinc/39/97/26/1072399726.db2.gz AVGNKFFXWOSBRF-HOCLYGCPSA-N 2 1 377.493 -0.297 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582782750 1072399290 /nfs/dbraw/zinc/39/92/90/1072399290.db2.gz AVGNKFFXWOSBRF-ZBFHGGJFSA-N 2 1 377.493 -0.297 20 0 GBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000582808480 1072402071 /nfs/dbraw/zinc/40/20/71/1072402071.db2.gz OCVVWMPSHUZYHP-DLBZAZTESA-N 2 1 382.505 -0.681 20 0 GBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000582808481 1072402410 /nfs/dbraw/zinc/40/24/10/1072402410.db2.gz OCVVWMPSHUZYHP-IAGOWNOFSA-N 2 1 382.505 -0.681 20 0 GBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000582808482 1072402377 /nfs/dbraw/zinc/40/23/77/1072402377.db2.gz OCVVWMPSHUZYHP-IRXDYDNUSA-N 2 1 382.505 -0.681 20 0 GBADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000582808483 1072402155 /nfs/dbraw/zinc/40/21/55/1072402155.db2.gz OCVVWMPSHUZYHP-SJORKVTESA-N 2 1 382.505 -0.681 20 0 GBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000582835790 1072406790 /nfs/dbraw/zinc/40/67/90/1072406790.db2.gz GURTUGKXNAUWGG-BBWFWOEESA-N 2 1 383.537 -0.659 20 0 GBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H](C)C1 ZINC000582835791 1072406846 /nfs/dbraw/zinc/40/68/46/1072406846.db2.gz GURTUGKXNAUWGG-IKGGRYGDSA-N 2 1 383.537 -0.659 20 0 GBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000582835792 1072406429 /nfs/dbraw/zinc/40/64/29/1072406429.db2.gz GURTUGKXNAUWGG-ULQDDVLXSA-N 2 1 383.537 -0.659 20 0 GBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000582835793 1072406795 /nfs/dbraw/zinc/40/67/95/1072406795.db2.gz GURTUGKXNAUWGG-ZACQAIPSSA-N 2 1 383.537 -0.659 20 0 GBADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000582904332 1072412897 /nfs/dbraw/zinc/41/28/97/1072412897.db2.gz MVHSDYMYWYVQHT-GOSISDBHSA-N 2 1 378.498 -0.637 20 0 GBADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000582904333 1072413439 /nfs/dbraw/zinc/41/34/39/1072413439.db2.gz MVHSDYMYWYVQHT-SFHVURJKSA-N 2 1 378.498 -0.637 20 0 GBADMP CC[NH+](CC)CCSCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000582909960 530329113 /nfs/dbraw/zinc/32/91/13/530329113.db2.gz BXEYCKSBMDUXDS-UHFFFAOYSA-N 2 1 378.564 -0.493 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000582925972 1072416564 /nfs/dbraw/zinc/41/65/64/1072416564.db2.gz ATOQVFIRHPRHMD-DLBZAZTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000582925972 1072416560 /nfs/dbraw/zinc/41/65/60/1072416560.db2.gz ATOQVFIRHPRHMD-DLBZAZTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000582925972 1072416555 /nfs/dbraw/zinc/41/65/55/1072416555.db2.gz ATOQVFIRHPRHMD-DLBZAZTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000582925972 1072416551 /nfs/dbraw/zinc/41/65/51/1072416551.db2.gz ATOQVFIRHPRHMD-DLBZAZTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000582925974 1072416647 /nfs/dbraw/zinc/41/66/47/1072416647.db2.gz ATOQVFIRHPRHMD-IAGOWNOFSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000582925974 1072416640 /nfs/dbraw/zinc/41/66/40/1072416640.db2.gz ATOQVFIRHPRHMD-IAGOWNOFSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000582925974 1072416638 /nfs/dbraw/zinc/41/66/38/1072416638.db2.gz ATOQVFIRHPRHMD-IAGOWNOFSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000582925974 1072416634 /nfs/dbraw/zinc/41/66/34/1072416634.db2.gz ATOQVFIRHPRHMD-IAGOWNOFSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000582925975 1072416831 /nfs/dbraw/zinc/41/68/31/1072416831.db2.gz ATOQVFIRHPRHMD-IRXDYDNUSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000582925975 1072416828 /nfs/dbraw/zinc/41/68/28/1072416828.db2.gz ATOQVFIRHPRHMD-IRXDYDNUSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000582925975 1072416826 /nfs/dbraw/zinc/41/68/26/1072416826.db2.gz ATOQVFIRHPRHMD-IRXDYDNUSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000582925975 1072416820 /nfs/dbraw/zinc/41/68/20/1072416820.db2.gz ATOQVFIRHPRHMD-IRXDYDNUSA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000582925976 1072416505 /nfs/dbraw/zinc/41/65/05/1072416505.db2.gz ATOQVFIRHPRHMD-SJORKVTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000582925976 1072416492 /nfs/dbraw/zinc/41/64/92/1072416492.db2.gz ATOQVFIRHPRHMD-SJORKVTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000582925976 1072416489 /nfs/dbraw/zinc/41/64/89/1072416489.db2.gz ATOQVFIRHPRHMD-SJORKVTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000582925976 1072416485 /nfs/dbraw/zinc/41/64/85/1072416485.db2.gz ATOQVFIRHPRHMD-SJORKVTESA-N 2 1 398.548 -0.093 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000582926019 1072416781 /nfs/dbraw/zinc/41/67/81/1072416781.db2.gz CGEICZHUUUEJTC-GOSISDBHSA-N 2 1 397.564 -0.301 20 0 GBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000582926019 1072416776 /nfs/dbraw/zinc/41/67/76/1072416776.db2.gz CGEICZHUUUEJTC-GOSISDBHSA-N 2 1 397.564 -0.301 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000582926019 1072416771 /nfs/dbraw/zinc/41/67/71/1072416771.db2.gz CGEICZHUUUEJTC-GOSISDBHSA-N 2 1 397.564 -0.301 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000582926020 1072416616 /nfs/dbraw/zinc/41/66/16/1072416616.db2.gz CGEICZHUUUEJTC-SFHVURJKSA-N 2 1 397.564 -0.301 20 0 GBADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CCCO1 ZINC000582926020 1072416611 /nfs/dbraw/zinc/41/66/11/1072416611.db2.gz CGEICZHUUUEJTC-SFHVURJKSA-N 2 1 397.564 -0.301 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000582926020 1072416607 /nfs/dbraw/zinc/41/66/07/1072416607.db2.gz CGEICZHUUUEJTC-SFHVURJKSA-N 2 1 397.564 -0.301 20 0 GBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582944635 1072419393 /nfs/dbraw/zinc/41/93/93/1072419393.db2.gz QCTFUDUKALVWFR-DOTOQJQBSA-N 2 1 394.516 -0.022 20 0 GBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582944636 1072418640 /nfs/dbraw/zinc/41/86/40/1072418640.db2.gz QCTFUDUKALVWFR-NVXWUHKLSA-N 2 1 394.516 -0.022 20 0 GBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582944637 1072418535 /nfs/dbraw/zinc/41/85/35/1072418535.db2.gz QCTFUDUKALVWFR-RDJZCZTQSA-N 2 1 394.516 -0.022 20 0 GBADMP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582944638 1072418685 /nfs/dbraw/zinc/41/86/85/1072418685.db2.gz QCTFUDUKALVWFR-WBVHZDCISA-N 2 1 394.516 -0.022 20 0 GBADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583095413 1072432474 /nfs/dbraw/zinc/43/24/74/1072432474.db2.gz JMCPTSFPQKITES-AWEZNQCLSA-N 2 1 389.456 -0.501 20 0 GBADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000583189957 1072440206 /nfs/dbraw/zinc/44/02/06/1072440206.db2.gz NRSGHWVNZASBRG-CVEARBPZSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000583189957 1072440199 /nfs/dbraw/zinc/44/01/99/1072440199.db2.gz NRSGHWVNZASBRG-CVEARBPZSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000583189957 1072440192 /nfs/dbraw/zinc/44/01/92/1072440192.db2.gz NRSGHWVNZASBRG-CVEARBPZSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000583189958 1072440487 /nfs/dbraw/zinc/44/04/87/1072440487.db2.gz NRSGHWVNZASBRG-HOTGVXAUSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000583189958 1072440484 /nfs/dbraw/zinc/44/04/84/1072440484.db2.gz NRSGHWVNZASBRG-HOTGVXAUSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000583189958 1072440480 /nfs/dbraw/zinc/44/04/80/1072440480.db2.gz NRSGHWVNZASBRG-HOTGVXAUSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000583189959 1072440421 /nfs/dbraw/zinc/44/04/21/1072440421.db2.gz NRSGHWVNZASBRG-HZPDHXFCSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000583189959 1072440417 /nfs/dbraw/zinc/44/04/17/1072440417.db2.gz NRSGHWVNZASBRG-HZPDHXFCSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000583189959 1072440411 /nfs/dbraw/zinc/44/04/11/1072440411.db2.gz NRSGHWVNZASBRG-HZPDHXFCSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000583189960 1072440361 /nfs/dbraw/zinc/44/03/61/1072440361.db2.gz NRSGHWVNZASBRG-JKSUJKDBSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@H]1CC[NH+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000583189960 1072440355 /nfs/dbraw/zinc/44/03/55/1072440355.db2.gz NRSGHWVNZASBRG-JKSUJKDBSA-N 2 1 379.505 -0.839 20 0 GBADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000583189960 1072440352 /nfs/dbraw/zinc/44/03/52/1072440352.db2.gz NRSGHWVNZASBRG-JKSUJKDBSA-N 2 1 379.505 -0.839 20 0 GBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000583189984 1072440249 /nfs/dbraw/zinc/44/02/49/1072440249.db2.gz TUFSKDXMSSJMBB-KRWDZBQOSA-N 2 1 393.532 -0.306 20 0 GBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000583189984 1072440246 /nfs/dbraw/zinc/44/02/46/1072440246.db2.gz TUFSKDXMSSJMBB-KRWDZBQOSA-N 2 1 393.532 -0.306 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC000583189984 1072440240 /nfs/dbraw/zinc/44/02/40/1072440240.db2.gz TUFSKDXMSSJMBB-KRWDZBQOSA-N 2 1 393.532 -0.306 20 0 GBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000583189985 1072440158 /nfs/dbraw/zinc/44/01/58/1072440158.db2.gz TUFSKDXMSSJMBB-QGZVFWFLSA-N 2 1 393.532 -0.306 20 0 GBADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000583189985 1072440154 /nfs/dbraw/zinc/44/01/54/1072440154.db2.gz TUFSKDXMSSJMBB-QGZVFWFLSA-N 2 1 393.532 -0.306 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC000583189985 1072440148 /nfs/dbraw/zinc/44/01/48/1072440148.db2.gz TUFSKDXMSSJMBB-QGZVFWFLSA-N 2 1 393.532 -0.306 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000583269597 1072448453 /nfs/dbraw/zinc/44/84/53/1072448453.db2.gz SUILORRTMRWEQM-INIZCTEOSA-N 2 1 382.505 -0.606 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000583269600 1072448587 /nfs/dbraw/zinc/44/85/87/1072448587.db2.gz SUILORRTMRWEQM-MRXNPFEDSA-N 2 1 382.505 -0.606 20 0 GBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000583280299 1072450148 /nfs/dbraw/zinc/45/01/48/1072450148.db2.gz PFZYUOJKSXIXJE-INIZCTEOSA-N 2 1 381.521 -0.890 20 0 GBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000583280300 1072450165 /nfs/dbraw/zinc/45/01/65/1072450165.db2.gz PFZYUOJKSXIXJE-MRXNPFEDSA-N 2 1 381.521 -0.890 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000583316413 1072452203 /nfs/dbraw/zinc/45/22/03/1072452203.db2.gz ATGHCELCJWIRDK-CVEARBPZSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000583316413 1072452199 /nfs/dbraw/zinc/45/21/99/1072452199.db2.gz ATGHCELCJWIRDK-CVEARBPZSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000583316413 1072452196 /nfs/dbraw/zinc/45/21/96/1072452196.db2.gz ATGHCELCJWIRDK-CVEARBPZSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000583316414 1072452404 /nfs/dbraw/zinc/45/24/04/1072452404.db2.gz ATGHCELCJWIRDK-HOTGVXAUSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000583316414 1072452402 /nfs/dbraw/zinc/45/24/02/1072452402.db2.gz ATGHCELCJWIRDK-HOTGVXAUSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000583316414 1072452400 /nfs/dbraw/zinc/45/24/00/1072452400.db2.gz ATGHCELCJWIRDK-HOTGVXAUSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000583316415 1072452264 /nfs/dbraw/zinc/45/22/64/1072452264.db2.gz ATGHCELCJWIRDK-HZPDHXFCSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000583316415 1072452260 /nfs/dbraw/zinc/45/22/60/1072452260.db2.gz ATGHCELCJWIRDK-HZPDHXFCSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000583316415 1072452259 /nfs/dbraw/zinc/45/22/59/1072452259.db2.gz ATGHCELCJWIRDK-HZPDHXFCSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000583316416 1072452320 /nfs/dbraw/zinc/45/23/20/1072452320.db2.gz ATGHCELCJWIRDK-JKSUJKDBSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000583316416 1072452316 /nfs/dbraw/zinc/45/23/16/1072452316.db2.gz ATGHCELCJWIRDK-JKSUJKDBSA-N 2 1 379.505 -0.791 20 0 GBADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000583316416 1072452314 /nfs/dbraw/zinc/45/23/14/1072452314.db2.gz ATGHCELCJWIRDK-JKSUJKDBSA-N 2 1 379.505 -0.791 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCO1 ZINC000583328582 1072453097 /nfs/dbraw/zinc/45/30/97/1072453097.db2.gz RQIOHDPNDCYPOS-KRWDZBQOSA-N 2 1 384.521 -0.168 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCO1 ZINC000583328583 1072453132 /nfs/dbraw/zinc/45/31/32/1072453132.db2.gz RQIOHDPNDCYPOS-QGZVFWFLSA-N 2 1 384.521 -0.168 20 0 GBADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000583328953 1072453145 /nfs/dbraw/zinc/45/31/45/1072453145.db2.gz OUBGJWYJGGUTBF-UHFFFAOYSA-N 2 1 384.521 -0.480 20 0 GBADMP O=C(CNC(=O)N1CCN(CCOc2ccccc2)CC1)N1CCNCC1 ZINC000583371300 1072456475 /nfs/dbraw/zinc/45/64/75/1072456475.db2.gz SGMWVGHGSXBNCU-UHFFFAOYSA-N 2 1 375.473 -0.176 20 0 GBADMP CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000583371673 1072456297 /nfs/dbraw/zinc/45/62/97/1072456297.db2.gz VENMVOMVAOYHFI-GOSISDBHSA-N 2 1 389.500 -0.764 20 0 GBADMP CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000583371674 1072456278 /nfs/dbraw/zinc/45/62/78/1072456278.db2.gz VENMVOMVAOYHFI-SFHVURJKSA-N 2 1 389.500 -0.764 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000583395594 1072458886 /nfs/dbraw/zinc/45/88/86/1072458886.db2.gz DARCWAZSMJMKBP-UHFFFAOYSA-N 2 1 393.532 -0.401 20 0 GBADMP CCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000583505846 1072468177 /nfs/dbraw/zinc/46/81/77/1072468177.db2.gz XMUBIEOQQKAKEC-UHFFFAOYSA-N 2 1 381.521 -0.306 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000583615687 1072481777 /nfs/dbraw/zinc/48/17/77/1072481777.db2.gz DMWRRVBZJWALTL-BEFAXECRSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000583615688 1072482175 /nfs/dbraw/zinc/48/21/75/1072482175.db2.gz DMWRRVBZJWALTL-DNVCBOLYSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000583615689 1072481725 /nfs/dbraw/zinc/48/17/25/1072481725.db2.gz DMWRRVBZJWALTL-HNAYVOBHSA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000583615690 1072481927 /nfs/dbraw/zinc/48/19/27/1072481927.db2.gz DMWRRVBZJWALTL-KXBFYZLASA-N 2 1 379.505 -0.743 20 0 GBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000583642681 1072486537 /nfs/dbraw/zinc/48/65/37/1072486537.db2.gz QFDNKSCRCFTMIK-NCOADZHNSA-N 2 1 385.468 -0.682 20 0 GBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H]1c1ccccc1 ZINC000583642682 1072486677 /nfs/dbraw/zinc/48/66/77/1072486677.db2.gz QFDNKSCRCFTMIK-VVLHAWIVSA-N 2 1 385.468 -0.682 20 0 GBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000583642683 1072486644 /nfs/dbraw/zinc/48/66/44/1072486644.db2.gz QFDNKSCRCFTMIK-WCXIOVBPSA-N 2 1 385.468 -0.682 20 0 GBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000583642684 1072486921 /nfs/dbraw/zinc/48/69/21/1072486921.db2.gz QFDNKSCRCFTMIK-YVSFHVDLSA-N 2 1 385.468 -0.682 20 0 GBADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000583714593 1072498181 /nfs/dbraw/zinc/49/81/81/1072498181.db2.gz XEAIUIMGCGFWQT-KRWDZBQOSA-N 2 1 396.532 -0.073 20 0 GBADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000583714593 1072498176 /nfs/dbraw/zinc/49/81/76/1072498176.db2.gz XEAIUIMGCGFWQT-KRWDZBQOSA-N 2 1 396.532 -0.073 20 0 GBADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000583714594 1072498237 /nfs/dbraw/zinc/49/82/37/1072498237.db2.gz XEAIUIMGCGFWQT-QGZVFWFLSA-N 2 1 396.532 -0.073 20 0 GBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCO1 ZINC000583714594 1072498232 /nfs/dbraw/zinc/49/82/32/1072498232.db2.gz XEAIUIMGCGFWQT-QGZVFWFLSA-N 2 1 396.532 -0.073 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000583758852 1072500944 /nfs/dbraw/zinc/50/09/44/1072500944.db2.gz ACIGWWGIDRPYEU-UHFFFAOYSA-N 2 1 379.505 -0.743 20 0 GBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000583759034 1072501199 /nfs/dbraw/zinc/50/11/99/1072501199.db2.gz KFKYEIMGVUQMEE-KRWDZBQOSA-N 2 1 397.564 -0.397 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000583759035 1072500912 /nfs/dbraw/zinc/50/09/12/1072500912.db2.gz KFKYEIMGVUQMEE-QGZVFWFLSA-N 2 1 397.564 -0.397 20 0 GBADMP Cc1ccc([C@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000583802653 1072504947 /nfs/dbraw/zinc/50/49/47/1072504947.db2.gz WWPKGFSJYTUWCU-HNNXBMFYSA-N 2 1 391.472 -0.611 20 0 GBADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000583802654 1072505174 /nfs/dbraw/zinc/50/51/74/1072505174.db2.gz WWPKGFSJYTUWCU-OAHLLOKOSA-N 2 1 391.472 -0.611 20 0 GBADMP CC1CC[NH+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583825995 1072507471 /nfs/dbraw/zinc/50/74/71/1072507471.db2.gz PIUTXAILBRRDOF-UHFFFAOYSA-N 2 1 381.521 -0.495 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000583951053 1072517383 /nfs/dbraw/zinc/51/73/83/1072517383.db2.gz KWVXDKNGJKDZDG-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000583951053 1072517376 /nfs/dbraw/zinc/51/73/76/1072517376.db2.gz KWVXDKNGJKDZDG-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000583951053 1072517366 /nfs/dbraw/zinc/51/73/66/1072517366.db2.gz KWVXDKNGJKDZDG-UHFFFAOYSA-N 2 1 395.548 -0.153 20 0 GBADMP Cc1cc(N2CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000583955171 1072518094 /nfs/dbraw/zinc/51/80/94/1072518094.db2.gz HZLXVULZFAGISV-UHFFFAOYSA-N 2 1 392.504 -0.127 20 0 GBADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000583983657 1072520502 /nfs/dbraw/zinc/52/05/02/1072520502.db2.gz UIJNMCVQVMSYBZ-UHFFFAOYSA-N 2 1 387.550 -0.122 20 0 GBADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000584012118 1072522964 /nfs/dbraw/zinc/52/29/64/1072522964.db2.gz ZJJKQLIBQLJDBW-UHFFFAOYSA-N 2 1 393.532 -0.187 20 0 GBADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584113658 1072531488 /nfs/dbraw/zinc/53/14/88/1072531488.db2.gz AYOSKXKCWWFTNE-CABCVRRESA-N 2 1 377.493 -0.653 20 0 GBADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584113659 1072531005 /nfs/dbraw/zinc/53/10/05/1072531005.db2.gz AYOSKXKCWWFTNE-GJZGRUSLSA-N 2 1 377.493 -0.653 20 0 GBADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584113660 1072531742 /nfs/dbraw/zinc/53/17/42/1072531742.db2.gz AYOSKXKCWWFTNE-HUUCEWRRSA-N 2 1 377.493 -0.653 20 0 GBADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584113661 1072531839 /nfs/dbraw/zinc/53/18/39/1072531839.db2.gz AYOSKXKCWWFTNE-LSDHHAIUSA-N 2 1 377.493 -0.653 20 0 GBADMP CN(C(=O)[C@@H]([NH3+])CC(F)F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000584114093 1072530024 /nfs/dbraw/zinc/53/00/24/1072530024.db2.gz BWFAGLXBTWPEMV-AWEZNQCLSA-N 2 1 375.464 -0.334 20 0 GBADMP CN(C(=O)[C@H]([NH3+])CC(F)F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000584114094 1072530197 /nfs/dbraw/zinc/53/01/97/1072530197.db2.gz BWFAGLXBTWPEMV-CQSZACIVSA-N 2 1 375.464 -0.334 20 0 GBADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000584125085 1072532272 /nfs/dbraw/zinc/53/22/72/1072532272.db2.gz CCFVLCXNSWQXLW-KRWDZBQOSA-N 2 1 375.473 -0.389 20 0 GBADMP CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000584125255 1072531376 /nfs/dbraw/zinc/53/13/76/1072531376.db2.gz ULQACLBEXUBNHN-UHFFFAOYSA-N 2 1 375.473 -0.502 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000584237772 1072540284 /nfs/dbraw/zinc/54/02/84/1072540284.db2.gz NOHVIHIXBSKBQG-UHFFFAOYSA-N 2 1 381.521 -0.401 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000584237772 1072540268 /nfs/dbraw/zinc/54/02/68/1072540268.db2.gz NOHVIHIXBSKBQG-UHFFFAOYSA-N 2 1 381.521 -0.401 20 0 GBADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000584340685 1072546561 /nfs/dbraw/zinc/54/65/61/1072546561.db2.gz ABCHCODGDWYCJF-UHFFFAOYSA-N 2 1 388.516 -0.118 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396860 1072551293 /nfs/dbraw/zinc/55/12/93/1072551293.db2.gz XKGQCHXKJODDJN-DLBZAZTESA-N 2 1 389.500 -0.776 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396861 1072551837 /nfs/dbraw/zinc/55/18/37/1072551837.db2.gz XKGQCHXKJODDJN-IAGOWNOFSA-N 2 1 389.500 -0.776 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396862 1072551261 /nfs/dbraw/zinc/55/12/61/1072551261.db2.gz XKGQCHXKJODDJN-IRXDYDNUSA-N 2 1 389.500 -0.776 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396863 1072551339 /nfs/dbraw/zinc/55/13/39/1072551339.db2.gz XKGQCHXKJODDJN-SJORKVTESA-N 2 1 389.500 -0.776 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000584400029 1072552720 /nfs/dbraw/zinc/55/27/20/1072552720.db2.gz SFBMNSSZJXMOAA-DLBZAZTESA-N 2 1 375.521 -0.205 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000584400030 1072552398 /nfs/dbraw/zinc/55/23/98/1072552398.db2.gz SFBMNSSZJXMOAA-IAGOWNOFSA-N 2 1 375.521 -0.205 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000584400031 1072552513 /nfs/dbraw/zinc/55/25/13/1072552513.db2.gz SFBMNSSZJXMOAA-IRXDYDNUSA-N 2 1 375.521 -0.205 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000584400032 1072553055 /nfs/dbraw/zinc/55/30/55/1072553055.db2.gz SFBMNSSZJXMOAA-SJORKVTESA-N 2 1 375.521 -0.205 20 0 GBADMP C[C@H]1CC2(CN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000584405625 1072553976 /nfs/dbraw/zinc/55/39/76/1072553976.db2.gz RPDZYDHRRORDKY-HNNXBMFYSA-N 2 1 393.532 -0.354 20 0 GBADMP C[C@@H]1CC2(CN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000584405626 1072553874 /nfs/dbraw/zinc/55/38/74/1072553874.db2.gz RPDZYDHRRORDKY-OAHLLOKOSA-N 2 1 393.532 -0.354 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000584483916 1072824300 /nfs/dbraw/zinc/82/43/00/1072824300.db2.gz IXRMGWBLZFFNJH-GOSISDBHSA-N 2 1 399.561 -0.791 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000584483917 1072824519 /nfs/dbraw/zinc/82/45/19/1072824519.db2.gz IXRMGWBLZFFNJH-SFHVURJKSA-N 2 1 399.561 -0.791 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000584642311 1073296781 /nfs/dbraw/zinc/29/67/81/1073296781.db2.gz ZJRNBFAPMUMDDC-INIZCTEOSA-N 2 1 384.521 -0.170 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000584642318 1073296628 /nfs/dbraw/zinc/29/66/28/1073296628.db2.gz ZJRNBFAPMUMDDC-MRXNPFEDSA-N 2 1 384.521 -0.170 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000584706474 1073302101 /nfs/dbraw/zinc/30/21/01/1073302101.db2.gz RRJDOMPNSDLOAT-BRWVUGGUSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000584706474 1073302097 /nfs/dbraw/zinc/30/20/97/1073302097.db2.gz RRJDOMPNSDLOAT-BRWVUGGUSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000584706474 1073302093 /nfs/dbraw/zinc/30/20/93/1073302093.db2.gz RRJDOMPNSDLOAT-BRWVUGGUSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000584706475 1073301823 /nfs/dbraw/zinc/30/18/23/1073301823.db2.gz RRJDOMPNSDLOAT-IKGGRYGDSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000584706475 1073301819 /nfs/dbraw/zinc/30/18/19/1073301819.db2.gz RRJDOMPNSDLOAT-IKGGRYGDSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000584706475 1073301816 /nfs/dbraw/zinc/30/18/16/1073301816.db2.gz RRJDOMPNSDLOAT-IKGGRYGDSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000584706476 1073302031 /nfs/dbraw/zinc/30/20/31/1073302031.db2.gz RRJDOMPNSDLOAT-IXDOHACOSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000584706476 1073302026 /nfs/dbraw/zinc/30/20/26/1073302026.db2.gz RRJDOMPNSDLOAT-IXDOHACOSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000584706476 1073302022 /nfs/dbraw/zinc/30/20/22/1073302022.db2.gz RRJDOMPNSDLOAT-IXDOHACOSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000584706477 1073301733 /nfs/dbraw/zinc/30/17/33/1073301733.db2.gz RRJDOMPNSDLOAT-ZACQAIPSSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000584706477 1073301732 /nfs/dbraw/zinc/30/17/32/1073301732.db2.gz RRJDOMPNSDLOAT-ZACQAIPSSA-N 2 1 391.516 -0.554 20 0 GBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000584706477 1073301727 /nfs/dbraw/zinc/30/17/27/1073301727.db2.gz RRJDOMPNSDLOAT-ZACQAIPSSA-N 2 1 391.516 -0.554 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000584714335 1073302183 /nfs/dbraw/zinc/30/21/83/1073302183.db2.gz JJVHTSIAJJAXAB-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000584714336 1073301878 /nfs/dbraw/zinc/30/18/78/1073301878.db2.gz JJVHTSIAJJAXAB-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000584714723 1073302166 /nfs/dbraw/zinc/30/21/66/1073302166.db2.gz DBQCWSNUSHZLPR-BBWFWOEESA-N 2 1 376.501 -0.090 20 0 GBADMP O=C(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000584714723 1073302163 /nfs/dbraw/zinc/30/21/63/1073302163.db2.gz DBQCWSNUSHZLPR-BBWFWOEESA-N 2 1 376.501 -0.090 20 0 GBADMP O=C(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000584714726 1073301848 /nfs/dbraw/zinc/30/18/48/1073301848.db2.gz DBQCWSNUSHZLPR-ZACQAIPSSA-N 2 1 376.501 -0.090 20 0 GBADMP O=C(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000584714726 1073301844 /nfs/dbraw/zinc/30/18/44/1073301844.db2.gz DBQCWSNUSHZLPR-ZACQAIPSSA-N 2 1 376.501 -0.090 20 0 GBADMP CN1CCN(C[C@@H](O)C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000584715608 1073301642 /nfs/dbraw/zinc/30/16/42/1073301642.db2.gz XHBNXWJLCNNFMQ-IBGZPJMESA-N 2 1 391.564 -0.423 20 0 GBADMP CN1CCN(C[C@H](O)C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000584715609 1073302004 /nfs/dbraw/zinc/30/20/04/1073302004.db2.gz XHBNXWJLCNNFMQ-LJQANCHMSA-N 2 1 391.564 -0.423 20 0 GBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000584842772 1073312760 /nfs/dbraw/zinc/31/27/60/1073312760.db2.gz GSWHQWWGNGRQOO-DOTOQJQBSA-N 2 1 399.503 -0.099 20 0 GBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000584842776 1073312630 /nfs/dbraw/zinc/31/26/30/1073312630.db2.gz GSWHQWWGNGRQOO-NVXWUHKLSA-N 2 1 399.503 -0.099 20 0 GBADMP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000584842777 1073312685 /nfs/dbraw/zinc/31/26/85/1073312685.db2.gz GSWHQWWGNGRQOO-RDJZCZTQSA-N 2 1 399.503 -0.099 20 0 GBADMP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000584842778 1073312228 /nfs/dbraw/zinc/31/22/28/1073312228.db2.gz GSWHQWWGNGRQOO-WBVHZDCISA-N 2 1 399.503 -0.099 20 0 GBADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@@H+](C)CCOC)C2)CC1 ZINC000585727724 1073616327 /nfs/dbraw/zinc/61/63/27/1073616327.db2.gz LZDKNDHIWFGJKQ-KRWDZBQOSA-N 2 1 383.537 -0.691 20 0 GBADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@@H+](C)CCOC)C2)CC1 ZINC000585727725 1073616282 /nfs/dbraw/zinc/61/62/82/1073616282.db2.gz LZDKNDHIWFGJKQ-QGZVFWFLSA-N 2 1 383.537 -0.691 20 0 GBADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000588094798 1073014746 /nfs/dbraw/zinc/01/47/46/1073014746.db2.gz VLJIQKYGSZPNBB-MSOLQXFVSA-N 2 1 395.548 -0.550 20 0 GBADMP CC[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000588146001 1073015390 /nfs/dbraw/zinc/01/53/90/1073015390.db2.gz JGMUCGDSZACYIK-MSOLQXFVSA-N 2 1 395.548 -0.550 20 0 GBADMP CC[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000588146001 1073015378 /nfs/dbraw/zinc/01/53/78/1073015378.db2.gz JGMUCGDSZACYIK-MSOLQXFVSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595278487 1073448817 /nfs/dbraw/zinc/44/88/17/1073448817.db2.gz UJAYZUPNYBWKGG-PVAVHDDUSA-N 2 1 387.484 -0.607 20 0 GBADMP COC(=O)CCN1CCC[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1=O ZINC000595411585 1073452105 /nfs/dbraw/zinc/45/21/05/1073452105.db2.gz XRDITFZGRPYANN-INIZCTEOSA-N 2 1 383.489 -0.300 20 0 GBADMP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1=O ZINC000595411588 1073452201 /nfs/dbraw/zinc/45/22/01/1073452201.db2.gz XRDITFZGRPYANN-MRXNPFEDSA-N 2 1 383.489 -0.300 20 0 GBADMP COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601408786 530147172 /nfs/dbraw/zinc/14/71/72/530147172.db2.gz FHSMCAUSVDROJF-UHFFFAOYSA-N 2 1 376.523 -0.867 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000604667578 1073608489 /nfs/dbraw/zinc/60/84/89/1073608489.db2.gz DMROARFXPFKTLG-QRVBRYPASA-N 2 1 395.548 -0.367 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000605885849 1073495785 /nfs/dbraw/zinc/49/57/85/1073495785.db2.gz UWRCSNZXTLNORW-HNNXBMFYSA-N 2 1 382.509 -0.822 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000605885849 1073495783 /nfs/dbraw/zinc/49/57/83/1073495783.db2.gz UWRCSNZXTLNORW-HNNXBMFYSA-N 2 1 382.509 -0.822 20 0 GBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000611676327 1072380356 /nfs/dbraw/zinc/38/03/56/1072380356.db2.gz RMYCJQLVCWQLPX-CRAIPNDOSA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000611676327 1072380350 /nfs/dbraw/zinc/38/03/50/1072380350.db2.gz RMYCJQLVCWQLPX-CRAIPNDOSA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000611676328 1072380108 /nfs/dbraw/zinc/38/01/08/1072380108.db2.gz RMYCJQLVCWQLPX-MAUKXSAKSA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000611676328 1072380104 /nfs/dbraw/zinc/38/01/04/1072380104.db2.gz RMYCJQLVCWQLPX-MAUKXSAKSA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611676329 1072379986 /nfs/dbraw/zinc/37/99/86/1072379986.db2.gz RMYCJQLVCWQLPX-QAPCUYQASA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000611676329 1072379975 /nfs/dbraw/zinc/37/99/75/1072379975.db2.gz RMYCJQLVCWQLPX-QAPCUYQASA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611676330 1072379654 /nfs/dbraw/zinc/37/96/54/1072379654.db2.gz RMYCJQLVCWQLPX-YJBOKZPZSA-N 2 1 396.532 -0.171 20 0 GBADMP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000611676330 1072379648 /nfs/dbraw/zinc/37/96/48/1072379648.db2.gz RMYCJQLVCWQLPX-YJBOKZPZSA-N 2 1 396.532 -0.171 20 0 GBADMP CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000611955636 1072604067 /nfs/dbraw/zinc/60/40/67/1072604067.db2.gz HZOJKRWKZPGBGN-INIZCTEOSA-N 2 1 396.532 -0.027 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000611955636 1072604059 /nfs/dbraw/zinc/60/40/59/1072604059.db2.gz HZOJKRWKZPGBGN-INIZCTEOSA-N 2 1 396.532 -0.027 20 0 GBADMP CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000611955638 1072603642 /nfs/dbraw/zinc/60/36/42/1072603642.db2.gz HZOJKRWKZPGBGN-MRXNPFEDSA-N 2 1 396.532 -0.027 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000611955638 1072603638 /nfs/dbraw/zinc/60/36/38/1072603638.db2.gz HZOJKRWKZPGBGN-MRXNPFEDSA-N 2 1 396.532 -0.027 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000611956005 1072603711 /nfs/dbraw/zinc/60/37/11/1072603711.db2.gz MMWLYDVCCPJWPE-INIZCTEOSA-N 2 1 382.505 -0.416 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000611956006 1072603773 /nfs/dbraw/zinc/60/37/73/1072603773.db2.gz MMWLYDVCCPJWPE-MRXNPFEDSA-N 2 1 382.505 -0.416 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000611959448 1072605761 /nfs/dbraw/zinc/60/57/61/1072605761.db2.gz GVUAQCFLLDCEBA-KRWDZBQOSA-N 2 1 395.548 -0.500 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000611959449 1072605897 /nfs/dbraw/zinc/60/58/97/1072605897.db2.gz GVUAQCFLLDCEBA-QGZVFWFLSA-N 2 1 395.548 -0.500 20 0 GBADMP CCN(C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000611960303 1072605716 /nfs/dbraw/zinc/60/57/16/1072605716.db2.gz UBIRNYJIGMXRSP-KRWDZBQOSA-N 2 1 395.548 -0.548 20 0 GBADMP CCN(C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000611960304 1072605738 /nfs/dbraw/zinc/60/57/38/1072605738.db2.gz UBIRNYJIGMXRSP-QGZVFWFLSA-N 2 1 395.548 -0.548 20 0 GBADMP O=C(C[NH+]1CCC[C@H](CO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000612095463 1072660686 /nfs/dbraw/zinc/66/06/86/1072660686.db2.gz UCCKTVXDJAVECI-HDICACEKSA-N 2 1 396.532 -0.934 20 0 GBADMP O=C(C[NH+]1CCC[C@H](CO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000612095463 1072660677 /nfs/dbraw/zinc/66/06/77/1072660677.db2.gz UCCKTVXDJAVECI-HDICACEKSA-N 2 1 396.532 -0.934 20 0 GBADMP O=C(C[NH+]1CCC[C@@H](CO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000612095463 1072660672 /nfs/dbraw/zinc/66/06/72/1072660672.db2.gz UCCKTVXDJAVECI-HDICACEKSA-N 2 1 396.532 -0.934 20 0 GBADMP O=C(C[NH+]1CCC[C@@H](CO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000612095464 1072660588 /nfs/dbraw/zinc/66/05/88/1072660588.db2.gz UCCKTVXDJAVECI-QZTJIDSGSA-N 2 1 396.532 -0.934 20 0 GBADMP O=C(C[NH+]1CCC[C@H](CO)C1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000612095465 1072660908 /nfs/dbraw/zinc/66/09/08/1072660908.db2.gz UCCKTVXDJAVECI-ROUUACIJSA-N 2 1 396.532 -0.934 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000612446001 1072819181 /nfs/dbraw/zinc/81/91/81/1072819181.db2.gz FZMPGNQGJGZAIS-INIZCTEOSA-N 2 1 393.532 -0.258 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000612446018 1072819640 /nfs/dbraw/zinc/81/96/40/1072819640.db2.gz FZMPGNQGJGZAIS-MRXNPFEDSA-N 2 1 393.532 -0.258 20 0 GBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000612547116 1072835568 /nfs/dbraw/zinc/83/55/68/1072835568.db2.gz ZUPLKSFJLLMVNL-CVEARBPZSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000612547116 1072835553 /nfs/dbraw/zinc/83/55/53/1072835553.db2.gz ZUPLKSFJLLMVNL-CVEARBPZSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000612547116 1072835541 /nfs/dbraw/zinc/83/55/41/1072835541.db2.gz ZUPLKSFJLLMVNL-CVEARBPZSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000612547117 1072835071 /nfs/dbraw/zinc/83/50/71/1072835071.db2.gz ZUPLKSFJLLMVNL-HOTGVXAUSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000612547117 1072835049 /nfs/dbraw/zinc/83/50/49/1072835049.db2.gz ZUPLKSFJLLMVNL-HOTGVXAUSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000612547117 1072835034 /nfs/dbraw/zinc/83/50/34/1072835034.db2.gz ZUPLKSFJLLMVNL-HOTGVXAUSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000612547118 1072834717 /nfs/dbraw/zinc/83/47/17/1072834717.db2.gz ZUPLKSFJLLMVNL-HZPDHXFCSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000612547118 1072834704 /nfs/dbraw/zinc/83/47/04/1072834704.db2.gz ZUPLKSFJLLMVNL-HZPDHXFCSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000612547118 1072834692 /nfs/dbraw/zinc/83/46/92/1072834692.db2.gz ZUPLKSFJLLMVNL-HZPDHXFCSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000612547119 1072835143 /nfs/dbraw/zinc/83/51/43/1072835143.db2.gz ZUPLKSFJLLMVNL-JKSUJKDBSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000612547119 1072835136 /nfs/dbraw/zinc/83/51/36/1072835136.db2.gz ZUPLKSFJLLMVNL-JKSUJKDBSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000612547119 1072835130 /nfs/dbraw/zinc/83/51/30/1072835130.db2.gz ZUPLKSFJLLMVNL-JKSUJKDBSA-N 2 1 379.505 -0.648 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000612549062 1072833107 /nfs/dbraw/zinc/83/31/07/1072833107.db2.gz VPBZAVVOBGFLPK-INIZCTEOSA-N 2 1 381.521 -0.401 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000612549063 1072833343 /nfs/dbraw/zinc/83/33/43/1072833343.db2.gz VPBZAVVOBGFLPK-MRXNPFEDSA-N 2 1 381.521 -0.401 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000612550346 1072832981 /nfs/dbraw/zinc/83/29/81/1072832981.db2.gz FSWORBBPIHOMGR-INIZCTEOSA-N 2 1 379.505 -0.647 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000612550347 1072833549 /nfs/dbraw/zinc/83/35/49/1072833549.db2.gz FSWORBBPIHOMGR-MRXNPFEDSA-N 2 1 379.505 -0.647 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000612550942 1072833842 /nfs/dbraw/zinc/83/38/42/1072833842.db2.gz KFJCEJJWVKXQBD-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000612550942 1072833829 /nfs/dbraw/zinc/83/38/29/1072833829.db2.gz KFJCEJJWVKXQBD-KRWDZBQOSA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000612550943 1072833185 /nfs/dbraw/zinc/83/31/85/1072833185.db2.gz KFJCEJJWVKXQBD-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000612550943 1072833168 /nfs/dbraw/zinc/83/31/68/1072833168.db2.gz KFJCEJJWVKXQBD-QGZVFWFLSA-N 2 1 393.532 -0.401 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612557213 1072838688 /nfs/dbraw/zinc/83/86/88/1072838688.db2.gz OUODMFKSIRZJRE-YLFCFFPRSA-N 2 1 392.500 -0.977 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000612557213 1072838678 /nfs/dbraw/zinc/83/86/78/1072838678.db2.gz OUODMFKSIRZJRE-YLFCFFPRSA-N 2 1 392.500 -0.977 20 0 GBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000612562012 1072837944 /nfs/dbraw/zinc/83/79/44/1072837944.db2.gz JHOSATDGHNEJGG-IAGOWNOFSA-N 2 1 396.532 -0.217 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612592328 1072842703 /nfs/dbraw/zinc/84/27/03/1072842703.db2.gz OGNAHIKZZBHLCG-KRWDZBQOSA-N 2 1 396.532 -0.075 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612592329 1072843376 /nfs/dbraw/zinc/84/33/76/1072843376.db2.gz OGNAHIKZZBHLCG-QGZVFWFLSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000612593658 1072841998 /nfs/dbraw/zinc/84/19/98/1072841998.db2.gz AHHRIRFWCKRHRK-DOTOQJQBSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000612593658 1072841989 /nfs/dbraw/zinc/84/19/89/1072841989.db2.gz AHHRIRFWCKRHRK-DOTOQJQBSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000612593659 1072842058 /nfs/dbraw/zinc/84/20/58/1072842058.db2.gz AHHRIRFWCKRHRK-NVXWUHKLSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000612593659 1072842041 /nfs/dbraw/zinc/84/20/41/1072842041.db2.gz AHHRIRFWCKRHRK-NVXWUHKLSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000612593660 1072842111 /nfs/dbraw/zinc/84/21/11/1072842111.db2.gz AHHRIRFWCKRHRK-RDJZCZTQSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000612593660 1072842098 /nfs/dbraw/zinc/84/20/98/1072842098.db2.gz AHHRIRFWCKRHRK-RDJZCZTQSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000612593661 1072842179 /nfs/dbraw/zinc/84/21/79/1072842179.db2.gz AHHRIRFWCKRHRK-WBVHZDCISA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000612593661 1072842164 /nfs/dbraw/zinc/84/21/64/1072842164.db2.gz AHHRIRFWCKRHRK-WBVHZDCISA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594686 1072843159 /nfs/dbraw/zinc/84/31/59/1072843159.db2.gz PGGWBVLKTBOSKK-DOTOQJQBSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594686 1072843150 /nfs/dbraw/zinc/84/31/50/1072843150.db2.gz PGGWBVLKTBOSKK-DOTOQJQBSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594687 1072843405 /nfs/dbraw/zinc/84/34/05/1072843405.db2.gz PGGWBVLKTBOSKK-NVXWUHKLSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594687 1072843395 /nfs/dbraw/zinc/84/33/95/1072843395.db2.gz PGGWBVLKTBOSKK-NVXWUHKLSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594688 1072843609 /nfs/dbraw/zinc/84/36/09/1072843609.db2.gz PGGWBVLKTBOSKK-RDJZCZTQSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594688 1072843595 /nfs/dbraw/zinc/84/35/95/1072843595.db2.gz PGGWBVLKTBOSKK-RDJZCZTQSA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594689 1072843492 /nfs/dbraw/zinc/84/34/92/1072843492.db2.gz PGGWBVLKTBOSKK-WBVHZDCISA-N 2 1 396.532 -0.341 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594689 1072843483 /nfs/dbraw/zinc/84/34/83/1072843483.db2.gz PGGWBVLKTBOSKK-WBVHZDCISA-N 2 1 396.532 -0.341 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612594842 1072843345 /nfs/dbraw/zinc/84/33/45/1072843345.db2.gz BVMFXWYWVMYFBY-AEFFLSMTSA-N 2 1 394.516 -0.463 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612594843 1072842548 /nfs/dbraw/zinc/84/25/48/1072842548.db2.gz BVMFXWYWVMYFBY-FUHWJXTLSA-N 2 1 394.516 -0.463 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612594844 1072843426 /nfs/dbraw/zinc/84/34/26/1072843426.db2.gz BVMFXWYWVMYFBY-SJLPKXTDSA-N 2 1 394.516 -0.463 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612594845 1072842949 /nfs/dbraw/zinc/84/29/49/1072842949.db2.gz BVMFXWYWVMYFBY-WMZOPIPTSA-N 2 1 394.516 -0.463 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612596718 1072842965 /nfs/dbraw/zinc/84/29/65/1072842965.db2.gz SGJCTLKCPCUFJF-INIZCTEOSA-N 2 1 382.505 -0.729 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612596719 1072842895 /nfs/dbraw/zinc/84/28/95/1072842895.db2.gz SGJCTLKCPCUFJF-MRXNPFEDSA-N 2 1 382.505 -0.729 20 0 GBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000612600155 1072844130 /nfs/dbraw/zinc/84/41/30/1072844130.db2.gz FRAFPVKYBIXHKQ-JZXOWHBKSA-N 2 1 396.532 -0.029 20 0 GBADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000612600157 1072844499 /nfs/dbraw/zinc/84/44/99/1072844499.db2.gz FRAFPVKYBIXHKQ-SOLBZPMBSA-N 2 1 396.532 -0.029 20 0 GBADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000612721819 1072861045 /nfs/dbraw/zinc/86/10/45/1072861045.db2.gz FNIBHZJZPWENFF-GOSISDBHSA-N 2 1 375.517 -0.061 20 0 GBADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000612721820 1072860903 /nfs/dbraw/zinc/86/09/03/1072860903.db2.gz FNIBHZJZPWENFF-SFHVURJKSA-N 2 1 375.517 -0.061 20 0 GBADMP CC1[C@H](C(=O)NCC[NH+]2CCCOCC2)[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000613797749 1073446927 /nfs/dbraw/zinc/44/69/27/1073446927.db2.gz PGKQOXMNYRUMKL-ROUUACIJSA-N 2 1 396.532 -0.455 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000614506025 1072618290 /nfs/dbraw/zinc/61/82/90/1072618290.db2.gz DILYORPXMSXGAQ-KSZLIROESA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000614506025 1072618284 /nfs/dbraw/zinc/61/82/84/1072618284.db2.gz DILYORPXMSXGAQ-KSZLIROESA-N 2 1 377.533 -0.175 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506025 1072618281 /nfs/dbraw/zinc/61/82/81/1072618281.db2.gz DILYORPXMSXGAQ-KSZLIROESA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000614506026 1072617686 /nfs/dbraw/zinc/61/76/86/1072617686.db2.gz DILYORPXMSXGAQ-KURKYZTESA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000614506026 1072617683 /nfs/dbraw/zinc/61/76/83/1072617683.db2.gz DILYORPXMSXGAQ-KURKYZTESA-N 2 1 377.533 -0.175 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506026 1072617680 /nfs/dbraw/zinc/61/76/80/1072617680.db2.gz DILYORPXMSXGAQ-KURKYZTESA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000614506027 1072617899 /nfs/dbraw/zinc/61/78/99/1072617899.db2.gz DILYORPXMSXGAQ-KZNAEPCWSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000614506027 1072617890 /nfs/dbraw/zinc/61/78/90/1072617890.db2.gz DILYORPXMSXGAQ-KZNAEPCWSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506027 1072617882 /nfs/dbraw/zinc/61/78/82/1072617882.db2.gz DILYORPXMSXGAQ-KZNAEPCWSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000614506028 1072618021 /nfs/dbraw/zinc/61/80/21/1072618021.db2.gz DILYORPXMSXGAQ-RCCFBDPRSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1=O ZINC000614506028 1072618015 /nfs/dbraw/zinc/61/80/15/1072618015.db2.gz DILYORPXMSXGAQ-RCCFBDPRSA-N 2 1 377.533 -0.175 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506028 1072618010 /nfs/dbraw/zinc/61/80/10/1072618010.db2.gz DILYORPXMSXGAQ-RCCFBDPRSA-N 2 1 377.533 -0.175 20 0 GBADMP CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617507684 530283558 /nfs/dbraw/zinc/28/35/58/530283558.db2.gz FTWUBVULBRFDLS-AWEZNQCLSA-N 2 1 377.555 -0.449 20 0 GBADMP CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617507684 530283556 /nfs/dbraw/zinc/28/35/56/530283556.db2.gz FTWUBVULBRFDLS-AWEZNQCLSA-N 2 1 377.555 -0.449 20 0 GBADMP O[C@H]1CC[NH+](CCNc2nc3cccnc3nc2NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000624775001 1072192139 /nfs/dbraw/zinc/19/21/39/1072192139.db2.gz VJOIAIYTKKFUTE-GJZGRUSLSA-N 2 1 387.488 -0.018 20 0 GBADMP O[C@H]1CC[NH+](CCNc2nc3cccnc3nc2NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000624775001 1072192129 /nfs/dbraw/zinc/19/21/29/1072192129.db2.gz VJOIAIYTKKFUTE-GJZGRUSLSA-N 2 1 387.488 -0.018 20 0 GBADMP O[C@H]1CC[NH+](CCNc2nc3ncccc3nc2NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000624775001 1072192120 /nfs/dbraw/zinc/19/21/20/1072192120.db2.gz VJOIAIYTKKFUTE-GJZGRUSLSA-N 2 1 387.488 -0.018 20 0 GBADMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626043430 1072373197 /nfs/dbraw/zinc/37/31/97/1072373197.db2.gz QGLYPEUUKVDOAP-BALXVJCKSA-N 2 1 396.532 -0.937 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000631868749 530140060 /nfs/dbraw/zinc/14/00/60/530140060.db2.gz OJAAZADDNLDDRG-DLBZAZTESA-N 2 1 376.567 -0.005 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000631868749 530140056 /nfs/dbraw/zinc/14/00/56/530140056.db2.gz OJAAZADDNLDDRG-DLBZAZTESA-N 2 1 376.567 -0.005 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000631868750 530140659 /nfs/dbraw/zinc/14/06/59/530140659.db2.gz OJAAZADDNLDDRG-IAGOWNOFSA-N 2 1 376.567 -0.005 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000631868750 530140658 /nfs/dbraw/zinc/14/06/58/530140658.db2.gz OJAAZADDNLDDRG-IAGOWNOFSA-N 2 1 376.567 -0.005 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000631868751 530140476 /nfs/dbraw/zinc/14/04/76/530140476.db2.gz OJAAZADDNLDDRG-IRXDYDNUSA-N 2 1 376.567 -0.005 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000631868751 530140472 /nfs/dbraw/zinc/14/04/72/530140472.db2.gz OJAAZADDNLDDRG-IRXDYDNUSA-N 2 1 376.567 -0.005 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000631868752 530140110 /nfs/dbraw/zinc/14/01/10/530140110.db2.gz OJAAZADDNLDDRG-SJORKVTESA-N 2 1 376.567 -0.005 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000631868752 530140108 /nfs/dbraw/zinc/14/01/08/530140108.db2.gz OJAAZADDNLDDRG-SJORKVTESA-N 2 1 376.567 -0.005 20 0 GBADMP C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631911346 530140267 /nfs/dbraw/zinc/14/02/67/530140267.db2.gz CMRGHHKZJVLXAI-INIZCTEOSA-N 2 1 376.567 -0.269 20 0 GBADMP C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631911347 530140238 /nfs/dbraw/zinc/14/02/38/530140238.db2.gz CMRGHHKZJVLXAI-MRXNPFEDSA-N 2 1 376.567 -0.269 20 0 GBADMP C[NH+]1CCN([C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000631915944 530140444 /nfs/dbraw/zinc/14/04/44/530140444.db2.gz QUDCAUOCZMSSNC-CABCVRRESA-N 2 1 388.559 -0.056 20 0 GBADMP C[NH+]1CCN([C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000631915945 530140627 /nfs/dbraw/zinc/14/06/27/530140627.db2.gz QUDCAUOCZMSSNC-GJZGRUSLSA-N 2 1 388.559 -0.056 20 0 GBADMP C[NH+]1CCN([C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000631915946 530140594 /nfs/dbraw/zinc/14/05/94/530140594.db2.gz QUDCAUOCZMSSNC-HUUCEWRRSA-N 2 1 388.559 -0.056 20 0 GBADMP C[NH+]1CCN([C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000631915947 530140536 /nfs/dbraw/zinc/14/05/36/530140536.db2.gz QUDCAUOCZMSSNC-LSDHHAIUSA-N 2 1 388.559 -0.056 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917756 530140499 /nfs/dbraw/zinc/14/04/99/530140499.db2.gz UTFPQIZIYMPLQU-HNNXBMFYSA-N 2 1 375.539 -0.553 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917756 530140496 /nfs/dbraw/zinc/14/04/96/530140496.db2.gz UTFPQIZIYMPLQU-HNNXBMFYSA-N 2 1 375.539 -0.553 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917757 530140692 /nfs/dbraw/zinc/14/06/92/530140692.db2.gz UTFPQIZIYMPLQU-OAHLLOKOSA-N 2 1 375.539 -0.553 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917757 530140691 /nfs/dbraw/zinc/14/06/91/530140691.db2.gz UTFPQIZIYMPLQU-OAHLLOKOSA-N 2 1 375.539 -0.553 20 0 GBADMP C[NH+]1CCN(CCCS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000632009837 530141324 /nfs/dbraw/zinc/14/13/24/530141324.db2.gz HAVGDMOCRGSDMA-KRWDZBQOSA-N 2 1 376.567 -0.220 20 0 GBADMP C[NH+]1CCN(CCCS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000632009838 530141471 /nfs/dbraw/zinc/14/14/71/530141471.db2.gz HAVGDMOCRGSDMA-QGZVFWFLSA-N 2 1 376.567 -0.220 20 0 GBADMP C[N@@H+](CCCO)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632013770 530141418 /nfs/dbraw/zinc/14/14/18/530141418.db2.gz SKYFBCWBJSZWQZ-UHFFFAOYSA-N 2 1 376.567 -0.268 20 0 GBADMP C[NH+]1CCN(CCCS(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000632304432 530144002 /nfs/dbraw/zinc/14/40/02/530144002.db2.gz SVYSPLRXTVUSKW-UHFFFAOYSA-N 2 1 375.583 -0.431 20 0 GBADMP COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)CC2([NH+](C)C)CC2)CC1=O ZINC000632726387 530147549 /nfs/dbraw/zinc/14/75/49/530147549.db2.gz JGELEXPGLBPPEA-AWEZNQCLSA-N 2 1 376.523 -0.821 20 0 GBADMP COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)CC2([NH+](C)C)CC2)CC1=O ZINC000632726387 530147547 /nfs/dbraw/zinc/14/75/47/530147547.db2.gz JGELEXPGLBPPEA-AWEZNQCLSA-N 2 1 376.523 -0.821 20 0 GBADMP COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)CC2([NH+](C)C)CC2)CC1=O ZINC000632726388 530147633 /nfs/dbraw/zinc/14/76/33/530147633.db2.gz JGELEXPGLBPPEA-CQSZACIVSA-N 2 1 376.523 -0.821 20 0 GBADMP COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)CC2([NH+](C)C)CC2)CC1=O ZINC000632726388 530147631 /nfs/dbraw/zinc/14/76/31/530147631.db2.gz JGELEXPGLBPPEA-CQSZACIVSA-N 2 1 376.523 -0.821 20 0 GBADMP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000636317026 1072933319 /nfs/dbraw/zinc/93/33/19/1072933319.db2.gz HJRXMGZYXWANHF-UHFFFAOYSA-N 2 1 388.516 -0.174 20 0 GBADMP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000636443800 1073001592 /nfs/dbraw/zinc/00/15/92/1073001592.db2.gz DTQZMUPSLYMAHX-UHFFFAOYSA-N 2 1 382.505 -0.462 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636535373 1073319540 /nfs/dbraw/zinc/31/95/40/1073319540.db2.gz BFGPKYYIHDSARG-QGZVFWFLSA-N 2 1 393.532 -0.210 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000636535373 1073319527 /nfs/dbraw/zinc/31/95/27/1073319527.db2.gz BFGPKYYIHDSARG-QGZVFWFLSA-N 2 1 393.532 -0.210 20 0 GBADMP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000636535840 1073319359 /nfs/dbraw/zinc/31/93/59/1073319359.db2.gz OXYRQHLRAPIDCM-UHFFFAOYSA-N 2 1 381.521 -0.401 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636536030 1073319412 /nfs/dbraw/zinc/31/94/12/1073319412.db2.gz VAQPFUIRWGQPJT-INIZCTEOSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636536030 1073319403 /nfs/dbraw/zinc/31/94/03/1073319403.db2.gz VAQPFUIRWGQPJT-INIZCTEOSA-N 2 1 379.505 -0.600 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000636553693 1073343145 /nfs/dbraw/zinc/34/31/45/1073343145.db2.gz DIIPCMKKWJUDDY-UHFFFAOYSA-N 2 1 393.532 -0.210 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636554125 1073343840 /nfs/dbraw/zinc/34/38/40/1073343840.db2.gz NJIOZHBISBNOMV-INIZCTEOSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636554125 1073343832 /nfs/dbraw/zinc/34/38/32/1073343832.db2.gz NJIOZHBISBNOMV-INIZCTEOSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636554126 1073344025 /nfs/dbraw/zinc/34/40/25/1073344025.db2.gz NJIOZHBISBNOMV-MRXNPFEDSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636554126 1073344016 /nfs/dbraw/zinc/34/40/16/1073344016.db2.gz NJIOZHBISBNOMV-MRXNPFEDSA-N 2 1 379.505 -0.554 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636681875 1073547938 /nfs/dbraw/zinc/54/79/38/1073547938.db2.gz YQQKLONGQHPVJR-SFHVURJKSA-N 2 1 376.505 -0.041 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000636681875 1073547926 /nfs/dbraw/zinc/54/79/26/1073547926.db2.gz YQQKLONGQHPVJR-SFHVURJKSA-N 2 1 376.505 -0.041 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636681875 1073547918 /nfs/dbraw/zinc/54/79/18/1073547918.db2.gz YQQKLONGQHPVJR-SFHVURJKSA-N 3 1 376.505 -0.041 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636690268 1073550949 /nfs/dbraw/zinc/55/09/49/1073550949.db2.gz MYGVBEVUPMMFOQ-KRWDZBQOSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636690268 1073550941 /nfs/dbraw/zinc/55/09/41/1073550941.db2.gz MYGVBEVUPMMFOQ-KRWDZBQOSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636690269 1073550803 /nfs/dbraw/zinc/55/08/03/1073550803.db2.gz MYGVBEVUPMMFOQ-QGZVFWFLSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636690269 1073550797 /nfs/dbraw/zinc/55/07/97/1073550797.db2.gz MYGVBEVUPMMFOQ-QGZVFWFLSA-N 2 1 393.532 -0.212 20 0 GBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636712323 1073558219 /nfs/dbraw/zinc/55/82/19/1073558219.db2.gz GURCTCMSDANGHI-INIZCTEOSA-N 2 1 381.521 -0.938 20 0 GBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636712324 1073558593 /nfs/dbraw/zinc/55/85/93/1073558593.db2.gz GURCTCMSDANGHI-MRXNPFEDSA-N 2 1 381.521 -0.938 20 0 GBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000636712767 1073558642 /nfs/dbraw/zinc/55/86/42/1073558642.db2.gz LHPFDIYEEBXHMD-KRWDZBQOSA-N 2 1 377.489 -0.156 20 0 GBADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000636712768 1073558161 /nfs/dbraw/zinc/55/81/61/1073558161.db2.gz LHPFDIYEEBXHMD-QGZVFWFLSA-N 2 1 377.489 -0.156 20 0 GBADMP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636731223 1073562551 /nfs/dbraw/zinc/56/25/51/1073562551.db2.gz XGQXVQREFKZNMI-KRWDZBQOSA-N 2 1 391.520 -0.255 20 0 GBADMP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636731227 1073563591 /nfs/dbraw/zinc/56/35/91/1073563591.db2.gz XGQXVQREFKZNMI-QGZVFWFLSA-N 2 1 391.520 -0.255 20 0 GBADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636761376 1073569082 /nfs/dbraw/zinc/56/90/82/1073569082.db2.gz BNFKMCHTYUGXSD-UHFFFAOYSA-N 2 1 384.521 -0.216 20 0 GBADMP CN1CCC([NH+]2CC[C@H](NC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575750 /nfs/dbraw/zinc/57/57/50/1073575750.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 2 1 380.537 -0.206 20 0 GBADMP CN1CCC([NH+]2CC[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575740 /nfs/dbraw/zinc/57/57/40/1073575740.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 2 1 380.537 -0.206 20 0 GBADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575731 /nfs/dbraw/zinc/57/57/31/1073575731.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 2 1 380.537 -0.206 20 0 GBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575653 /nfs/dbraw/zinc/57/56/53/1073575653.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 2 1 380.537 -0.206 20 0 GBADMP CN1CCC([NH+]2CC[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575642 /nfs/dbraw/zinc/57/56/42/1073575642.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 2 1 380.537 -0.206 20 0 GBADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575636 /nfs/dbraw/zinc/57/56/36/1073575636.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 2 1 380.537 -0.206 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000636876318 1073584781 /nfs/dbraw/zinc/58/47/81/1073584781.db2.gz BXEYUFPGTXSXRU-DLBZAZTESA-N 2 1 396.532 -0.075 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000636876318 1073584770 /nfs/dbraw/zinc/58/47/70/1073584770.db2.gz BXEYUFPGTXSXRU-DLBZAZTESA-N 2 1 396.532 -0.075 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000636876319 1073585651 /nfs/dbraw/zinc/58/56/51/1073585651.db2.gz BXEYUFPGTXSXRU-IAGOWNOFSA-N 2 1 396.532 -0.075 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000636876319 1073585643 /nfs/dbraw/zinc/58/56/43/1073585643.db2.gz BXEYUFPGTXSXRU-IAGOWNOFSA-N 2 1 396.532 -0.075 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000636876320 1073585529 /nfs/dbraw/zinc/58/55/29/1073585529.db2.gz BXEYUFPGTXSXRU-IRXDYDNUSA-N 2 1 396.532 -0.075 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000636876320 1073585517 /nfs/dbraw/zinc/58/55/17/1073585517.db2.gz BXEYUFPGTXSXRU-IRXDYDNUSA-N 2 1 396.532 -0.075 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000636876321 1073585753 /nfs/dbraw/zinc/58/57/53/1073585753.db2.gz BXEYUFPGTXSXRU-SJORKVTESA-N 2 1 396.532 -0.075 20 0 GBADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000636876321 1073585742 /nfs/dbraw/zinc/58/57/42/1073585742.db2.gz BXEYUFPGTXSXRU-SJORKVTESA-N 2 1 396.532 -0.075 20 0 GBADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253258 1073651745 /nfs/dbraw/zinc/65/17/45/1073651745.db2.gz GFHHRBLYFFJMIN-CEXWTWQISA-N 2 1 386.496 -0.037 20 0 GBADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253258 1073651743 /nfs/dbraw/zinc/65/17/43/1073651743.db2.gz GFHHRBLYFFJMIN-CEXWTWQISA-N 2 1 386.496 -0.037 20 0 GBADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253258 1073651739 /nfs/dbraw/zinc/65/17/39/1073651739.db2.gz GFHHRBLYFFJMIN-CEXWTWQISA-N 2 1 386.496 -0.037 20 0 GBADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253259 1073651664 /nfs/dbraw/zinc/65/16/64/1073651664.db2.gz GFHHRBLYFFJMIN-GBESFXJTSA-N 2 1 386.496 -0.037 20 0 GBADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253259 1073651662 /nfs/dbraw/zinc/65/16/62/1073651662.db2.gz GFHHRBLYFFJMIN-GBESFXJTSA-N 2 1 386.496 -0.037 20 0 GBADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253259 1073651658 /nfs/dbraw/zinc/65/16/58/1073651658.db2.gz GFHHRBLYFFJMIN-GBESFXJTSA-N 2 1 386.496 -0.037 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637262595 530197920 /nfs/dbraw/zinc/19/79/20/530197920.db2.gz AWRUBMFLNWHWBU-ZDUSSCGKSA-N 2 1 378.543 -0.952 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637262595 530197918 /nfs/dbraw/zinc/19/79/18/530197918.db2.gz AWRUBMFLNWHWBU-ZDUSSCGKSA-N 2 1 378.543 -0.952 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000637263472 1073652885 /nfs/dbraw/zinc/65/28/85/1073652885.db2.gz GPOCNIIANPREFZ-GJZGRUSLSA-N 2 1 393.554 -0.782 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000637263472 1073652883 /nfs/dbraw/zinc/65/28/83/1073652883.db2.gz GPOCNIIANPREFZ-GJZGRUSLSA-N 2 1 393.554 -0.782 20 0 GBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662942 /nfs/dbraw/zinc/66/29/42/1073662942.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 2 1 382.553 -0.006 20 0 GBADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662939 /nfs/dbraw/zinc/66/29/39/1073662939.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 2 1 382.553 -0.006 20 0 GBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662937 /nfs/dbraw/zinc/66/29/37/1073662937.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 2 1 382.553 -0.006 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671791 530232240 /nfs/dbraw/zinc/23/22/40/530232240.db2.gz TUOLVIRGKBXCBV-HNNXBMFYSA-N 2 1 377.555 -0.017 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671793 530232122 /nfs/dbraw/zinc/23/21/22/530232122.db2.gz TUOLVIRGKBXCBV-OAHLLOKOSA-N 2 1 377.555 -0.017 20 0 GBADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638117507 1072704138 /nfs/dbraw/zinc/70/41/38/1072704138.db2.gz MIAPHHCCZVTCFX-UXHICEINSA-N 2 1 389.544 -0.032 20 0 GBADMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000638117507 1072704132 /nfs/dbraw/zinc/70/41/32/1072704132.db2.gz MIAPHHCCZVTCFX-UXHICEINSA-N 2 1 389.544 -0.032 20 0 GBADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000638117507 1072704126 /nfs/dbraw/zinc/70/41/26/1072704126.db2.gz MIAPHHCCZVTCFX-UXHICEINSA-N 2 1 389.544 -0.032 20 0 GBADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000638272875 1072750978 /nfs/dbraw/zinc/75/09/78/1072750978.db2.gz FAGCZWNKMSOHNP-FXAWDEMLSA-N 2 1 396.532 -0.170 20 0 GBADMP C[C@]12C[NH+](C/C=C\C[N@H+]3C[C@]4(C)C(=O)NC(=O)[C@]4(C)C3)C[C@]1(C)C(=O)NC2=O ZINC000639943255 1073902428 /nfs/dbraw/zinc/90/24/28/1073902428.db2.gz WEWXUHPLEJKSRK-DTGBZTBESA-N 2 1 388.468 -0.488 20 0 GBADMP C[C@]12C[NH+](C/C=C/C[N@@H+]3C[C@]4(C)C(=O)NC(=O)[C@]4(C)C3)C[C@@]1(C)C(=O)NC2=O ZINC000639943256 1073902231 /nfs/dbraw/zinc/90/22/31/1073902231.db2.gz WEWXUHPLEJKSRK-MCBGNAOOSA-N 2 1 388.468 -0.488 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951526 1073903253 /nfs/dbraw/zinc/90/32/53/1073903253.db2.gz NIMCIBQJYDLNEQ-ZMYBRWDISA-N 2 1 380.489 -0.556 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951526 1073903244 /nfs/dbraw/zinc/90/32/44/1073903244.db2.gz NIMCIBQJYDLNEQ-ZMYBRWDISA-N 2 1 380.489 -0.556 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951526 1073903234 /nfs/dbraw/zinc/90/32/34/1073903234.db2.gz NIMCIBQJYDLNEQ-ZMYBRWDISA-N 2 1 380.489 -0.556 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951531 1073903486 /nfs/dbraw/zinc/90/34/86/1073903486.db2.gz NIMCIBQJYDLNEQ-ZOCIIQOWSA-N 2 1 380.489 -0.556 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951531 1073903480 /nfs/dbraw/zinc/90/34/80/1073903480.db2.gz NIMCIBQJYDLNEQ-ZOCIIQOWSA-N 2 1 380.489 -0.556 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951531 1073903475 /nfs/dbraw/zinc/90/34/75/1073903475.db2.gz NIMCIBQJYDLNEQ-ZOCIIQOWSA-N 2 1 380.489 -0.556 20 0 GBADMP C[NH+]1CCN(CCCS(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)CC1 ZINC000641650231 530426647 /nfs/dbraw/zinc/42/66/47/530426647.db2.gz KHMVCXTUXGFAKF-UHFFFAOYSA-N 2 1 375.583 -0.429 20 0 GBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000642707984 1072262932 /nfs/dbraw/zinc/26/29/32/1072262932.db2.gz BDYDZUNRJWJYOK-YJBOKZPZSA-N 2 1 390.484 -0.290 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000642756517 1072351918 /nfs/dbraw/zinc/35/19/18/1072351918.db2.gz UXKUEERVTIWKIH-CVEARBPZSA-N 2 1 381.521 -0.498 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000642785715 1072442893 /nfs/dbraw/zinc/44/28/93/1072442893.db2.gz DZPRQXKFXUXAOM-IAGOWNOFSA-N 2 1 391.516 -0.743 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000642785913 1072444141 /nfs/dbraw/zinc/44/41/41/1072444141.db2.gz QBXLFUPTENSTDI-HZPDHXFCSA-N 2 1 377.489 -0.990 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000642785913 1072444139 /nfs/dbraw/zinc/44/41/39/1072444139.db2.gz QBXLFUPTENSTDI-HZPDHXFCSA-N 2 1 377.489 -0.990 20 0 GBADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642785977 1072444033 /nfs/dbraw/zinc/44/40/33/1072444033.db2.gz VKRMXWNDCIPHKJ-KGLIPLIRSA-N 2 1 391.438 -0.461 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958513 1073014285 /nfs/dbraw/zinc/01/42/85/1073014285.db2.gz JWSUTZYRAJBQNE-ARFHVFGLSA-N 2 1 381.521 -0.546 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958514 1073014497 /nfs/dbraw/zinc/01/44/97/1073014497.db2.gz JWSUTZYRAJBQNE-HRCADAONSA-N 2 1 381.521 -0.546 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958515 1073014590 /nfs/dbraw/zinc/01/45/90/1073014590.db2.gz JWSUTZYRAJBQNE-JYJNAYRXSA-N 2 1 381.521 -0.546 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000642958516 1073014678 /nfs/dbraw/zinc/01/46/78/1073014678.db2.gz JWSUTZYRAJBQNE-XHSDSOJGSA-N 2 1 381.521 -0.546 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642958897 1073016629 /nfs/dbraw/zinc/01/66/29/1073016629.db2.gz IILRSHSDKHUDGP-UAGQMJEPSA-N 2 1 395.548 -0.158 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642958897 1073016617 /nfs/dbraw/zinc/01/66/17/1073016617.db2.gz IILRSHSDKHUDGP-UAGQMJEPSA-N 2 1 395.548 -0.158 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000643542503 1072134595 /nfs/dbraw/zinc/13/45/95/1072134595.db2.gz KLHIOBGKESBDTD-CVEARBPZSA-N 2 1 379.505 -0.792 20 0 GBADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000643542504 1072134810 /nfs/dbraw/zinc/13/48/10/1072134810.db2.gz KLHIOBGKESBDTD-HZPDHXFCSA-N 2 1 379.505 -0.792 20 0 GBADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[C@H]1[NH3+] ZINC000643542543 1072134649 /nfs/dbraw/zinc/13/46/49/1072134649.db2.gz WEWHLIYXJUFYIT-OAGGEKHMSA-N 2 1 379.505 -0.663 20 0 GBADMP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643549686 1072145360 /nfs/dbraw/zinc/14/53/60/1072145360.db2.gz BWGMUCFPEZFPSE-NEWSRXKRSA-N 2 1 389.544 -0.032 20 0 GBADMP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643549689 1072145479 /nfs/dbraw/zinc/14/54/79/1072145479.db2.gz BWGMUCFPEZFPSE-YTQUADARSA-N 2 1 389.544 -0.032 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)CC[C@H]21 ZINC000643549842 1072144772 /nfs/dbraw/zinc/14/47/72/1072144772.db2.gz WJMBTXOMGHMVRV-IXDOHACOSA-N 2 1 391.516 -0.648 20 0 GBADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)CC[C@H]21 ZINC000643549842 1072144764 /nfs/dbraw/zinc/14/47/64/1072144764.db2.gz WJMBTXOMGHMVRV-IXDOHACOSA-N 2 1 391.516 -0.648 20 0 GBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000643553641 1072150680 /nfs/dbraw/zinc/15/06/80/1072150680.db2.gz KPFDKRYYFLLZCZ-CVEARBPZSA-N 2 1 379.505 -0.602 20 0 GBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000643553643 1072150770 /nfs/dbraw/zinc/15/07/70/1072150770.db2.gz KPFDKRYYFLLZCZ-HOTGVXAUSA-N 2 1 379.505 -0.602 20 0 GBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000643553644 1072150756 /nfs/dbraw/zinc/15/07/56/1072150756.db2.gz KPFDKRYYFLLZCZ-HZPDHXFCSA-N 2 1 379.505 -0.602 20 0 GBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000643553646 1072150820 /nfs/dbraw/zinc/15/08/20/1072150820.db2.gz KPFDKRYYFLLZCZ-JKSUJKDBSA-N 2 1 379.505 -0.602 20 0 GBADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C1 ZINC000643580998 1072168573 /nfs/dbraw/zinc/16/85/73/1072168573.db2.gz OYKFINFGPWPASI-KRWDZBQOSA-N 2 1 381.521 -0.938 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@H](C)[N@@H+]1C ZINC000643586799 1072172436 /nfs/dbraw/zinc/17/24/36/1072172436.db2.gz JHZDPYIYZULZTC-YYIAUSFCSA-N 2 1 393.532 -0.356 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[C@H](C)[N@H+]1C ZINC000643586799 1072172433 /nfs/dbraw/zinc/17/24/33/1072172433.db2.gz JHZDPYIYZULZTC-YYIAUSFCSA-N 2 1 393.532 -0.356 20 0 GBADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000643594543 1072183032 /nfs/dbraw/zinc/18/30/32/1072183032.db2.gz OUAQBMDGKBUHHR-HZPDHXFCSA-N 2 1 379.505 -0.791 20 0 GBADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000644195585 1073126429 /nfs/dbraw/zinc/12/64/29/1073126429.db2.gz RSSNDQWYMRQJQK-QGZVFWFLSA-N 2 1 389.500 -0.085 20 0 GBADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000644570702 530138346 /nfs/dbraw/zinc/13/83/46/530138346.db2.gz ZLHOGCRPEOTOGU-INIZCTEOSA-N 2 1 376.523 -0.928 20 0 GBADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000644570702 530138342 /nfs/dbraw/zinc/13/83/42/530138342.db2.gz ZLHOGCRPEOTOGU-INIZCTEOSA-N 2 1 376.523 -0.928 20 0 GBADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000644570703 530138572 /nfs/dbraw/zinc/13/85/72/530138572.db2.gz ZLHOGCRPEOTOGU-MRXNPFEDSA-N 2 1 376.523 -0.928 20 0 GBADMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000644570703 530138570 /nfs/dbraw/zinc/13/85/70/530138570.db2.gz ZLHOGCRPEOTOGU-MRXNPFEDSA-N 2 1 376.523 -0.928 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000645030801 1073865647 /nfs/dbraw/zinc/86/56/47/1073865647.db2.gz QYMYBXFTSZDCLH-UHFFFAOYSA-N 2 1 380.493 -0.048 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000645139021 1073875979 /nfs/dbraw/zinc/87/59/79/1073875979.db2.gz JHZQIGALZUCYJO-HNNXBMFYSA-N 2 1 396.536 -0.262 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000645139022 1073875352 /nfs/dbraw/zinc/87/53/52/1073875352.db2.gz JHZQIGALZUCYJO-OAHLLOKOSA-N 2 1 396.536 -0.262 20 0 GBADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647030206 1072316699 /nfs/dbraw/zinc/31/66/99/1072316699.db2.gz IRIJKSKOTIMUBW-KRWDZBQOSA-N 2 1 395.548 -0.012 20 0 GBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)CCO2 ZINC000647558522 1072997788 /nfs/dbraw/zinc/99/77/88/1072997788.db2.gz OVWFMZZCQIOXOG-UHFFFAOYSA-N 2 1 382.505 -0.775 20 0 GBADMP C[NH+]1CCC2(CC1)CN(C(=O)C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)CCO2 ZINC000647562999 1073001527 /nfs/dbraw/zinc/00/15/27/1073001527.db2.gz POKDUOXUDCMUGM-QGZVFWFLSA-N 2 1 394.516 -0.510 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000647563137 1073001553 /nfs/dbraw/zinc/00/15/53/1073001553.db2.gz WFGFZZUCSVBTCY-INIZCTEOSA-N 2 1 396.532 -0.387 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000647563137 1073001547 /nfs/dbraw/zinc/00/15/47/1073001547.db2.gz WFGFZZUCSVBTCY-INIZCTEOSA-N 2 1 396.532 -0.387 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000647565162 1073001093 /nfs/dbraw/zinc/00/10/93/1073001093.db2.gz BAOMVAWZCIEIOI-UHFFFAOYSA-N 2 1 396.532 -0.121 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000647567082 1073002791 /nfs/dbraw/zinc/00/27/91/1073002791.db2.gz KVONZMODFGHMNQ-DLBZAZTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000647567082 1073002784 /nfs/dbraw/zinc/00/27/84/1073002784.db2.gz KVONZMODFGHMNQ-DLBZAZTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647567082 1073002777 /nfs/dbraw/zinc/00/27/77/1073002777.db2.gz KVONZMODFGHMNQ-DLBZAZTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000647567084 1073002631 /nfs/dbraw/zinc/00/26/31/1073002631.db2.gz KVONZMODFGHMNQ-IRXDYDNUSA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000647567084 1073002623 /nfs/dbraw/zinc/00/26/23/1073002623.db2.gz KVONZMODFGHMNQ-IRXDYDNUSA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647567084 1073002616 /nfs/dbraw/zinc/00/26/16/1073002616.db2.gz KVONZMODFGHMNQ-IRXDYDNUSA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CC[NH+](C)C1 ZINC000647567085 1073002409 /nfs/dbraw/zinc/00/24/09/1073002409.db2.gz KVONZMODFGHMNQ-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CC[NH+](C)C1 ZINC000647567085 1073002398 /nfs/dbraw/zinc/00/23/98/1073002398.db2.gz KVONZMODFGHMNQ-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567085 1073002387 /nfs/dbraw/zinc/00/23/87/1073002387.db2.gz KVONZMODFGHMNQ-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706477 1073409018 /nfs/dbraw/zinc/40/90/18/1073409018.db2.gz JXALFLQUMMUSPW-BZSNNMDCSA-N 2 1 394.516 -0.633 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706477 1073409007 /nfs/dbraw/zinc/40/90/07/1073409007.db2.gz JXALFLQUMMUSPW-BZSNNMDCSA-N 2 1 394.516 -0.633 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706478 1073409431 /nfs/dbraw/zinc/40/94/31/1073409431.db2.gz JXALFLQUMMUSPW-KSZLIROESA-N 2 1 394.516 -0.633 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706478 1073409425 /nfs/dbraw/zinc/40/94/25/1073409425.db2.gz JXALFLQUMMUSPW-KSZLIROESA-N 2 1 394.516 -0.633 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706479 1073409562 /nfs/dbraw/zinc/40/95/62/1073409562.db2.gz JXALFLQUMMUSPW-KURKYZTESA-N 2 1 394.516 -0.633 20 0 GBADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706479 1073409554 /nfs/dbraw/zinc/40/95/54/1073409554.db2.gz JXALFLQUMMUSPW-KURKYZTESA-N 2 1 394.516 -0.633 20 0 GBADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000647829707 1073972538 /nfs/dbraw/zinc/97/25/38/1073972538.db2.gz PKRAAJLHNWJREM-AWEZNQCLSA-N 2 1 384.477 -0.061 20 0 GBADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000647829707 1073972532 /nfs/dbraw/zinc/97/25/32/1073972532.db2.gz PKRAAJLHNWJREM-AWEZNQCLSA-N 2 1 384.477 -0.061 20 0 GBADMP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCN1CC[NH2+]CC1 ZINC000647834945 1073974459 /nfs/dbraw/zinc/97/44/59/1073974459.db2.gz GNWLTXPGIQNNBQ-UHFFFAOYSA-N 2 1 397.545 -0.780 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978525 1073133105 /nfs/dbraw/zinc/13/31/05/1073133105.db2.gz TXZKALIYGFQGRI-MCIONIFRSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978526 1073133182 /nfs/dbraw/zinc/13/31/82/1073133182.db2.gz TXZKALIYGFQGRI-MGPQQGTHSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978527 1073133314 /nfs/dbraw/zinc/13/33/14/1073133314.db2.gz TXZKALIYGFQGRI-RDBSUJKOSA-N 2 1 377.489 -0.051 20 0 GBADMP CN(C(=O)COC1(C)C[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152481 1072538150 /nfs/dbraw/zinc/53/81/50/1072538150.db2.gz NWPPNWVGQPIFIU-UHFFFAOYSA-N 3 1 381.521 -0.938 20 0 GBADMP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152498 1072538750 /nfs/dbraw/zinc/53/87/50/1072538750.db2.gz SMQNZKNDTDDCJO-FXAWDEMLSA-N 3 1 377.533 -0.317 20 0 GBADMP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152501 1072538226 /nfs/dbraw/zinc/53/82/26/1072538226.db2.gz SMQNZKNDTDDCJO-YLJYHZDGSA-N 3 1 377.533 -0.317 20 0 GBADMP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152518 1072538651 /nfs/dbraw/zinc/53/86/51/1072538651.db2.gz WSEQQDRNBBKWOO-MRXNPFEDSA-N 3 1 397.589 -0.222 20 0 GBADMP CN(C(=O)CCOC1C[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152525 1072538412 /nfs/dbraw/zinc/53/84/12/1072538412.db2.gz XGSHKIBYOAWZHI-UHFFFAOYSA-N 3 1 381.521 -0.938 20 0 GBADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648178280 1072495448 /nfs/dbraw/zinc/49/54/48/1072495448.db2.gz LRFZFDMRUOQRKG-UHFFFAOYSA-N 2 1 392.525 -0.246 20 0 GBADMP C[NH+]1CCC(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)(N2CCOCC2)CC1 ZINC000651153977 1073222182 /nfs/dbraw/zinc/22/21/82/1073222182.db2.gz CYMUIUPFYJBOFX-QGZVFWFLSA-N 2 1 381.521 -0.757 20 0 GBADMP C[NH+]1CCC(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)(N2CCOCC2)CC1 ZINC000651153977 1073222178 /nfs/dbraw/zinc/22/21/78/1073222178.db2.gz CYMUIUPFYJBOFX-QGZVFWFLSA-N 2 1 381.521 -0.757 20 0 GBADMP CCO[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652124375 1073368169 /nfs/dbraw/zinc/36/81/69/1073368169.db2.gz AKPDNNVMMPHDAO-IAGOWNOFSA-N 2 1 391.520 -0.006 20 0 GBADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000652225069 530175175 /nfs/dbraw/zinc/17/51/75/530175175.db2.gz OWROXQHYURHNBB-UHFFFAOYSA-N 2 1 375.539 -0.407 20 0 GBADMP CC(C)C[N@H+](C)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000652225069 530175173 /nfs/dbraw/zinc/17/51/73/530175173.db2.gz OWROXQHYURHNBB-UHFFFAOYSA-N 2 1 375.539 -0.407 20 0 GBADMP [NH3+]Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c(F)c1 ZINC000652268594 1073489501 /nfs/dbraw/zinc/48/95/01/1073489501.db2.gz DMTYPRAAMGBHDW-UHFFFAOYSA-N 2 1 385.465 -0.587 20 0 GBADMP C[NH2+]Cc1ccccc1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000652291898 1073491266 /nfs/dbraw/zinc/49/12/66/1073491266.db2.gz MWNLAZWATRIGBW-UHFFFAOYSA-N 2 1 381.502 -0.465 20 0 GBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347607 1073502491 /nfs/dbraw/zinc/50/24/91/1073502491.db2.gz GJPOSRGPMGLEMS-ARFHVFGLSA-N 2 1 390.550 -0.398 20 0 GBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347608 1073502964 /nfs/dbraw/zinc/50/29/64/1073502964.db2.gz GJPOSRGPMGLEMS-HRCADAONSA-N 2 1 390.550 -0.398 20 0 GBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347609 1073503139 /nfs/dbraw/zinc/50/31/39/1073503139.db2.gz GJPOSRGPMGLEMS-JYJNAYRXSA-N 2 1 390.550 -0.398 20 0 GBADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347610 1073502603 /nfs/dbraw/zinc/50/26/03/1073502603.db2.gz GJPOSRGPMGLEMS-XHSDSOJGSA-N 2 1 390.550 -0.398 20 0 GBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348793 1073502906 /nfs/dbraw/zinc/50/29/06/1073502906.db2.gz RIQXDULYAQYZMI-BZSNNMDCSA-N 2 1 395.548 -0.563 20 0 GBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348794 1073503076 /nfs/dbraw/zinc/50/30/76/1073503076.db2.gz RIQXDULYAQYZMI-KSZLIROESA-N 2 1 395.548 -0.563 20 0 GBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348795 1073503176 /nfs/dbraw/zinc/50/31/76/1073503176.db2.gz RIQXDULYAQYZMI-OKZBNKHCSA-N 2 1 395.548 -0.563 20 0 GBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348796 1073502640 /nfs/dbraw/zinc/50/26/40/1073502640.db2.gz RIQXDULYAQYZMI-RCCFBDPRSA-N 2 1 395.548 -0.563 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349225 1073502702 /nfs/dbraw/zinc/50/27/02/1073502702.db2.gz GVOFHTZXABAHIW-RFGFWPKPSA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349225 1073502695 /nfs/dbraw/zinc/50/26/95/1073502695.db2.gz GVOFHTZXABAHIW-RFGFWPKPSA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349226 1073502677 /nfs/dbraw/zinc/50/26/77/1073502677.db2.gz GVOFHTZXABAHIW-RQJABVFESA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349226 1073502669 /nfs/dbraw/zinc/50/26/69/1073502669.db2.gz GVOFHTZXABAHIW-RQJABVFESA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349227 1073502791 /nfs/dbraw/zinc/50/27/91/1073502791.db2.gz GVOFHTZXABAHIW-XJFOESAGSA-N 2 1 393.488 -0.544 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349227 1073502786 /nfs/dbraw/zinc/50/27/86/1073502786.db2.gz GVOFHTZXABAHIW-XJFOESAGSA-N 2 1 393.488 -0.544 20 0 GBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349625 1073502871 /nfs/dbraw/zinc/50/28/71/1073502871.db2.gz VYGKLLDSHDTSGU-OBJOEFQTSA-N 2 1 379.461 -0.933 20 0 GBADMP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349625 1073502851 /nfs/dbraw/zinc/50/28/51/1073502851.db2.gz VYGKLLDSHDTSGU-OBJOEFQTSA-N 2 1 379.461 -0.933 20 0 GBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349626 1073504035 /nfs/dbraw/zinc/50/40/35/1073504035.db2.gz VYGKLLDSHDTSGU-OUCADQQQSA-N 2 1 379.461 -0.933 20 0 GBADMP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349626 1073504031 /nfs/dbraw/zinc/50/40/31/1073504031.db2.gz VYGKLLDSHDTSGU-OUCADQQQSA-N 2 1 379.461 -0.933 20 0 GBADMP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349628 1073504121 /nfs/dbraw/zinc/50/41/21/1073504121.db2.gz VYGKLLDSHDTSGU-SGMGOOAPSA-N 2 1 379.461 -0.933 20 0 GBADMP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(=O)n(C)c1=O ZINC000652349628 1073504117 /nfs/dbraw/zinc/50/41/17/1073504117.db2.gz VYGKLLDSHDTSGU-SGMGOOAPSA-N 2 1 379.461 -0.933 20 0 GBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652413339 1073515705 /nfs/dbraw/zinc/51/57/05/1073515705.db2.gz RIQWXQWWUVGHAL-UHFFFAOYSA-N 2 1 395.548 -0.202 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1=O ZINC000652423808 1073515772 /nfs/dbraw/zinc/51/57/72/1073515772.db2.gz YLCRWNWREODWMK-UHFFFAOYSA-N 2 1 381.521 -0.448 20 0 GBADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000652465673 1073521808 /nfs/dbraw/zinc/52/18/08/1073521808.db2.gz HSLUDSAXYFSAMD-UHFFFAOYSA-N 2 1 383.537 -0.297 20 0 GBADMP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000652465673 1073521797 /nfs/dbraw/zinc/52/17/97/1073521797.db2.gz HSLUDSAXYFSAMD-UHFFFAOYSA-N 2 1 383.537 -0.297 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000652468567 1073522905 /nfs/dbraw/zinc/52/29/05/1073522905.db2.gz KSPWXNSEJKEKFN-KRWDZBQOSA-N 2 1 393.532 -0.591 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000652468568 1073522669 /nfs/dbraw/zinc/52/26/69/1073522669.db2.gz KSPWXNSEJKEKFN-QGZVFWFLSA-N 2 1 393.532 -0.591 20 0 GBADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000652471743 1073523952 /nfs/dbraw/zinc/52/39/52/1073523952.db2.gz DXEPRQPBCSPGJX-KRWDZBQOSA-N 2 1 393.532 -0.304 20 0 GBADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652471866 1073523664 /nfs/dbraw/zinc/52/36/64/1073523664.db2.gz KNNSPFRGLXPGNR-UHFFFAOYSA-N 2 1 378.477 -0.728 20 0 GBADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652476558 1073524841 /nfs/dbraw/zinc/52/48/41/1073524841.db2.gz AXQZYPKPIZOEOM-CVEARBPZSA-N 2 1 379.505 -0.696 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1=O ZINC000652479583 1073524987 /nfs/dbraw/zinc/52/49/87/1073524987.db2.gz GHOGVBZEHWLOAE-CVEARBPZSA-N 2 1 379.505 -0.839 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1=O ZINC000652505410 1073527957 /nfs/dbraw/zinc/52/79/57/1073527957.db2.gz NPKGEHKBWPVYRU-IBGZPJMESA-N 2 1 379.505 -0.837 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1=O ZINC000652505411 1073528327 /nfs/dbraw/zinc/52/83/27/1073528327.db2.gz NPKGEHKBWPVYRU-LJQANCHMSA-N 2 1 379.505 -0.837 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000652636667 1073552763 /nfs/dbraw/zinc/55/27/63/1073552763.db2.gz ULJMDZAVBSZTOX-CZUORRHYSA-N 2 1 391.472 -0.053 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000652666043 1073608441 /nfs/dbraw/zinc/60/84/41/1073608441.db2.gz ZSQOCODMDNSFLC-IAGOWNOFSA-N 2 1 396.532 -0.040 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652674845 1073639087 /nfs/dbraw/zinc/63/90/87/1073639087.db2.gz HJPNNWPZPLEEMO-CAOSSQGBSA-N 2 1 384.521 -0.187 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652674846 1073639270 /nfs/dbraw/zinc/63/92/70/1073639270.db2.gz HJPNNWPZPLEEMO-KLHDSHLOSA-N 2 1 384.521 -0.187 20 0 GBADMP [NH3+]CC1(CCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000652677262 1073644498 /nfs/dbraw/zinc/64/44/98/1073644498.db2.gz VQXOQSIAABSHDN-UHFFFAOYSA-N 2 1 389.504 -0.650 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652677263 1073644135 /nfs/dbraw/zinc/64/41/35/1073644135.db2.gz VVWMXEUVHUNFQI-BRWVUGGUSA-N 2 1 383.537 -0.803 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652677264 1073644030 /nfs/dbraw/zinc/64/40/30/1073644030.db2.gz VVWMXEUVHUNFQI-IXDOHACOSA-N 2 1 383.537 -0.803 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652683397 1073672215 /nfs/dbraw/zinc/67/22/15/1073672215.db2.gz NAQZSSCWBGEDNU-IAGOWNOFSA-N 2 1 383.537 -0.658 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684281 1073680635 /nfs/dbraw/zinc/68/06/35/1073680635.db2.gz JQXUXMYPDAHWRP-INIZCTEOSA-N 2 1 381.521 -0.449 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684282 1073680500 /nfs/dbraw/zinc/68/05/00/1073680500.db2.gz JQXUXMYPDAHWRP-MRXNPFEDSA-N 2 1 381.521 -0.449 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684759 1073691901 /nfs/dbraw/zinc/69/19/01/1073691901.db2.gz WQGSQCWNTZDJCR-BSDSXHPESA-N 2 1 396.532 -0.042 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684760 1073691481 /nfs/dbraw/zinc/69/14/81/1073691481.db2.gz WQGSQCWNTZDJCR-FJIDUMEYSA-N 2 1 396.532 -0.042 20 0 GBADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652690064 1072472899 /nfs/dbraw/zinc/47/28/99/1072472899.db2.gz ACBAHGMQKUEZTJ-BBWFWOEESA-N 2 1 384.521 -0.184 20 0 GBADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652692534 1073230675 /nfs/dbraw/zinc/23/06/75/1073230675.db2.gz XFUIJJJMKFTLJO-VVLHAWIVSA-N 2 1 382.505 -0.432 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652694136 1073369780 /nfs/dbraw/zinc/36/97/80/1073369780.db2.gz PGZBNNGGULQKHF-BRWVUGGUSA-N 2 1 383.537 -0.802 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652694137 1073369324 /nfs/dbraw/zinc/36/93/24/1073369324.db2.gz PGZBNNGGULQKHF-GVDBMIGSSA-N 2 1 383.537 -0.802 20 0 GBADMP CC[N@@H+](CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000652694541 1073489525 /nfs/dbraw/zinc/48/95/25/1073489525.db2.gz AJJHLXZYIJUVCQ-UHFFFAOYSA-N 2 1 381.521 -0.305 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000652727908 1072343641 /nfs/dbraw/zinc/34/36/41/1072343641.db2.gz JXVZDJOLEISVFT-HZPDHXFCSA-N 2 1 375.473 -0.139 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000652729162 1072413818 /nfs/dbraw/zinc/41/38/18/1072413818.db2.gz UQTVAGVDUJHJDD-KZNAEPCWSA-N 2 1 395.548 -0.563 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652730165 1072613735 /nfs/dbraw/zinc/61/37/35/1072613735.db2.gz KGMJEDUYSLLTGY-BFYDXBDKSA-N 2 1 382.505 -0.480 20 0 GBADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000652734121 1072780728 /nfs/dbraw/zinc/78/07/28/1072780728.db2.gz ZNSDTDHGHWUCLQ-UHFFFAOYSA-N 2 1 384.521 -0.217 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)[N@@H+]1CCO ZINC000652734515 1072790911 /nfs/dbraw/zinc/79/09/11/1072790911.db2.gz NKFAONADIVZANN-IGKNDFSCSA-N 2 1 396.532 -0.355 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C[C@H](C)[N@H+]1CCO ZINC000652734515 1072790899 /nfs/dbraw/zinc/79/08/99/1072790899.db2.gz NKFAONADIVZANN-IGKNDFSCSA-N 2 1 396.532 -0.355 20 0 GBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652736908 1072847786 /nfs/dbraw/zinc/84/77/86/1072847786.db2.gz SWFSKQMKPMZFEV-VQTJNVASSA-N 2 1 399.539 -0.122 20 0 GBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652736908 1072847766 /nfs/dbraw/zinc/84/77/66/1072847766.db2.gz SWFSKQMKPMZFEV-VQTJNVASSA-N 2 1 399.539 -0.122 20 0 GBADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652736909 1072847885 /nfs/dbraw/zinc/84/78/85/1072847885.db2.gz SWFSKQMKPMZFEV-WOJBJXKFSA-N 2 1 399.539 -0.122 20 0 GBADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652736909 1072847873 /nfs/dbraw/zinc/84/78/73/1072847873.db2.gz SWFSKQMKPMZFEV-WOJBJXKFSA-N 2 1 399.539 -0.122 20 0 GBADMP CCO[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000653248043 1072341614 /nfs/dbraw/zinc/34/16/14/1072341614.db2.gz APMZQKPENXBNSP-BRWVUGGUSA-N 2 1 382.505 -0.478 20 0 GBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369089 1072908478 /nfs/dbraw/zinc/90/84/78/1072908478.db2.gz JUPITGHTIICIPU-CALCHBBNSA-N 2 1 395.548 -0.297 20 0 GBADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653371488 1072914024 /nfs/dbraw/zinc/91/40/24/1072914024.db2.gz LNWLPDKKPQPCSY-KRWDZBQOSA-N 2 1 395.548 -0.010 20 0 GBADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653384371 1072966537 /nfs/dbraw/zinc/96/65/37/1072966537.db2.gz QXUMRLFRRKAXIG-KRWDZBQOSA-N 2 1 395.548 -0.010 20 0 GBADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653398314 1073009724 /nfs/dbraw/zinc/00/97/24/1073009724.db2.gz MAAVXCUVHHDNLW-INIZCTEOSA-N 2 1 381.521 -0.401 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1=O ZINC000653430414 1073359321 /nfs/dbraw/zinc/35/93/21/1073359321.db2.gz DHJTVGLEZKFVFJ-INIZCTEOSA-N 2 1 379.505 -0.648 20 0 GBADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000654906906 1072148651 /nfs/dbraw/zinc/14/86/51/1072148651.db2.gz GQDOQGXSTLINFG-JKSUJKDBSA-N 2 1 376.457 -0.157 20 0 GBADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000654906997 1072149446 /nfs/dbraw/zinc/14/94/46/1072149446.db2.gz KUQSVLFBLIGQLS-JKSUJKDBSA-N 2 1 376.457 -0.157 20 0 GBADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907217 1072149487 /nfs/dbraw/zinc/14/94/87/1072149487.db2.gz WZVDWGFPLJJZSM-LSDHHAIUSA-N 2 1 376.457 -0.027 20 0 GBADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654907340 1072149526 /nfs/dbraw/zinc/14/95/26/1072149526.db2.gz CBWXWVSURZJQGR-JKSUJKDBSA-N 2 1 390.488 -0.244 20 0 GBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000654907559 1072148121 /nfs/dbraw/zinc/14/81/21/1072148121.db2.gz LEDMJNFVLKQLAS-JKSUJKDBSA-N 2 1 389.456 -0.597 20 0 GBADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000654907559 1072148115 /nfs/dbraw/zinc/14/81/15/1072148115.db2.gz LEDMJNFVLKQLAS-JKSUJKDBSA-N 2 1 389.456 -0.597 20 0 GBADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000654908254 1072149537 /nfs/dbraw/zinc/14/95/37/1072149537.db2.gz VEMYTHATZJJXOF-LSDHHAIUSA-N 2 1 394.447 -0.018 20 0 GBADMP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655958505 1072345975 /nfs/dbraw/zinc/34/59/75/1072345975.db2.gz LLYCWXPMDSYWII-CVEARBPZSA-N 2 1 387.488 -0.042 20 0 GBADMP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655958508 1072345675 /nfs/dbraw/zinc/34/56/75/1072345675.db2.gz LLYCWXPMDSYWII-HOTGVXAUSA-N 2 1 387.488 -0.042 20 0 GBADMP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655958510 1072346993 /nfs/dbraw/zinc/34/69/93/1072346993.db2.gz LLYCWXPMDSYWII-HZPDHXFCSA-N 2 1 387.488 -0.042 20 0 GBADMP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655958512 1072347146 /nfs/dbraw/zinc/34/71/46/1072347146.db2.gz LLYCWXPMDSYWII-JKSUJKDBSA-N 2 1 387.488 -0.042 20 0 GBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974901 1072350437 /nfs/dbraw/zinc/35/04/37/1072350437.db2.gz RTOHPNRXFNNWDQ-CVEARBPZSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974901 1072350428 /nfs/dbraw/zinc/35/04/28/1072350428.db2.gz RTOHPNRXFNNWDQ-CVEARBPZSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974904 1072350568 /nfs/dbraw/zinc/35/05/68/1072350568.db2.gz RTOHPNRXFNNWDQ-HOTGVXAUSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974904 1072350564 /nfs/dbraw/zinc/35/05/64/1072350564.db2.gz RTOHPNRXFNNWDQ-HOTGVXAUSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974905 1072350393 /nfs/dbraw/zinc/35/03/93/1072350393.db2.gz RTOHPNRXFNNWDQ-HZPDHXFCSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974905 1072350378 /nfs/dbraw/zinc/35/03/78/1072350378.db2.gz RTOHPNRXFNNWDQ-HZPDHXFCSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974908 1072350268 /nfs/dbraw/zinc/35/02/68/1072350268.db2.gz RTOHPNRXFNNWDQ-JKSUJKDBSA-N 2 1 385.534 -0.368 20 0 GBADMP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655974908 1072350255 /nfs/dbraw/zinc/35/02/55/1072350255.db2.gz RTOHPNRXFNNWDQ-JKSUJKDBSA-N 2 1 385.534 -0.368 20 0 GBADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000656023636 1072379993 /nfs/dbraw/zinc/37/99/93/1072379993.db2.gz FYXPAHUKVRCKTC-VSHCVGGASA-N 2 1 376.501 -0.466 20 0 GBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000656027997 1072380780 /nfs/dbraw/zinc/38/07/80/1072380780.db2.gz GVFOJXKZNKJQSU-BBWFWOEESA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000656027997 1072380772 /nfs/dbraw/zinc/38/07/72/1072380772.db2.gz GVFOJXKZNKJQSU-BBWFWOEESA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000656027998 1072381250 /nfs/dbraw/zinc/38/12/50/1072381250.db2.gz GVFOJXKZNKJQSU-BRWVUGGUSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000656027998 1072381245 /nfs/dbraw/zinc/38/12/45/1072381245.db2.gz GVFOJXKZNKJQSU-BRWVUGGUSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000656027999 1072380822 /nfs/dbraw/zinc/38/08/22/1072380822.db2.gz GVFOJXKZNKJQSU-GVDBMIGSSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000656027999 1072380815 /nfs/dbraw/zinc/38/08/15/1072380815.db2.gz GVFOJXKZNKJQSU-GVDBMIGSSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000656028000 1072381149 /nfs/dbraw/zinc/38/11/49/1072381149.db2.gz GVFOJXKZNKJQSU-ZACQAIPSSA-N 2 1 391.516 -0.458 20 0 GBADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000656028000 1072381144 /nfs/dbraw/zinc/38/11/44/1072381144.db2.gz GVFOJXKZNKJQSU-ZACQAIPSSA-N 2 1 391.516 -0.458 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656028212 1072381913 /nfs/dbraw/zinc/38/19/13/1072381913.db2.gz IQKWEMGHEULZLB-BBWFWOEESA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656028213 1072382208 /nfs/dbraw/zinc/38/22/08/1072382208.db2.gz IQKWEMGHEULZLB-GVDBMIGSSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656028214 1072382103 /nfs/dbraw/zinc/38/21/03/1072382103.db2.gz IQKWEMGHEULZLB-ULQDDVLXSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656028215 1072381941 /nfs/dbraw/zinc/38/19/41/1072381941.db2.gz IQKWEMGHEULZLB-YESZJQIVSA-N 2 1 393.532 -0.034 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656029332 1072381567 /nfs/dbraw/zinc/38/15/67/1072381567.db2.gz YLWNPMLFBVFADL-BZUAXINKSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656029333 1072381992 /nfs/dbraw/zinc/38/19/92/1072381992.db2.gz YLWNPMLFBVFADL-OAGGEKHMSA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656029334 1072382853 /nfs/dbraw/zinc/38/28/53/1072382853.db2.gz YLWNPMLFBVFADL-OWCLPIDISA-N 2 1 379.505 -0.567 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656029335 1072383006 /nfs/dbraw/zinc/38/30/06/1072383006.db2.gz YLWNPMLFBVFADL-PMPSAXMXSA-N 2 1 379.505 -0.567 20 0 GBADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656060610 1072396145 /nfs/dbraw/zinc/39/61/45/1072396145.db2.gz IBEZNOCMTKXQQZ-RBUKOAKNSA-N 2 1 386.496 -0.002 20 0 GBADMP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656060610 1072396140 /nfs/dbraw/zinc/39/61/40/1072396140.db2.gz IBEZNOCMTKXQQZ-RBUKOAKNSA-N 2 1 386.496 -0.002 20 0 GBADMP O=C(C(=O)N1CCC[NH+](Cc2ccccc2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656060610 1072396132 /nfs/dbraw/zinc/39/61/32/1072396132.db2.gz IBEZNOCMTKXQQZ-RBUKOAKNSA-N 2 1 386.496 -0.002 20 0 GBADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000656062807 1072397669 /nfs/dbraw/zinc/39/76/69/1072397669.db2.gz QCAIKHCXOVWRQN-CEXWTWQISA-N 2 1 386.496 -0.003 20 0 GBADMP CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000656062807 1072397665 /nfs/dbraw/zinc/39/76/65/1072397665.db2.gz QCAIKHCXOVWRQN-CEXWTWQISA-N 2 1 386.496 -0.003 20 0 GBADMP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656062807 1072397662 /nfs/dbraw/zinc/39/76/62/1072397662.db2.gz QCAIKHCXOVWRQN-CEXWTWQISA-N 2 1 386.496 -0.003 20 0 GBADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000656062811 1072397557 /nfs/dbraw/zinc/39/75/57/1072397557.db2.gz QCAIKHCXOVWRQN-GBESFXJTSA-N 2 1 386.496 -0.003 20 0 GBADMP CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000656062811 1072397550 /nfs/dbraw/zinc/39/75/50/1072397550.db2.gz QCAIKHCXOVWRQN-GBESFXJTSA-N 2 1 386.496 -0.003 20 0 GBADMP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656062811 1072397546 /nfs/dbraw/zinc/39/75/46/1072397546.db2.gz QCAIKHCXOVWRQN-GBESFXJTSA-N 2 1 386.496 -0.003 20 0 GBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000656062901 1072396532 /nfs/dbraw/zinc/39/65/32/1072396532.db2.gz UFFUDVOQLOWKHO-ZWKOTPCHSA-N 2 1 378.517 -0.012 20 0 GBADMP O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCN(CCc2cccs2)CC1 ZINC000656064863 1072398502 /nfs/dbraw/zinc/39/85/02/1072398502.db2.gz YFOQYXOMZCMEMO-JKSUJKDBSA-N 2 1 392.525 -0.288 20 0 GBADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656066019 1072398642 /nfs/dbraw/zinc/39/86/42/1072398642.db2.gz WCJGDPLIAFDHAS-UHFFFAOYSA-N 2 1 394.524 -0.471 20 0 GBADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656066759 1072399819 /nfs/dbraw/zinc/39/98/19/1072399819.db2.gz HWNIPGXVZKZXLJ-ZWKOTPCHSA-N 2 1 392.475 -0.007 20 0 GBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000656067832 1072399587 /nfs/dbraw/zinc/39/95/87/1072399587.db2.gz NMMCRVAOLPOFBW-ZWKOTPCHSA-N 2 1 394.516 -0.775 20 0 GBADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC000656069835 1072400797 /nfs/dbraw/zinc/40/07/97/1072400797.db2.gz QQVQMCHUOMBQCX-LSDHHAIUSA-N 2 1 389.456 -0.984 20 0 GBADMP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC000656072821 1072402787 /nfs/dbraw/zinc/40/27/87/1072402787.db2.gz YXFBRMNVVYWGMM-ZGUYJTEBSA-N 2 1 378.517 -0.013 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656075394 1072404429 /nfs/dbraw/zinc/40/44/29/1072404429.db2.gz KZMFFCWYXZBWFY-LSDHHAIUSA-N 2 1 389.456 -0.984 20 0 GBADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075669 1072404246 /nfs/dbraw/zinc/40/42/46/1072404246.db2.gz QWDCTRGPPLXMHU-LSDHHAIUSA-N 2 1 380.514 -0.084 20 0 GBADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656077582 1072406184 /nfs/dbraw/zinc/40/61/84/1072406184.db2.gz YFNFUZPXXNRTEI-CEXWTWQISA-N 2 1 386.496 -0.003 20 0 GBADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656077582 1072406180 /nfs/dbraw/zinc/40/61/80/1072406180.db2.gz YFNFUZPXXNRTEI-CEXWTWQISA-N 2 1 386.496 -0.003 20 0 GBADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656077583 1072406524 /nfs/dbraw/zinc/40/65/24/1072406524.db2.gz YFNFUZPXXNRTEI-GBESFXJTSA-N 2 1 386.496 -0.003 20 0 GBADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656077583 1072406512 /nfs/dbraw/zinc/40/65/12/1072406512.db2.gz YFNFUZPXXNRTEI-GBESFXJTSA-N 2 1 386.496 -0.003 20 0 GBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656079151 1072406088 /nfs/dbraw/zinc/40/60/88/1072406088.db2.gz GESVKVNHVVWDJB-JKSUJKDBSA-N 2 1 382.505 -0.919 20 0 GBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656079151 1072406086 /nfs/dbraw/zinc/40/60/86/1072406086.db2.gz GESVKVNHVVWDJB-JKSUJKDBSA-N 2 1 382.505 -0.919 20 0 GBADMP O=C(C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656079324 1072406625 /nfs/dbraw/zinc/40/66/25/1072406625.db2.gz MRHLVGPGCJUJHP-ZGXWSNOMSA-N 2 1 398.507 -0.146 20 0 GBADMP O=C(C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656079324 1072406615 /nfs/dbraw/zinc/40/66/15/1072406615.db2.gz MRHLVGPGCJUJHP-ZGXWSNOMSA-N 2 1 398.507 -0.146 20 0 GBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079527 1072405257 /nfs/dbraw/zinc/40/52/57/1072405257.db2.gz ISPBLBSWIYFJLG-BBWFWOEESA-N 2 1 382.505 -0.777 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079530 1072405600 /nfs/dbraw/zinc/40/56/00/1072405600.db2.gz ISPBLBSWIYFJLG-GVDBMIGSSA-N 2 1 382.505 -0.777 20 0 GBADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656079540 1072406357 /nfs/dbraw/zinc/40/63/57/1072406357.db2.gz PKRVVDMOYMPRHU-JKSUJKDBSA-N 2 1 382.505 -0.777 20 0 GBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000656079624 1072406123 /nfs/dbraw/zinc/40/61/23/1072406123.db2.gz WQFBEHWCUHPZIP-DLBZAZTESA-N 2 1 394.516 -0.633 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1CCOC ZINC000656082025 1072408309 /nfs/dbraw/zinc/40/83/09/1072408309.db2.gz NXPVEOCTEAXZAP-YESZJQIVSA-N 2 1 382.505 -0.777 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH+]1CCOC ZINC000656082025 1072408306 /nfs/dbraw/zinc/40/83/06/1072408306.db2.gz NXPVEOCTEAXZAP-YESZJQIVSA-N 2 1 382.505 -0.777 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@H+]1CCOC ZINC000656082025 1072408303 /nfs/dbraw/zinc/40/83/03/1072408303.db2.gz NXPVEOCTEAXZAP-YESZJQIVSA-N 2 1 382.505 -0.777 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1CCOC ZINC000656082025 1072408301 /nfs/dbraw/zinc/40/83/01/1072408301.db2.gz NXPVEOCTEAXZAP-YESZJQIVSA-N 2 1 382.505 -0.777 20 0 GBADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084541 1072409408 /nfs/dbraw/zinc/40/94/08/1072409408.db2.gz XCURLIHGEWCFDC-JKSUJKDBSA-N 2 1 380.514 -0.084 20 0 GBADMP O=C(C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000656086031 1072410256 /nfs/dbraw/zinc/41/02/56/1072410256.db2.gz PUZMLCIHWCULCD-VNTMZGSJSA-N 2 1 398.507 -0.003 20 0 GBADMP O=C(C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000656086031 1072410248 /nfs/dbraw/zinc/41/02/48/1072410248.db2.gz PUZMLCIHWCULCD-VNTMZGSJSA-N 2 1 398.507 -0.003 20 0 GBADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000656086031 1072410238 /nfs/dbraw/zinc/41/02/38/1072410238.db2.gz PUZMLCIHWCULCD-VNTMZGSJSA-N 2 1 398.507 -0.003 20 0 GBADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656088891 1072410648 /nfs/dbraw/zinc/41/06/48/1072410648.db2.gz OOMNTWAJKMXDSJ-JKSUJKDBSA-N 2 1 378.473 -0.163 20 0 GBADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656088891 1072410646 /nfs/dbraw/zinc/41/06/46/1072410646.db2.gz OOMNTWAJKMXDSJ-JKSUJKDBSA-N 2 1 378.473 -0.163 20 0 GBADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656088891 1072410641 /nfs/dbraw/zinc/41/06/41/1072410641.db2.gz OOMNTWAJKMXDSJ-JKSUJKDBSA-N 2 1 378.473 -0.163 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1c1ccc(F)cc1 ZINC000656104665 1072413257 /nfs/dbraw/zinc/41/32/57/1072413257.db2.gz UFFXBTAVIXLAOO-XWTMOSNGSA-N 2 1 390.459 -0.254 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1c1ccccc1F ZINC000656104995 1072413848 /nfs/dbraw/zinc/41/38/48/1072413848.db2.gz XAHTYPDEQVFCPU-UICACZKSSA-N 2 1 376.432 -0.644 20 0 GBADMP O[C@@H]1C[C@H]2CN(c3ncc(Cl)c(N4CC[N@H+]5C[C@H](O)C[C@H]5C4)n3)CC[NH+]2C1 ZINC000656218662 1072461461 /nfs/dbraw/zinc/46/14/61/1072461461.db2.gz FODJATZJVBWVEY-BYNSBNAKSA-N 2 1 394.907 -0.360 20 0 GBADMP O[C@@H]1C[C@H]2CN(c3ncc(Cl)c(N4CC[N@@H+]5C[C@H](O)C[C@H]5C4)n3)CC[NH+]2C1 ZINC000656218662 1072461456 /nfs/dbraw/zinc/46/14/56/1072461456.db2.gz FODJATZJVBWVEY-BYNSBNAKSA-N 2 1 394.907 -0.360 20 0 GBADMP O[C@@H]1C[C@H]2CN(c3nc(N4CC[N@H+]5C[C@H](O)C[C@H]5C4)ncc3Cl)CC[NH+]2C1 ZINC000656218662 1072461455 /nfs/dbraw/zinc/46/14/55/1072461455.db2.gz FODJATZJVBWVEY-BYNSBNAKSA-N 2 1 394.907 -0.360 20 0 GBADMP Cc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1C ZINC000656218961 1072461700 /nfs/dbraw/zinc/46/17/00/1072461700.db2.gz HSKDAFDYFQWODR-WNRNVDISSA-N 2 1 388.516 -0.396 20 0 GBADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656284360 1072484167 /nfs/dbraw/zinc/48/41/67/1072484167.db2.gz PYLRVCKSOUONNT-ARFHVFGLSA-N 2 1 376.457 -0.190 20 0 GBADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656284360 1072484164 /nfs/dbraw/zinc/48/41/64/1072484164.db2.gz PYLRVCKSOUONNT-ARFHVFGLSA-N 2 1 376.457 -0.190 20 0 GBADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656284361 1072483823 /nfs/dbraw/zinc/48/38/23/1072483823.db2.gz PYLRVCKSOUONNT-XHSDSOJGSA-N 2 1 376.457 -0.190 20 0 GBADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656284361 1072483818 /nfs/dbraw/zinc/48/38/18/1072483818.db2.gz PYLRVCKSOUONNT-XHSDSOJGSA-N 2 1 376.457 -0.190 20 0 GBADMP COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[NH+](C)C)c1 ZINC000656287343 1072488206 /nfs/dbraw/zinc/48/82/06/1072488206.db2.gz WAKBYTHFDZNUTQ-JZXOWHBKSA-N 2 1 390.484 -0.309 20 0 GBADMP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[NH+](C)C)c1 ZINC000656287345 1072488471 /nfs/dbraw/zinc/48/84/71/1072488471.db2.gz WAKBYTHFDZNUTQ-LZLYRXPVSA-N 2 1 390.484 -0.309 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656290641 1072491242 /nfs/dbraw/zinc/49/12/42/1072491242.db2.gz AWPLDICILPRXBM-CVEARBPZSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656290641 1072491237 /nfs/dbraw/zinc/49/12/37/1072491237.db2.gz AWPLDICILPRXBM-CVEARBPZSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656290642 1072491109 /nfs/dbraw/zinc/49/11/09/1072491109.db2.gz AWPLDICILPRXBM-HOTGVXAUSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656290642 1072491103 /nfs/dbraw/zinc/49/11/03/1072491103.db2.gz AWPLDICILPRXBM-HOTGVXAUSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656290643 1072491128 /nfs/dbraw/zinc/49/11/28/1072491128.db2.gz AWPLDICILPRXBM-HZPDHXFCSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656290643 1072491125 /nfs/dbraw/zinc/49/11/25/1072491125.db2.gz AWPLDICILPRXBM-HZPDHXFCSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656290644 1072491328 /nfs/dbraw/zinc/49/13/28/1072491328.db2.gz AWPLDICILPRXBM-JKSUJKDBSA-N 2 1 379.505 -0.600 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656290644 1072491322 /nfs/dbraw/zinc/49/13/22/1072491322.db2.gz AWPLDICILPRXBM-JKSUJKDBSA-N 2 1 379.505 -0.600 20 0 GBADMP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656291738 1072492016 /nfs/dbraw/zinc/49/20/16/1072492016.db2.gz MFOUVPZGJIOGQE-ZWKOTPCHSA-N 2 1 387.484 -0.560 20 0 GBADMP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656292464 1072494411 /nfs/dbraw/zinc/49/44/11/1072494411.db2.gz CGSJWGOWCDTGHR-ZWKOTPCHSA-N 2 1 387.484 -0.560 20 0 GBADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656292885 1072494271 /nfs/dbraw/zinc/49/42/71/1072494271.db2.gz HAHATZNGITXLJW-DLBZAZTESA-N 2 1 390.484 -0.479 20 0 GBADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000656294229 1072494365 /nfs/dbraw/zinc/49/43/65/1072494365.db2.gz SCHQNWBKIFLOML-DLBZAZTESA-N 2 1 390.484 -0.479 20 0 GBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295194 1072493181 /nfs/dbraw/zinc/49/31/81/1072493181.db2.gz GIHJCHPGUKZAAP-BBWFWOEESA-N 2 1 378.448 -0.178 20 0 GBADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295195 1072493094 /nfs/dbraw/zinc/49/30/94/1072493094.db2.gz GIHJCHPGUKZAAP-GVDBMIGSSA-N 2 1 378.448 -0.178 20 0 GBADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656295520 1072495455 /nfs/dbraw/zinc/49/54/55/1072495455.db2.gz JYZYRNPXEJGXTQ-RBUKOAKNSA-N 2 1 386.496 -0.172 20 0 GBADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656295520 1072495445 /nfs/dbraw/zinc/49/54/45/1072495445.db2.gz JYZYRNPXEJGXTQ-RBUKOAKNSA-N 2 1 386.496 -0.172 20 0 GBADMP O=C(NCCC[NH+]1CCc2ccccc2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656295520 1072495441 /nfs/dbraw/zinc/49/54/41/1072495441.db2.gz JYZYRNPXEJGXTQ-RBUKOAKNSA-N 2 1 386.496 -0.172 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296208 1072494314 /nfs/dbraw/zinc/49/43/14/1072494314.db2.gz HCSKEQQDRMWVNG-CVEARBPZSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656296208 1072494311 /nfs/dbraw/zinc/49/43/11/1072494311.db2.gz HCSKEQQDRMWVNG-CVEARBPZSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296209 1072493973 /nfs/dbraw/zinc/49/39/73/1072493973.db2.gz HCSKEQQDRMWVNG-HOTGVXAUSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656296209 1072493963 /nfs/dbraw/zinc/49/39/63/1072493963.db2.gz HCSKEQQDRMWVNG-HOTGVXAUSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296210 1072493791 /nfs/dbraw/zinc/49/37/91/1072493791.db2.gz HCSKEQQDRMWVNG-HZPDHXFCSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656296210 1072493789 /nfs/dbraw/zinc/49/37/89/1072493789.db2.gz HCSKEQQDRMWVNG-HZPDHXFCSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296211 1072494301 /nfs/dbraw/zinc/49/43/01/1072494301.db2.gz HCSKEQQDRMWVNG-JKSUJKDBSA-N 2 1 379.505 -0.554 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656296211 1072494299 /nfs/dbraw/zinc/49/42/99/1072494299.db2.gz HCSKEQQDRMWVNG-JKSUJKDBSA-N 2 1 379.505 -0.554 20 0 GBADMP O=C(NCCN1CCc2sccc2C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656302405 1072499521 /nfs/dbraw/zinc/49/95/21/1072499521.db2.gz STGVZVLKENNRST-LSDHHAIUSA-N 2 1 378.498 -0.500 20 0 GBADMP O=C(NCCN1CCc2sccc2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302405 1072499516 /nfs/dbraw/zinc/49/95/16/1072499516.db2.gz STGVZVLKENNRST-LSDHHAIUSA-N 2 1 378.498 -0.500 20 0 GBADMP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656304942 1072501027 /nfs/dbraw/zinc/50/10/27/1072501027.db2.gz LCRZIMPMMDVEDC-DLBZAZTESA-N 2 1 390.484 -0.479 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000656306079 1072501208 /nfs/dbraw/zinc/50/12/08/1072501208.db2.gz HGZDIWMECJETEM-ZYSHUDEJSA-N 2 1 386.496 -0.173 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000656306079 1072501200 /nfs/dbraw/zinc/50/12/00/1072501200.db2.gz HGZDIWMECJETEM-ZYSHUDEJSA-N 2 1 386.496 -0.173 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000656306079 1072501190 /nfs/dbraw/zinc/50/11/90/1072501190.db2.gz HGZDIWMECJETEM-ZYSHUDEJSA-N 2 1 386.496 -0.173 20 0 GBADMP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000656306079 1072501182 /nfs/dbraw/zinc/50/11/82/1072501182.db2.gz HGZDIWMECJETEM-ZYSHUDEJSA-N 2 1 386.496 -0.173 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656307560 1072502386 /nfs/dbraw/zinc/50/23/86/1072502386.db2.gz QTDZVIFJTUFGFL-BRWVUGGUSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656307560 1072502374 /nfs/dbraw/zinc/50/23/74/1072502374.db2.gz QTDZVIFJTUFGFL-BRWVUGGUSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656307560 1072502361 /nfs/dbraw/zinc/50/23/61/1072502361.db2.gz QTDZVIFJTUFGFL-BRWVUGGUSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656307562 1072501985 /nfs/dbraw/zinc/50/19/85/1072501985.db2.gz QTDZVIFJTUFGFL-IKGGRYGDSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656307562 1072501974 /nfs/dbraw/zinc/50/19/74/1072501974.db2.gz QTDZVIFJTUFGFL-IKGGRYGDSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656307562 1072501964 /nfs/dbraw/zinc/50/19/64/1072501964.db2.gz QTDZVIFJTUFGFL-IKGGRYGDSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656307564 1072502520 /nfs/dbraw/zinc/50/25/20/1072502520.db2.gz QTDZVIFJTUFGFL-IXDOHACOSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656307564 1072502513 /nfs/dbraw/zinc/50/25/13/1072502513.db2.gz QTDZVIFJTUFGFL-IXDOHACOSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656307564 1072502501 /nfs/dbraw/zinc/50/25/01/1072502501.db2.gz QTDZVIFJTUFGFL-IXDOHACOSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656307566 1072502696 /nfs/dbraw/zinc/50/26/96/1072502696.db2.gz QTDZVIFJTUFGFL-ZACQAIPSSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656307566 1072502692 /nfs/dbraw/zinc/50/26/92/1072502692.db2.gz QTDZVIFJTUFGFL-ZACQAIPSSA-N 2 1 393.532 -0.177 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656307566 1072502686 /nfs/dbraw/zinc/50/26/86/1072502686.db2.gz QTDZVIFJTUFGFL-ZACQAIPSSA-N 2 1 393.532 -0.177 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308353 1072503236 /nfs/dbraw/zinc/50/32/36/1072503236.db2.gz COXGFGGCSZUPCL-OWCLPIDISA-N 2 1 381.521 -0.498 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308354 1072503981 /nfs/dbraw/zinc/50/39/81/1072503981.db2.gz COXGFGGCSZUPCL-XHSDSOJGSA-N 2 1 381.521 -0.498 20 0 GBADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309747 1072503196 /nfs/dbraw/zinc/50/31/96/1072503196.db2.gz UMGHPFWDNVHPBN-CEXWTWQISA-N 2 1 386.496 -0.098 20 0 GBADMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309747 1072503192 /nfs/dbraw/zinc/50/31/92/1072503192.db2.gz UMGHPFWDNVHPBN-CEXWTWQISA-N 2 1 386.496 -0.098 20 0 GBADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309747 1072503183 /nfs/dbraw/zinc/50/31/83/1072503183.db2.gz UMGHPFWDNVHPBN-CEXWTWQISA-N 2 1 386.496 -0.098 20 0 GBADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309748 1072503149 /nfs/dbraw/zinc/50/31/49/1072503149.db2.gz UMGHPFWDNVHPBN-GBESFXJTSA-N 2 1 386.496 -0.098 20 0 GBADMP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309748 1072503139 /nfs/dbraw/zinc/50/31/39/1072503139.db2.gz UMGHPFWDNVHPBN-GBESFXJTSA-N 2 1 386.496 -0.098 20 0 GBADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309748 1072503132 /nfs/dbraw/zinc/50/31/32/1072503132.db2.gz UMGHPFWDNVHPBN-GBESFXJTSA-N 2 1 386.496 -0.098 20 0 GBADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656310576 1072504590 /nfs/dbraw/zinc/50/45/90/1072504590.db2.gz ACAZVSVEVARLCH-JKSUJKDBSA-N 2 1 380.489 -0.975 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656312593 1072507292 /nfs/dbraw/zinc/50/72/92/1072507292.db2.gz OJFZZAQPAYLOGW-DLBZAZTESA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656312593 1072507287 /nfs/dbraw/zinc/50/72/87/1072507287.db2.gz OJFZZAQPAYLOGW-DLBZAZTESA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656312597 1072506553 /nfs/dbraw/zinc/50/65/53/1072506553.db2.gz OJFZZAQPAYLOGW-IAGOWNOFSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656312597 1072506537 /nfs/dbraw/zinc/50/65/37/1072506537.db2.gz OJFZZAQPAYLOGW-IAGOWNOFSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656312599 1072507154 /nfs/dbraw/zinc/50/71/54/1072507154.db2.gz OJFZZAQPAYLOGW-IRXDYDNUSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656312599 1072507144 /nfs/dbraw/zinc/50/71/44/1072507144.db2.gz OJFZZAQPAYLOGW-IRXDYDNUSA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656312601 1072506811 /nfs/dbraw/zinc/50/68/11/1072506811.db2.gz OJFZZAQPAYLOGW-SJORKVTESA-N 2 1 393.532 -0.212 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656312601 1072506805 /nfs/dbraw/zinc/50/68/05/1072506805.db2.gz OJFZZAQPAYLOGW-SJORKVTESA-N 2 1 393.532 -0.212 20 0 GBADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656313319 1072507075 /nfs/dbraw/zinc/50/70/75/1072507075.db2.gz VTFVGFJIDSDIMH-LSDHHAIUSA-N 2 1 382.505 -0.731 20 0 GBADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656315543 1072508704 /nfs/dbraw/zinc/50/87/04/1072508704.db2.gz KZKKTNGPPNEXCA-FJIDUMEYSA-N 2 1 396.532 -0.483 20 0 GBADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656315543 1072508694 /nfs/dbraw/zinc/50/86/94/1072508694.db2.gz KZKKTNGPPNEXCA-FJIDUMEYSA-N 2 1 396.532 -0.483 20 0 GBADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656315543 1072508678 /nfs/dbraw/zinc/50/86/78/1072508678.db2.gz KZKKTNGPPNEXCA-FJIDUMEYSA-N 2 1 396.532 -0.483 20 0 GBADMP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1F ZINC000656316755 1072509071 /nfs/dbraw/zinc/50/90/71/1072509071.db2.gz ULJPKLSILIQJTJ-JKSUJKDBSA-N 2 1 378.448 -0.219 20 0 GBADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)Cc2ccccc2C1 ZINC000656319273 1072510724 /nfs/dbraw/zinc/51/07/24/1072510724.db2.gz RAKDAXUZYHFZBZ-ZWKOTPCHSA-N 2 1 386.496 -0.521 20 0 GBADMP Cc1ccc(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(N2CCCC2)n1 ZINC000656322052 1072511867 /nfs/dbraw/zinc/51/18/67/1072511867.db2.gz JAEMVORSJDCBMF-DLBZAZTESA-N 2 1 387.484 -0.116 20 0 GBADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322694 1072513230 /nfs/dbraw/zinc/51/32/30/1072513230.db2.gz VXASPEKSRXNRKR-GDAAHCPNSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322694 1072513222 /nfs/dbraw/zinc/51/32/22/1072513222.db2.gz VXASPEKSRXNRKR-GDAAHCPNSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322694 1072513210 /nfs/dbraw/zinc/51/32/10/1072513210.db2.gz VXASPEKSRXNRKR-GDAAHCPNSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322695 1072513339 /nfs/dbraw/zinc/51/33/39/1072513339.db2.gz VXASPEKSRXNRKR-KANFNMMFSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322695 1072513326 /nfs/dbraw/zinc/51/33/26/1072513326.db2.gz VXASPEKSRXNRKR-KANFNMMFSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322695 1072513313 /nfs/dbraw/zinc/51/33/13/1072513313.db2.gz VXASPEKSRXNRKR-KANFNMMFSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322696 1072513749 /nfs/dbraw/zinc/51/37/49/1072513749.db2.gz VXASPEKSRXNRKR-LULLPPNCSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322696 1072513742 /nfs/dbraw/zinc/51/37/42/1072513742.db2.gz VXASPEKSRXNRKR-LULLPPNCSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322696 1072513734 /nfs/dbraw/zinc/51/37/34/1072513734.db2.gz VXASPEKSRXNRKR-LULLPPNCSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322697 1072513588 /nfs/dbraw/zinc/51/35/88/1072513588.db2.gz VXASPEKSRXNRKR-QXCFHYIPSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322697 1072513578 /nfs/dbraw/zinc/51/35/78/1072513578.db2.gz VXASPEKSRXNRKR-QXCFHYIPSA-N 2 1 386.496 -0.100 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322697 1072513569 /nfs/dbraw/zinc/51/35/69/1072513569.db2.gz VXASPEKSRXNRKR-QXCFHYIPSA-N 2 1 386.496 -0.100 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328294 1072516911 /nfs/dbraw/zinc/51/69/11/1072516911.db2.gz RHYBYTAKQAXDTI-BSDSXHPESA-N 2 1 394.516 -0.852 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328297 1072516396 /nfs/dbraw/zinc/51/63/96/1072516396.db2.gz RHYBYTAKQAXDTI-MHORFTMASA-N 2 1 394.516 -0.852 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328298 1072516799 /nfs/dbraw/zinc/51/67/99/1072516799.db2.gz RHYBYTAKQAXDTI-MLHJIOFPSA-N 2 1 394.516 -0.852 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328300 1072516718 /nfs/dbraw/zinc/51/67/18/1072516718.db2.gz RHYBYTAKQAXDTI-XWTMOSNGSA-N 2 1 394.516 -0.852 20 0 GBADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656328867 1072516769 /nfs/dbraw/zinc/51/67/69/1072516769.db2.gz FHTTXOQZZXXYLR-DLBZAZTESA-N 2 1 382.505 -0.731 20 0 GBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)CCC(F)(F)F ZINC000656332689 1072518225 /nfs/dbraw/zinc/51/82/25/1072518225.db2.gz ZZXPWJURJSFASE-QWHCGFSZSA-N 2 1 380.411 -0.346 20 0 GBADMP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CCC(F)(F)F ZINC000656332689 1072518217 /nfs/dbraw/zinc/51/82/17/1072518217.db2.gz ZZXPWJURJSFASE-QWHCGFSZSA-N 2 1 380.411 -0.346 20 0 GBADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)CCC(F)(F)F ZINC000656332689 1072518206 /nfs/dbraw/zinc/51/82/06/1072518206.db2.gz ZZXPWJURJSFASE-QWHCGFSZSA-N 2 1 380.411 -0.346 20 0 GBADMP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)CCC(F)(F)F ZINC000656332689 1072518204 /nfs/dbraw/zinc/51/82/04/1072518204.db2.gz ZZXPWJURJSFASE-QWHCGFSZSA-N 2 1 380.411 -0.346 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000656356851 1072527345 /nfs/dbraw/zinc/52/73/45/1072527345.db2.gz HJLUANUXFSUMGG-CVEARBPZSA-N 2 1 379.505 -0.648 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000656356852 1072527869 /nfs/dbraw/zinc/52/78/69/1072527869.db2.gz HJLUANUXFSUMGG-HOTGVXAUSA-N 2 1 379.505 -0.648 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000656356853 1072527197 /nfs/dbraw/zinc/52/71/97/1072527197.db2.gz HJLUANUXFSUMGG-HZPDHXFCSA-N 2 1 379.505 -0.648 20 0 GBADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000656356854 1072527217 /nfs/dbraw/zinc/52/72/17/1072527217.db2.gz HJLUANUXFSUMGG-JKSUJKDBSA-N 2 1 379.505 -0.648 20 0 GBADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1=O ZINC000656479589 1072567206 /nfs/dbraw/zinc/56/72/06/1072567206.db2.gz VCRITWZKAOFEEO-BBWFWOEESA-N 2 1 398.463 -0.208 20 0 GBADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1=O ZINC000656479590 1072567119 /nfs/dbraw/zinc/56/71/19/1072567119.db2.gz VCRITWZKAOFEEO-IXDOHACOSA-N 2 1 398.463 -0.208 20 0 GBADMP CN(CC1C[NH+](C)C1)C(=O)c1cc(S(=O)(=O)N(C)CC2C[NH+](C)C2)c[nH]1 ZINC000657124971 1072246210 /nfs/dbraw/zinc/24/62/10/1072246210.db2.gz WSDMVDNPFWSYBY-UHFFFAOYSA-N 2 1 383.518 -0.170 20 0 GBADMP CC1(C)CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1CCO ZINC000657870140 1072568804 /nfs/dbraw/zinc/56/88/04/1072568804.db2.gz CAVKLJDNZVRPAQ-UHFFFAOYSA-N 2 1 375.473 -0.355 20 0 GBADMP CC1(C)CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1CCO ZINC000657870140 1072568793 /nfs/dbraw/zinc/56/87/93/1072568793.db2.gz CAVKLJDNZVRPAQ-UHFFFAOYSA-N 2 1 375.473 -0.355 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870569 1072568977 /nfs/dbraw/zinc/56/89/77/1072568977.db2.gz LLJHHNMQZPAWGK-KRWDZBQOSA-N 2 1 387.484 -0.089 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870571 1072568706 /nfs/dbraw/zinc/56/87/06/1072568706.db2.gz LLJHHNMQZPAWGK-QGZVFWFLSA-N 2 1 387.484 -0.089 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000657870927 1072571108 /nfs/dbraw/zinc/57/11/08/1072571108.db2.gz TWNXJWHCWCZQRQ-IYBDPMFKSA-N 2 1 375.473 -0.356 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[N@H+]1CCO ZINC000657870927 1072571096 /nfs/dbraw/zinc/57/10/96/1072571096.db2.gz TWNXJWHCWCZQRQ-IYBDPMFKSA-N 2 1 375.473 -0.356 20 0 GBADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657874173 1072573092 /nfs/dbraw/zinc/57/30/92/1072573092.db2.gz PXXRFURZWLMSMO-UHFFFAOYSA-N 2 1 375.473 -0.355 20 0 GBADMP CCN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000658359175 1072668349 /nfs/dbraw/zinc/66/83/49/1072668349.db2.gz AUYLWWDVPSEQKR-HNNXBMFYSA-N 2 1 393.492 -0.948 20 0 GBADMP CCN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658359176 1072668710 /nfs/dbraw/zinc/66/87/10/1072668710.db2.gz AUYLWWDVPSEQKR-OAHLLOKOSA-N 2 1 393.492 -0.948 20 0 GBADMP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658442044 1072679495 /nfs/dbraw/zinc/67/94/95/1072679495.db2.gz NUCMYBUJTUWUSS-GOSISDBHSA-N 2 1 387.484 -0.212 20 0 GBADMP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658442046 1072679238 /nfs/dbraw/zinc/67/92/38/1072679238.db2.gz NUCMYBUJTUWUSS-SFHVURJKSA-N 2 1 387.484 -0.212 20 0 GBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658522129 1072698548 /nfs/dbraw/zinc/69/85/48/1072698548.db2.gz MDGKKVPGRICARI-MSOLQXFVSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658522130 1072698524 /nfs/dbraw/zinc/69/85/24/1072698524.db2.gz MDGKKVPGRICARI-QZTJIDSGSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658522132 1072698045 /nfs/dbraw/zinc/69/80/45/1072698045.db2.gz MDGKKVPGRICARI-ROUUACIJSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658522135 1072698383 /nfs/dbraw/zinc/69/83/83/1072698383.db2.gz MDGKKVPGRICARI-ZWKOTPCHSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCO1 ZINC000658530144 1072697355 /nfs/dbraw/zinc/69/73/55/1072697355.db2.gz YRAOESSORUPTPP-INIZCTEOSA-N 2 1 384.521 -0.529 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658534401 1072698473 /nfs/dbraw/zinc/69/84/73/1072698473.db2.gz BCSCDUOQNLMODH-INIZCTEOSA-N 2 1 395.548 -0.012 20 0 GBADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658534402 1072698135 /nfs/dbraw/zinc/69/81/35/1072698135.db2.gz BCSCDUOQNLMODH-MRXNPFEDSA-N 2 1 395.548 -0.012 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658535756 1072703319 /nfs/dbraw/zinc/70/33/19/1072703319.db2.gz JRLDNIBOPGGJKX-INIZCTEOSA-N 2 1 393.532 -0.258 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658535757 1072703684 /nfs/dbraw/zinc/70/36/84/1072703684.db2.gz JRLDNIBOPGGJKX-MRXNPFEDSA-N 2 1 393.532 -0.258 20 0 GBADMP CN(C[C@@H]1COCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000658539558 1072700484 /nfs/dbraw/zinc/70/04/84/1072700484.db2.gz BTYVPYNBUZMDLU-DLBZAZTESA-N 2 1 382.505 -0.513 20 0 GBADMP CN(C[C@@H]1COCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000658539558 1072700477 /nfs/dbraw/zinc/70/04/77/1072700477.db2.gz BTYVPYNBUZMDLU-DLBZAZTESA-N 2 1 382.505 -0.513 20 0 GBADMP CN(C[C@@H]1COCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000658539559 1072700836 /nfs/dbraw/zinc/70/08/36/1072700836.db2.gz BTYVPYNBUZMDLU-IAGOWNOFSA-N 2 1 382.505 -0.513 20 0 GBADMP CN(C[C@@H]1COCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000658539559 1072700830 /nfs/dbraw/zinc/70/08/30/1072700830.db2.gz BTYVPYNBUZMDLU-IAGOWNOFSA-N 2 1 382.505 -0.513 20 0 GBADMP CN(C[C@H]1COCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000658539560 1072700604 /nfs/dbraw/zinc/70/06/04/1072700604.db2.gz BTYVPYNBUZMDLU-IRXDYDNUSA-N 2 1 382.505 -0.513 20 0 GBADMP CN(C[C@H]1COCCO1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000658539560 1072700598 /nfs/dbraw/zinc/70/05/98/1072700598.db2.gz BTYVPYNBUZMDLU-IRXDYDNUSA-N 2 1 382.505 -0.513 20 0 GBADMP CN(C[C@H]1COCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000658539561 1072700807 /nfs/dbraw/zinc/70/08/07/1072700807.db2.gz BTYVPYNBUZMDLU-SJORKVTESA-N 2 1 382.505 -0.513 20 0 GBADMP CN(C[C@H]1COCCO1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000658539561 1072700800 /nfs/dbraw/zinc/70/08/00/1072700800.db2.gz BTYVPYNBUZMDLU-SJORKVTESA-N 2 1 382.505 -0.513 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000658540338 1072701093 /nfs/dbraw/zinc/70/10/93/1072701093.db2.gz VXEOQAJGVJEMEE-BPQIPLTHSA-N 2 1 396.532 -0.219 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000658540338 1072701086 /nfs/dbraw/zinc/70/10/86/1072701086.db2.gz VXEOQAJGVJEMEE-BPQIPLTHSA-N 2 1 396.532 -0.219 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000658540341 1072701049 /nfs/dbraw/zinc/70/10/49/1072701049.db2.gz VXEOQAJGVJEMEE-CGTJXYLNSA-N 2 1 396.532 -0.219 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000658540341 1072701043 /nfs/dbraw/zinc/70/10/43/1072701043.db2.gz VXEOQAJGVJEMEE-CGTJXYLNSA-N 2 1 396.532 -0.219 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000658540342 1072700767 /nfs/dbraw/zinc/70/07/67/1072700767.db2.gz VXEOQAJGVJEMEE-KBAYOESNSA-N 2 1 396.532 -0.219 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000658540342 1072700762 /nfs/dbraw/zinc/70/07/62/1072700762.db2.gz VXEOQAJGVJEMEE-KBAYOESNSA-N 2 1 396.532 -0.219 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000658540424 1072700651 /nfs/dbraw/zinc/70/06/51/1072700651.db2.gz VXEOQAJGVJEMEE-RYQLBKOJSA-N 2 1 396.532 -0.219 20 0 GBADMP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000658540424 1072700646 /nfs/dbraw/zinc/70/06/46/1072700646.db2.gz VXEOQAJGVJEMEE-RYQLBKOJSA-N 2 1 396.532 -0.219 20 0 GBADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658541182 1072701683 /nfs/dbraw/zinc/70/16/83/1072701683.db2.gz BUPCDZFMNVSAMD-GOSISDBHSA-N 2 1 398.548 -0.139 20 0 GBADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658541183 1072701717 /nfs/dbraw/zinc/70/17/17/1072701717.db2.gz BUPCDZFMNVSAMD-SFHVURJKSA-N 2 1 398.548 -0.139 20 0 GBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658569810 1072712097 /nfs/dbraw/zinc/71/20/97/1072712097.db2.gz DNGIZOFMXHRGIG-GOSISDBHSA-N 2 1 397.564 -0.349 20 0 GBADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658569811 1072712610 /nfs/dbraw/zinc/71/26/10/1072712610.db2.gz DNGIZOFMXHRGIG-SFHVURJKSA-N 2 1 397.564 -0.349 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000658570873 1072713117 /nfs/dbraw/zinc/71/31/17/1072713117.db2.gz RPOXVCKZZJFUDX-UHFFFAOYSA-N 2 1 387.444 -0.316 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCO1 ZINC000658576980 1072714424 /nfs/dbraw/zinc/71/44/24/1072714424.db2.gz LEHFHNUBCSYQMF-GOSISDBHSA-N 2 1 398.548 -0.139 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCO1 ZINC000658576985 1072714160 /nfs/dbraw/zinc/71/41/60/1072714160.db2.gz LEHFHNUBCSYQMF-SFHVURJKSA-N 2 1 398.548 -0.139 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000658607169 1072746196 /nfs/dbraw/zinc/74/61/96/1072746196.db2.gz LDODYNKPTOOHBL-GOSISDBHSA-N 2 1 396.532 -0.121 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000658607171 1072746572 /nfs/dbraw/zinc/74/65/72/1072746572.db2.gz LDODYNKPTOOHBL-SFHVURJKSA-N 2 1 396.532 -0.121 20 0 GBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000658611828 1072751091 /nfs/dbraw/zinc/75/10/91/1072751091.db2.gz JGTBEGUMLLILJT-AEFFLSMTSA-N 2 1 378.517 -0.012 20 0 GBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658611830 1072751301 /nfs/dbraw/zinc/75/13/01/1072751301.db2.gz JGTBEGUMLLILJT-FUHWJXTLSA-N 2 1 378.517 -0.012 20 0 GBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000658611833 1072751331 /nfs/dbraw/zinc/75/13/31/1072751331.db2.gz JGTBEGUMLLILJT-SJLPKXTDSA-N 2 1 378.517 -0.012 20 0 GBADMP O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658611838 1072751193 /nfs/dbraw/zinc/75/11/93/1072751193.db2.gz JGTBEGUMLLILJT-WMZOPIPTSA-N 2 1 378.517 -0.012 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000658625317 1072756141 /nfs/dbraw/zinc/75/61/41/1072756141.db2.gz JLNPOKWOCCRCPN-GOSISDBHSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000658625317 1072756129 /nfs/dbraw/zinc/75/61/29/1072756129.db2.gz JLNPOKWOCCRCPN-GOSISDBHSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000658625318 1072756383 /nfs/dbraw/zinc/75/63/83/1072756383.db2.gz JLNPOKWOCCRCPN-SFHVURJKSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000658625318 1072756376 /nfs/dbraw/zinc/75/63/76/1072756376.db2.gz JLNPOKWOCCRCPN-SFHVURJKSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000658625329 1072756239 /nfs/dbraw/zinc/75/62/39/1072756239.db2.gz MCUFTTZWPQBAEC-KRWDZBQOSA-N 2 1 391.516 -0.694 20 0 GBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000658625329 1072756227 /nfs/dbraw/zinc/75/62/27/1072756227.db2.gz MCUFTTZWPQBAEC-KRWDZBQOSA-N 2 1 391.516 -0.694 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000658625330 1072756304 /nfs/dbraw/zinc/75/63/04/1072756304.db2.gz MCUFTTZWPQBAEC-QGZVFWFLSA-N 2 1 391.516 -0.694 20 0 GBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000658625330 1072756293 /nfs/dbraw/zinc/75/62/93/1072756293.db2.gz MCUFTTZWPQBAEC-QGZVFWFLSA-N 2 1 391.516 -0.694 20 0 GBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658643634 1072764445 /nfs/dbraw/zinc/76/44/45/1072764445.db2.gz JWYRHYDIOUPRKL-BPQIPLTHSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658643634 1072764433 /nfs/dbraw/zinc/76/44/33/1072764433.db2.gz JWYRHYDIOUPRKL-BPQIPLTHSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658643634 1072764422 /nfs/dbraw/zinc/76/44/22/1072764422.db2.gz JWYRHYDIOUPRKL-BPQIPLTHSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643636 1072764781 /nfs/dbraw/zinc/76/47/81/1072764781.db2.gz JWYRHYDIOUPRKL-CGTJXYLNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643636 1072764774 /nfs/dbraw/zinc/76/47/74/1072764774.db2.gz JWYRHYDIOUPRKL-CGTJXYLNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643636 1072764764 /nfs/dbraw/zinc/76/47/64/1072764764.db2.gz JWYRHYDIOUPRKL-CGTJXYLNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643639 1072764631 /nfs/dbraw/zinc/76/46/31/1072764631.db2.gz JWYRHYDIOUPRKL-KBAYOESNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643639 1072764626 /nfs/dbraw/zinc/76/46/26/1072764626.db2.gz JWYRHYDIOUPRKL-KBAYOESNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643639 1072764618 /nfs/dbraw/zinc/76/46/18/1072764618.db2.gz JWYRHYDIOUPRKL-KBAYOESNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658643642 1072765068 /nfs/dbraw/zinc/76/50/68/1072765068.db2.gz JWYRHYDIOUPRKL-RYQLBKOJSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658643642 1072765055 /nfs/dbraw/zinc/76/50/55/1072765055.db2.gz JWYRHYDIOUPRKL-RYQLBKOJSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658643642 1072765043 /nfs/dbraw/zinc/76/50/43/1072765043.db2.gz JWYRHYDIOUPRKL-RYQLBKOJSA-N 2 1 378.517 -0.013 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000658665316 1072769268 /nfs/dbraw/zinc/76/92/68/1072769268.db2.gz DUZJWDPUVRATJC-DLBZAZTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000658665316 1072769258 /nfs/dbraw/zinc/76/92/58/1072769258.db2.gz DUZJWDPUVRATJC-DLBZAZTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000658665317 1072768889 /nfs/dbraw/zinc/76/88/89/1072768889.db2.gz DUZJWDPUVRATJC-IAGOWNOFSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000658665317 1072768885 /nfs/dbraw/zinc/76/88/85/1072768885.db2.gz DUZJWDPUVRATJC-IAGOWNOFSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000658665318 1072768921 /nfs/dbraw/zinc/76/89/21/1072768921.db2.gz DUZJWDPUVRATJC-IRXDYDNUSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000658665318 1072768912 /nfs/dbraw/zinc/76/89/12/1072768912.db2.gz DUZJWDPUVRATJC-IRXDYDNUSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000658665319 1072769629 /nfs/dbraw/zinc/76/96/29/1072769629.db2.gz DUZJWDPUVRATJC-SJORKVTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000658665319 1072769614 /nfs/dbraw/zinc/76/96/14/1072769614.db2.gz DUZJWDPUVRATJC-SJORKVTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671369 1072772395 /nfs/dbraw/zinc/77/23/95/1072772395.db2.gz VFYIHGWIHWXPSF-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671369 1072772387 /nfs/dbraw/zinc/77/23/87/1072772387.db2.gz VFYIHGWIHWXPSF-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000658671369 1072772380 /nfs/dbraw/zinc/77/23/80/1072772380.db2.gz VFYIHGWIHWXPSF-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000658671369 1072772375 /nfs/dbraw/zinc/77/23/75/1072772375.db2.gz VFYIHGWIHWXPSF-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671372 1072772529 /nfs/dbraw/zinc/77/25/29/1072772529.db2.gz VFYIHGWIHWXPSF-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671372 1072772524 /nfs/dbraw/zinc/77/25/24/1072772524.db2.gz VFYIHGWIHWXPSF-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000658671372 1072772513 /nfs/dbraw/zinc/77/25/13/1072772513.db2.gz VFYIHGWIHWXPSF-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000658671372 1072772507 /nfs/dbraw/zinc/77/25/07/1072772507.db2.gz VFYIHGWIHWXPSF-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671375 1072772457 /nfs/dbraw/zinc/77/24/57/1072772457.db2.gz VFYIHGWIHWXPSF-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671375 1072772449 /nfs/dbraw/zinc/77/24/49/1072772449.db2.gz VFYIHGWIHWXPSF-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000658671375 1072772444 /nfs/dbraw/zinc/77/24/44/1072772444.db2.gz VFYIHGWIHWXPSF-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000658671375 1072772437 /nfs/dbraw/zinc/77/24/37/1072772437.db2.gz VFYIHGWIHWXPSF-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671378 1072772088 /nfs/dbraw/zinc/77/20/88/1072772088.db2.gz VFYIHGWIHWXPSF-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC[NH+]1CC(C)(C)O ZINC000658671378 1072772074 /nfs/dbraw/zinc/77/20/74/1072772074.db2.gz VFYIHGWIHWXPSF-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000658671378 1072772063 /nfs/dbraw/zinc/77/20/63/1072772063.db2.gz VFYIHGWIHWXPSF-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000658671378 1072772056 /nfs/dbraw/zinc/77/20/56/1072772056.db2.gz VFYIHGWIHWXPSF-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000658674228 1072771302 /nfs/dbraw/zinc/77/13/02/1072771302.db2.gz KQYHSISWHZOVIP-JWTNVVGKSA-N 2 1 377.533 -0.224 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658674571 1072770588 /nfs/dbraw/zinc/77/05/88/1072770588.db2.gz AGLVSVBGTMOHJH-AEFFLSMTSA-N 2 1 394.516 -0.775 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658674571 1072770583 /nfs/dbraw/zinc/77/05/83/1072770583.db2.gz AGLVSVBGTMOHJH-AEFFLSMTSA-N 2 1 394.516 -0.775 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658674574 1072770427 /nfs/dbraw/zinc/77/04/27/1072770427.db2.gz AGLVSVBGTMOHJH-FUHWJXTLSA-N 2 1 394.516 -0.775 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658674574 1072770419 /nfs/dbraw/zinc/77/04/19/1072770419.db2.gz AGLVSVBGTMOHJH-FUHWJXTLSA-N 2 1 394.516 -0.775 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658674577 1072770482 /nfs/dbraw/zinc/77/04/82/1072770482.db2.gz AGLVSVBGTMOHJH-SJLPKXTDSA-N 2 1 394.516 -0.775 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658674577 1072770475 /nfs/dbraw/zinc/77/04/75/1072770475.db2.gz AGLVSVBGTMOHJH-SJLPKXTDSA-N 2 1 394.516 -0.775 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658674582 1072771025 /nfs/dbraw/zinc/77/10/25/1072771025.db2.gz AGLVSVBGTMOHJH-WMZOPIPTSA-N 2 1 394.516 -0.775 20 0 GBADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658674582 1072771018 /nfs/dbraw/zinc/77/10/18/1072771018.db2.gz AGLVSVBGTMOHJH-WMZOPIPTSA-N 2 1 394.516 -0.775 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000658675498 1072772177 /nfs/dbraw/zinc/77/21/77/1072772177.db2.gz WOBDQFOYSXBPPG-MSOLQXFVSA-N 2 1 396.532 -0.264 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000658675499 1072772409 /nfs/dbraw/zinc/77/24/09/1072772409.db2.gz WOBDQFOYSXBPPG-QZTJIDSGSA-N 2 1 396.532 -0.264 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000658675500 1072772147 /nfs/dbraw/zinc/77/21/47/1072772147.db2.gz WOBDQFOYSXBPPG-ROUUACIJSA-N 2 1 396.532 -0.264 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000658675501 1072772569 /nfs/dbraw/zinc/77/25/69/1072772569.db2.gz WOBDQFOYSXBPPG-ZWKOTPCHSA-N 2 1 396.532 -0.264 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658676170 1072774229 /nfs/dbraw/zinc/77/42/29/1072774229.db2.gz CSDCCFVKNBYIGI-CVEARBPZSA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658676170 1072774221 /nfs/dbraw/zinc/77/42/21/1072774221.db2.gz CSDCCFVKNBYIGI-CVEARBPZSA-N 2 1 393.532 -0.260 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676170 1072774218 /nfs/dbraw/zinc/77/42/18/1072774218.db2.gz CSDCCFVKNBYIGI-CVEARBPZSA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658676249 1072774486 /nfs/dbraw/zinc/77/44/86/1072774486.db2.gz CSDCCFVKNBYIGI-HOTGVXAUSA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658676249 1072774479 /nfs/dbraw/zinc/77/44/79/1072774479.db2.gz CSDCCFVKNBYIGI-HOTGVXAUSA-N 2 1 393.532 -0.260 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676249 1072774473 /nfs/dbraw/zinc/77/44/73/1072774473.db2.gz CSDCCFVKNBYIGI-HOTGVXAUSA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658676251 1072774273 /nfs/dbraw/zinc/77/42/73/1072774273.db2.gz CSDCCFVKNBYIGI-HZPDHXFCSA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658676251 1072774268 /nfs/dbraw/zinc/77/42/68/1072774268.db2.gz CSDCCFVKNBYIGI-HZPDHXFCSA-N 2 1 393.532 -0.260 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676251 1072774262 /nfs/dbraw/zinc/77/42/62/1072774262.db2.gz CSDCCFVKNBYIGI-HZPDHXFCSA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658676253 1072774407 /nfs/dbraw/zinc/77/44/07/1072774407.db2.gz CSDCCFVKNBYIGI-JKSUJKDBSA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658676253 1072774400 /nfs/dbraw/zinc/77/44/00/1072774400.db2.gz CSDCCFVKNBYIGI-JKSUJKDBSA-N 2 1 393.532 -0.260 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676253 1072774395 /nfs/dbraw/zinc/77/43/95/1072774395.db2.gz CSDCCFVKNBYIGI-JKSUJKDBSA-N 2 1 393.532 -0.260 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658699331 1072780414 /nfs/dbraw/zinc/78/04/14/1072780414.db2.gz IZUHCNWVDFKCAZ-DLBZAZTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658699331 1072780411 /nfs/dbraw/zinc/78/04/11/1072780411.db2.gz IZUHCNWVDFKCAZ-DLBZAZTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658699334 1072780373 /nfs/dbraw/zinc/78/03/73/1072780373.db2.gz IZUHCNWVDFKCAZ-IAGOWNOFSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658699334 1072780365 /nfs/dbraw/zinc/78/03/65/1072780365.db2.gz IZUHCNWVDFKCAZ-IAGOWNOFSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658699337 1072780453 /nfs/dbraw/zinc/78/04/53/1072780453.db2.gz IZUHCNWVDFKCAZ-IRXDYDNUSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658699337 1072780450 /nfs/dbraw/zinc/78/04/50/1072780450.db2.gz IZUHCNWVDFKCAZ-IRXDYDNUSA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658699340 1072780342 /nfs/dbraw/zinc/78/03/42/1072780342.db2.gz IZUHCNWVDFKCAZ-SJORKVTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658699340 1072780336 /nfs/dbraw/zinc/78/03/36/1072780336.db2.gz IZUHCNWVDFKCAZ-SJORKVTESA-N 2 1 398.548 -0.141 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658702538 1072781704 /nfs/dbraw/zinc/78/17/04/1072781704.db2.gz WWKAYSKIKFLWHL-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658702538 1072781695 /nfs/dbraw/zinc/78/16/95/1072781695.db2.gz WWKAYSKIKFLWHL-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658702538 1072781692 /nfs/dbraw/zinc/78/16/92/1072781692.db2.gz WWKAYSKIKFLWHL-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658702538 1072781682 /nfs/dbraw/zinc/78/16/82/1072781682.db2.gz WWKAYSKIKFLWHL-DOTOQJQBSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658702540 1072781760 /nfs/dbraw/zinc/78/17/60/1072781760.db2.gz WWKAYSKIKFLWHL-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658702540 1072781753 /nfs/dbraw/zinc/78/17/53/1072781753.db2.gz WWKAYSKIKFLWHL-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658702540 1072781744 /nfs/dbraw/zinc/78/17/44/1072781744.db2.gz WWKAYSKIKFLWHL-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658702540 1072781738 /nfs/dbraw/zinc/78/17/38/1072781738.db2.gz WWKAYSKIKFLWHL-NVXWUHKLSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658702542 1072781843 /nfs/dbraw/zinc/78/18/43/1072781843.db2.gz WWKAYSKIKFLWHL-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658702542 1072781836 /nfs/dbraw/zinc/78/18/36/1072781836.db2.gz WWKAYSKIKFLWHL-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658702542 1072781829 /nfs/dbraw/zinc/78/18/29/1072781829.db2.gz WWKAYSKIKFLWHL-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658702542 1072781823 /nfs/dbraw/zinc/78/18/23/1072781823.db2.gz WWKAYSKIKFLWHL-RDJZCZTQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658702544 1072782201 /nfs/dbraw/zinc/78/22/01/1072782201.db2.gz WWKAYSKIKFLWHL-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658702544 1072782191 /nfs/dbraw/zinc/78/21/91/1072782191.db2.gz WWKAYSKIKFLWHL-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658702544 1072782186 /nfs/dbraw/zinc/78/21/86/1072782186.db2.gz WWKAYSKIKFLWHL-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658702544 1072782176 /nfs/dbraw/zinc/78/21/76/1072782176.db2.gz WWKAYSKIKFLWHL-WBVHZDCISA-N 2 1 396.532 -0.652 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)CC[C@H]21 ZINC000658706226 1072783056 /nfs/dbraw/zinc/78/30/56/1072783056.db2.gz SAEVNKIRUGVTAV-BPQIPLTHSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC[C@H]21 ZINC000658706226 1072783050 /nfs/dbraw/zinc/78/30/50/1072783050.db2.gz SAEVNKIRUGVTAV-BPQIPLTHSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)CC[C@H]21 ZINC000658706226 1072783043 /nfs/dbraw/zinc/78/30/43/1072783043.db2.gz SAEVNKIRUGVTAV-BPQIPLTHSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)CC[C@H]21 ZINC000658706227 1072783685 /nfs/dbraw/zinc/78/36/85/1072783685.db2.gz SAEVNKIRUGVTAV-KBAYOESNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC[C@H]21 ZINC000658706227 1072783678 /nfs/dbraw/zinc/78/36/78/1072783678.db2.gz SAEVNKIRUGVTAV-KBAYOESNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)CC[C@H]21 ZINC000658706227 1072783670 /nfs/dbraw/zinc/78/36/70/1072783670.db2.gz SAEVNKIRUGVTAV-KBAYOESNSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)CC[C@@H]21 ZINC000658706228 1072784185 /nfs/dbraw/zinc/78/41/85/1072784185.db2.gz SAEVNKIRUGVTAV-NJAFHUGGSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC[C@@H]21 ZINC000658706228 1072784180 /nfs/dbraw/zinc/78/41/80/1072784180.db2.gz SAEVNKIRUGVTAV-NJAFHUGGSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)CC[C@@H]21 ZINC000658706228 1072784174 /nfs/dbraw/zinc/78/41/74/1072784174.db2.gz SAEVNKIRUGVTAV-NJAFHUGGSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)CC[C@@H]21 ZINC000658706229 1072784057 /nfs/dbraw/zinc/78/40/57/1072784057.db2.gz SAEVNKIRUGVTAV-NXHRZFHOSA-N 2 1 378.517 -0.013 20 0 GBADMP C[NH+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC[C@@H]21 ZINC000658706229 1072784048 /nfs/dbraw/zinc/78/40/48/1072784048.db2.gz SAEVNKIRUGVTAV-NXHRZFHOSA-N 2 1 378.517 -0.013 20 0 GBADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)CC[C@@H]21 ZINC000658706229 1072784038 /nfs/dbraw/zinc/78/40/38/1072784038.db2.gz SAEVNKIRUGVTAV-NXHRZFHOSA-N 2 1 378.517 -0.013 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658757394 1072795011 /nfs/dbraw/zinc/79/50/11/1072795011.db2.gz JCRVFJYGYMOQNW-KRWDZBQOSA-N 2 1 396.532 -0.387 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658757394 1072795000 /nfs/dbraw/zinc/79/50/00/1072795000.db2.gz JCRVFJYGYMOQNW-KRWDZBQOSA-N 2 1 396.532 -0.387 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658757396 1072795209 /nfs/dbraw/zinc/79/52/09/1072795209.db2.gz JCRVFJYGYMOQNW-QGZVFWFLSA-N 2 1 396.532 -0.387 20 0 GBADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658757396 1072795202 /nfs/dbraw/zinc/79/52/02/1072795202.db2.gz JCRVFJYGYMOQNW-QGZVFWFLSA-N 2 1 396.532 -0.387 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000658779068 1072806067 /nfs/dbraw/zinc/80/60/67/1072806067.db2.gz NORWCBJZLXYNKW-AWEZNQCLSA-N 2 1 393.492 -0.900 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000658779072 1072806239 /nfs/dbraw/zinc/80/62/39/1072806239.db2.gz NORWCBJZLXYNKW-CQSZACIVSA-N 2 1 393.492 -0.900 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658803995 1072833926 /nfs/dbraw/zinc/83/39/26/1072833926.db2.gz UVAVBTHKNAEBSL-CVEARBPZSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658803995 1072833918 /nfs/dbraw/zinc/83/39/18/1072833918.db2.gz UVAVBTHKNAEBSL-CVEARBPZSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803995 1072833911 /nfs/dbraw/zinc/83/39/11/1072833911.db2.gz UVAVBTHKNAEBSL-CVEARBPZSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000658803996 1072832395 /nfs/dbraw/zinc/83/23/95/1072832395.db2.gz UVAVBTHKNAEBSL-HOTGVXAUSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000658803996 1072832377 /nfs/dbraw/zinc/83/23/77/1072832377.db2.gz UVAVBTHKNAEBSL-HOTGVXAUSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803996 1072832364 /nfs/dbraw/zinc/83/23/64/1072832364.db2.gz UVAVBTHKNAEBSL-HOTGVXAUSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658803997 1072833631 /nfs/dbraw/zinc/83/36/31/1072833631.db2.gz UVAVBTHKNAEBSL-HZPDHXFCSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CC[NH+](C)C1 ZINC000658803997 1072833617 /nfs/dbraw/zinc/83/36/17/1072833617.db2.gz UVAVBTHKNAEBSL-HZPDHXFCSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803997 1072833607 /nfs/dbraw/zinc/83/36/07/1072833607.db2.gz UVAVBTHKNAEBSL-HZPDHXFCSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000658803998 1072833285 /nfs/dbraw/zinc/83/32/85/1072833285.db2.gz UVAVBTHKNAEBSL-JKSUJKDBSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH+](C)C1 ZINC000658803998 1072833274 /nfs/dbraw/zinc/83/32/74/1072833274.db2.gz UVAVBTHKNAEBSL-JKSUJKDBSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803998 1072833261 /nfs/dbraw/zinc/83/32/61/1072833261.db2.gz UVAVBTHKNAEBSL-JKSUJKDBSA-N 2 1 379.505 -0.696 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658806019 1072838251 /nfs/dbraw/zinc/83/82/51/1072838251.db2.gz DAXZNCZBBCAFCA-INIZCTEOSA-N 2 1 381.521 -0.448 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658806020 1072838616 /nfs/dbraw/zinc/83/86/16/1072838616.db2.gz DAXZNCZBBCAFCA-MRXNPFEDSA-N 2 1 381.521 -0.448 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658808162 1072839763 /nfs/dbraw/zinc/83/97/63/1072839763.db2.gz UTPGOUFPDDWAGX-INIZCTEOSA-N 2 1 379.505 -0.694 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658808164 1072839727 /nfs/dbraw/zinc/83/97/27/1072839727.db2.gz UTPGOUFPDDWAGX-MRXNPFEDSA-N 2 1 379.505 -0.694 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658825199 1072863790 /nfs/dbraw/zinc/86/37/90/1072863790.db2.gz JTPBBUAMVILTTM-KRWDZBQOSA-N 2 1 393.532 -0.304 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658825200 1072863557 /nfs/dbraw/zinc/86/35/57/1072863557.db2.gz JTPBBUAMVILTTM-QGZVFWFLSA-N 2 1 393.532 -0.304 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658826804 1072867187 /nfs/dbraw/zinc/86/71/87/1072867187.db2.gz SLGKZGBQVUHUHN-KRWDZBQOSA-N 2 1 395.548 -0.058 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658826806 1072867790 /nfs/dbraw/zinc/86/77/90/1072867790.db2.gz SLGKZGBQVUHUHN-QGZVFWFLSA-N 2 1 395.548 -0.058 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658826823 1072867138 /nfs/dbraw/zinc/86/71/38/1072867138.db2.gz SPLIIKNJJZGKPV-DLBZAZTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658826823 1072867127 /nfs/dbraw/zinc/86/71/27/1072867127.db2.gz SPLIIKNJJZGKPV-DLBZAZTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658826823 1072867116 /nfs/dbraw/zinc/86/71/16/1072867116.db2.gz SPLIIKNJJZGKPV-DLBZAZTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658826825 1072867240 /nfs/dbraw/zinc/86/72/40/1072867240.db2.gz SPLIIKNJJZGKPV-IAGOWNOFSA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658826825 1072867229 /nfs/dbraw/zinc/86/72/29/1072867229.db2.gz SPLIIKNJJZGKPV-IAGOWNOFSA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658826825 1072867215 /nfs/dbraw/zinc/86/72/15/1072867215.db2.gz SPLIIKNJJZGKPV-IAGOWNOFSA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658826826 1072867330 /nfs/dbraw/zinc/86/73/30/1072867330.db2.gz SPLIIKNJJZGKPV-IRXDYDNUSA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH+](CC)C1 ZINC000658826826 1072867321 /nfs/dbraw/zinc/86/73/21/1072867321.db2.gz SPLIIKNJJZGKPV-IRXDYDNUSA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658826826 1072867312 /nfs/dbraw/zinc/86/73/12/1072867312.db2.gz SPLIIKNJJZGKPV-IRXDYDNUSA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658826828 1072867411 /nfs/dbraw/zinc/86/74/11/1072867411.db2.gz SPLIIKNJJZGKPV-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CC[NH+](CC)C1 ZINC000658826828 1072867400 /nfs/dbraw/zinc/86/74/00/1072867400.db2.gz SPLIIKNJJZGKPV-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658826828 1072867393 /nfs/dbraw/zinc/86/73/93/1072867393.db2.gz SPLIIKNJJZGKPV-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000658901511 1072942460 /nfs/dbraw/zinc/94/24/60/1072942460.db2.gz KYQQLNMCJJFEQP-MSOLQXFVSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000658901512 1072941982 /nfs/dbraw/zinc/94/19/82/1072941982.db2.gz KYQQLNMCJJFEQP-QZTJIDSGSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000658901513 1072941858 /nfs/dbraw/zinc/94/18/58/1072941858.db2.gz KYQQLNMCJJFEQP-ROUUACIJSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000658901514 1072942355 /nfs/dbraw/zinc/94/23/55/1072942355.db2.gz KYQQLNMCJJFEQP-ZWKOTPCHSA-N 2 1 396.532 -0.387 20 0 GBADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902911 1072942997 /nfs/dbraw/zinc/94/29/97/1072942997.db2.gz IOAISFFYVBRCQO-FXAWDEMLSA-N 2 1 378.517 -0.012 20 0 GBADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902911 1072942990 /nfs/dbraw/zinc/94/29/90/1072942990.db2.gz IOAISFFYVBRCQO-FXAWDEMLSA-N 2 1 378.517 -0.012 20 0 GBADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902911 1072942985 /nfs/dbraw/zinc/94/29/85/1072942985.db2.gz IOAISFFYVBRCQO-FXAWDEMLSA-N 2 1 378.517 -0.012 20 0 GBADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902912 1072943187 /nfs/dbraw/zinc/94/31/87/1072943187.db2.gz IOAISFFYVBRCQO-PXNSSMCTSA-N 2 1 378.517 -0.012 20 0 GBADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902912 1072943180 /nfs/dbraw/zinc/94/31/80/1072943180.db2.gz IOAISFFYVBRCQO-PXNSSMCTSA-N 2 1 378.517 -0.012 20 0 GBADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902912 1072943172 /nfs/dbraw/zinc/94/31/72/1072943172.db2.gz IOAISFFYVBRCQO-PXNSSMCTSA-N 2 1 378.517 -0.012 20 0 GBADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902913 1072943382 /nfs/dbraw/zinc/94/33/82/1072943382.db2.gz IOAISFFYVBRCQO-XLIONFOSSA-N 2 1 378.517 -0.012 20 0 GBADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902913 1072943377 /nfs/dbraw/zinc/94/33/77/1072943377.db2.gz IOAISFFYVBRCQO-XLIONFOSSA-N 2 1 378.517 -0.012 20 0 GBADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902913 1072943368 /nfs/dbraw/zinc/94/33/68/1072943368.db2.gz IOAISFFYVBRCQO-XLIONFOSSA-N 2 1 378.517 -0.012 20 0 GBADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902914 1072942808 /nfs/dbraw/zinc/94/28/08/1072942808.db2.gz IOAISFFYVBRCQO-YLJYHZDGSA-N 2 1 378.517 -0.012 20 0 GBADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902914 1072942807 /nfs/dbraw/zinc/94/28/07/1072942807.db2.gz IOAISFFYVBRCQO-YLJYHZDGSA-N 2 1 378.517 -0.012 20 0 GBADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902914 1072942795 /nfs/dbraw/zinc/94/27/95/1072942795.db2.gz IOAISFFYVBRCQO-YLJYHZDGSA-N 2 1 378.517 -0.012 20 0 GBADMP CN(CCCN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)CC[NH+](C)C ZINC000658904794 1072943964 /nfs/dbraw/zinc/94/39/64/1072943964.db2.gz VVXOKIMQMFAPSN-GOSISDBHSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(CCCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)CC[NH+](C)C ZINC000658904794 1072943956 /nfs/dbraw/zinc/94/39/56/1072943956.db2.gz VVXOKIMQMFAPSN-GOSISDBHSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658904794 1072943952 /nfs/dbraw/zinc/94/39/52/1072943952.db2.gz VVXOKIMQMFAPSN-GOSISDBHSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658904794 1072943948 /nfs/dbraw/zinc/94/39/48/1072943948.db2.gz VVXOKIMQMFAPSN-GOSISDBHSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658904794 1072943941 /nfs/dbraw/zinc/94/39/41/1072943941.db2.gz VVXOKIMQMFAPSN-GOSISDBHSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(CCCN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)CC[NH+](C)C ZINC000658904795 1072943745 /nfs/dbraw/zinc/94/37/45/1072943745.db2.gz VVXOKIMQMFAPSN-SFHVURJKSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(CCCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)CC[NH+](C)C ZINC000658904795 1072943741 /nfs/dbraw/zinc/94/37/41/1072943741.db2.gz VVXOKIMQMFAPSN-SFHVURJKSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658904795 1072943737 /nfs/dbraw/zinc/94/37/37/1072943737.db2.gz VVXOKIMQMFAPSN-SFHVURJKSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(C)CC[NH+](C)CCCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658904795 1072943732 /nfs/dbraw/zinc/94/37/32/1072943732.db2.gz VVXOKIMQMFAPSN-SFHVURJKSA-N 2 1 397.564 -0.614 20 0 GBADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658904795 1072943728 /nfs/dbraw/zinc/94/37/28/1072943728.db2.gz VVXOKIMQMFAPSN-SFHVURJKSA-N 2 1 397.564 -0.614 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H](C)[N@@H+]1CCO ZINC000658926461 1072961511 /nfs/dbraw/zinc/96/15/11/1072961511.db2.gz CLLKJCJGHQRXDH-BBWFWOEESA-N 2 1 384.521 -0.531 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H](C)[N@H+]1CCO ZINC000658926461 1072961502 /nfs/dbraw/zinc/96/15/02/1072961502.db2.gz CLLKJCJGHQRXDH-BBWFWOEESA-N 2 1 384.521 -0.531 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H](C)[N@@H+]1CCO ZINC000658926462 1072961815 /nfs/dbraw/zinc/96/18/15/1072961815.db2.gz CLLKJCJGHQRXDH-IXDOHACOSA-N 2 1 384.521 -0.531 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H](C)[N@H+]1CCO ZINC000658926462 1072961811 /nfs/dbraw/zinc/96/18/11/1072961811.db2.gz CLLKJCJGHQRXDH-IXDOHACOSA-N 2 1 384.521 -0.531 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000658927861 1072960827 /nfs/dbraw/zinc/96/08/27/1072960827.db2.gz XVZGMJASELEOKY-INIZCTEOSA-N 2 1 384.521 -0.529 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000658927861 1072960823 /nfs/dbraw/zinc/96/08/23/1072960823.db2.gz XVZGMJASELEOKY-INIZCTEOSA-N 2 1 384.521 -0.529 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000658927863 1072960880 /nfs/dbraw/zinc/96/08/80/1072960880.db2.gz XVZGMJASELEOKY-MRXNPFEDSA-N 2 1 384.521 -0.529 20 0 GBADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000658927863 1072960874 /nfs/dbraw/zinc/96/08/74/1072960874.db2.gz XVZGMJASELEOKY-MRXNPFEDSA-N 2 1 384.521 -0.529 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000659006948 1072982002 /nfs/dbraw/zinc/98/20/02/1072982002.db2.gz FPHFHQSUQVMNRX-DLBZAZTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000659006948 1072981996 /nfs/dbraw/zinc/98/19/96/1072981996.db2.gz FPHFHQSUQVMNRX-DLBZAZTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)CC1 ZINC000659006948 1072981985 /nfs/dbraw/zinc/98/19/85/1072981985.db2.gz FPHFHQSUQVMNRX-DLBZAZTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)CC1 ZINC000659006948 1072981981 /nfs/dbraw/zinc/98/19/81/1072981981.db2.gz FPHFHQSUQVMNRX-DLBZAZTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000659006949 1072982127 /nfs/dbraw/zinc/98/21/27/1072982127.db2.gz FPHFHQSUQVMNRX-IAGOWNOFSA-N 2 1 391.516 -0.552 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000659006949 1072982124 /nfs/dbraw/zinc/98/21/24/1072982124.db2.gz FPHFHQSUQVMNRX-IAGOWNOFSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC1 ZINC000659006949 1072982120 /nfs/dbraw/zinc/98/21/20/1072982120.db2.gz FPHFHQSUQVMNRX-IAGOWNOFSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC1 ZINC000659006949 1072982116 /nfs/dbraw/zinc/98/21/16/1072982116.db2.gz FPHFHQSUQVMNRX-IAGOWNOFSA-N 2 1 391.516 -0.552 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000659006950 1072981548 /nfs/dbraw/zinc/98/15/48/1072981548.db2.gz FPHFHQSUQVMNRX-IRXDYDNUSA-N 2 1 391.516 -0.552 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000659006950 1072981544 /nfs/dbraw/zinc/98/15/44/1072981544.db2.gz FPHFHQSUQVMNRX-IRXDYDNUSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)CC1 ZINC000659006950 1072981539 /nfs/dbraw/zinc/98/15/39/1072981539.db2.gz FPHFHQSUQVMNRX-IRXDYDNUSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)CC1 ZINC000659006950 1072981537 /nfs/dbraw/zinc/98/15/37/1072981537.db2.gz FPHFHQSUQVMNRX-IRXDYDNUSA-N 2 1 391.516 -0.552 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000659006951 1072981747 /nfs/dbraw/zinc/98/17/47/1072981747.db2.gz FPHFHQSUQVMNRX-SJORKVTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000659006951 1072981736 /nfs/dbraw/zinc/98/17/36/1072981736.db2.gz FPHFHQSUQVMNRX-SJORKVTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC1 ZINC000659006951 1072981717 /nfs/dbraw/zinc/98/17/17/1072981717.db2.gz FPHFHQSUQVMNRX-SJORKVTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC1 ZINC000659006951 1072981709 /nfs/dbraw/zinc/98/17/09/1072981709.db2.gz FPHFHQSUQVMNRX-SJORKVTESA-N 2 1 391.516 -0.552 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000659007447 1072981958 /nfs/dbraw/zinc/98/19/58/1072981958.db2.gz PCSCHEJZLPAGLP-KRWDZBQOSA-N 2 1 391.516 -0.550 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000659007447 1072981951 /nfs/dbraw/zinc/98/19/51/1072981951.db2.gz PCSCHEJZLPAGLP-KRWDZBQOSA-N 2 1 391.516 -0.550 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000659007448 1072981420 /nfs/dbraw/zinc/98/14/20/1072981420.db2.gz PCSCHEJZLPAGLP-QGZVFWFLSA-N 2 1 391.516 -0.550 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000659007448 1072981407 /nfs/dbraw/zinc/98/14/07/1072981407.db2.gz PCSCHEJZLPAGLP-QGZVFWFLSA-N 2 1 391.516 -0.550 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659097077 1072995469 /nfs/dbraw/zinc/99/54/69/1072995469.db2.gz ZQBCOGYMRMNUIL-CYBMUJFWSA-N 2 1 375.477 -0.186 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659097078 1072996261 /nfs/dbraw/zinc/99/62/61/1072996261.db2.gz ZQBCOGYMRMNUIL-ZDUSSCGKSA-N 2 1 375.477 -0.186 20 0 GBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000659099440 1072995325 /nfs/dbraw/zinc/99/53/25/1072995325.db2.gz FVQIIMVVXBGJOH-UHFFFAOYSA-N 2 1 385.468 -0.038 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000659101796 1072996143 /nfs/dbraw/zinc/99/61/43/1072996143.db2.gz HKBCFNJCZZHYKP-UHFFFAOYSA-N 2 1 399.495 -0.109 20 0 GBADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000659105367 1072996215 /nfs/dbraw/zinc/99/62/15/1072996215.db2.gz GXPGKOHPNGGJGB-UHFFFAOYSA-N 2 1 385.468 -0.119 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000659105509 1072995924 /nfs/dbraw/zinc/99/59/24/1072995924.db2.gz NUMCBWYZCSHWAG-UHFFFAOYSA-N 2 1 399.495 -0.190 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000659111968 1072999784 /nfs/dbraw/zinc/99/97/84/1072999784.db2.gz NHWIBHNVBXCNSP-CYBMUJFWSA-N 2 1 391.472 -0.255 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000659111970 1072999324 /nfs/dbraw/zinc/99/93/24/1072999324.db2.gz NHWIBHNVBXCNSP-ZDUSSCGKSA-N 2 1 391.472 -0.255 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000659112166 1073001440 /nfs/dbraw/zinc/00/14/40/1073001440.db2.gz IOCVGLMGDIKQGM-HNNXBMFYSA-N 2 1 377.489 -0.025 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000659112167 1073001399 /nfs/dbraw/zinc/00/13/99/1073001399.db2.gz IOCVGLMGDIKQGM-OAHLLOKOSA-N 2 1 377.489 -0.025 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000659112438 1073000508 /nfs/dbraw/zinc/00/05/08/1073000508.db2.gz QCOUKIOUPFAOTJ-AWEZNQCLSA-N 2 1 375.473 -0.334 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000659112439 1073000425 /nfs/dbraw/zinc/00/04/25/1073000425.db2.gz QCOUKIOUPFAOTJ-CQSZACIVSA-N 2 1 375.473 -0.334 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162831 1073006404 /nfs/dbraw/zinc/00/64/04/1073006404.db2.gz JMTGABSTFSNWTI-MSOLQXFVSA-N 2 1 377.533 -0.079 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162833 1073006189 /nfs/dbraw/zinc/00/61/89/1073006189.db2.gz JMTGABSTFSNWTI-QZTJIDSGSA-N 2 1 377.533 -0.079 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162835 1073005977 /nfs/dbraw/zinc/00/59/77/1073005977.db2.gz JMTGABSTFSNWTI-ROUUACIJSA-N 2 1 377.533 -0.079 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162837 1073006030 /nfs/dbraw/zinc/00/60/30/1073006030.db2.gz JMTGABSTFSNWTI-ZWKOTPCHSA-N 2 1 377.533 -0.079 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC2)C1 ZINC000659244224 1073013281 /nfs/dbraw/zinc/01/32/81/1073013281.db2.gz BDNJPULITFYRNJ-KRWDZBQOSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC2)C1 ZINC000659244224 1073013271 /nfs/dbraw/zinc/01/32/71/1073013271.db2.gz BDNJPULITFYRNJ-KRWDZBQOSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC2)C1 ZINC000659244225 1073013369 /nfs/dbraw/zinc/01/33/69/1073013369.db2.gz BDNJPULITFYRNJ-QGZVFWFLSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)CC2)C1 ZINC000659244225 1073013357 /nfs/dbraw/zinc/01/33/57/1073013357.db2.gz BDNJPULITFYRNJ-QGZVFWFLSA-N 2 1 395.548 -0.860 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)C1 ZINC000659288084 1073016243 /nfs/dbraw/zinc/01/62/43/1073016243.db2.gz ZZIKSYZJIGIJPW-INIZCTEOSA-N 2 1 385.472 -0.136 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)C1 ZINC000659288086 1073016345 /nfs/dbraw/zinc/01/63/45/1073016345.db2.gz ZZIKSYZJIGIJPW-MRXNPFEDSA-N 2 1 385.472 -0.136 20 0 GBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659318524 1073040113 /nfs/dbraw/zinc/04/01/13/1073040113.db2.gz KCIPFFDUMSPSML-GOSISDBHSA-N 3 1 396.580 -0.823 20 0 GBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659318525 1073040716 /nfs/dbraw/zinc/04/07/16/1073040716.db2.gz KCIPFFDUMSPSML-SFHVURJKSA-N 3 1 396.580 -0.823 20 0 GBADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000659318531 1073040644 /nfs/dbraw/zinc/04/06/44/1073040644.db2.gz KYVDVOXRIIXJLO-SFHVURJKSA-N 2 1 397.564 -0.491 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000659324659 1073041398 /nfs/dbraw/zinc/04/13/98/1073041398.db2.gz GJAANFVNKGNYSX-INIZCTEOSA-N 2 1 377.489 -0.940 20 0 GBADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000659324660 1073041463 /nfs/dbraw/zinc/04/14/63/1073041463.db2.gz GJAANFVNKGNYSX-MRXNPFEDSA-N 2 1 377.489 -0.940 20 0 GBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)C1 ZINC000659324776 1073040028 /nfs/dbraw/zinc/04/00/28/1073040028.db2.gz QXVSNCCKOSKFGP-FQEVSTJZSA-N 2 1 391.516 -0.693 20 0 GBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)C1 ZINC000659324780 1073040186 /nfs/dbraw/zinc/04/01/86/1073040186.db2.gz QXVSNCCKOSKFGP-HXUWFJFHSA-N 2 1 391.516 -0.693 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659345024 1073042429 /nfs/dbraw/zinc/04/24/29/1073042429.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659345024 1073042416 /nfs/dbraw/zinc/04/24/16/1073042416.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659345024 1073042410 /nfs/dbraw/zinc/04/24/10/1073042410.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659345024 1073042399 /nfs/dbraw/zinc/04/23/99/1073042399.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659345024 1073042389 /nfs/dbraw/zinc/04/23/89/1073042389.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659345025 1073042926 /nfs/dbraw/zinc/04/29/26/1073042926.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659345025 1073042915 /nfs/dbraw/zinc/04/29/15/1073042915.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659345025 1073042908 /nfs/dbraw/zinc/04/29/08/1073042908.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659345025 1073042899 /nfs/dbraw/zinc/04/28/99/1073042899.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659345025 1073042887 /nfs/dbraw/zinc/04/28/87/1073042887.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 2 1 377.533 -0.224 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000659364288 1073044023 /nfs/dbraw/zinc/04/40/23/1073044023.db2.gz BWHDRHWNXMHXKR-MSOLQXFVSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000659364288 1073044020 /nfs/dbraw/zinc/04/40/20/1073044020.db2.gz BWHDRHWNXMHXKR-MSOLQXFVSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659364288 1073044010 /nfs/dbraw/zinc/04/40/10/1073044010.db2.gz BWHDRHWNXMHXKR-MSOLQXFVSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000659364289 1073043361 /nfs/dbraw/zinc/04/33/61/1073043361.db2.gz BWHDRHWNXMHXKR-QZTJIDSGSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000659364289 1073043352 /nfs/dbraw/zinc/04/33/52/1073043352.db2.gz BWHDRHWNXMHXKR-QZTJIDSGSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000659364289 1073043344 /nfs/dbraw/zinc/04/33/44/1073043344.db2.gz BWHDRHWNXMHXKR-QZTJIDSGSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000659364290 1073043522 /nfs/dbraw/zinc/04/35/22/1073043522.db2.gz BWHDRHWNXMHXKR-ROUUACIJSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000659364290 1073043512 /nfs/dbraw/zinc/04/35/12/1073043512.db2.gz BWHDRHWNXMHXKR-ROUUACIJSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659364290 1073043497 /nfs/dbraw/zinc/04/34/97/1073043497.db2.gz BWHDRHWNXMHXKR-ROUUACIJSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000659364291 1073043668 /nfs/dbraw/zinc/04/36/68/1073043668.db2.gz BWHDRHWNXMHXKR-ZWKOTPCHSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000659364291 1073043664 /nfs/dbraw/zinc/04/36/64/1073043664.db2.gz BWHDRHWNXMHXKR-ZWKOTPCHSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000659364291 1073043656 /nfs/dbraw/zinc/04/36/56/1073043656.db2.gz BWHDRHWNXMHXKR-ZWKOTPCHSA-N 2 1 377.533 -0.080 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659448032 1073049280 /nfs/dbraw/zinc/04/92/80/1073049280.db2.gz JVJBYERNXDROHC-CYBMUJFWSA-N 2 1 379.465 -0.617 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659448033 1073050016 /nfs/dbraw/zinc/05/00/16/1073050016.db2.gz JVJBYERNXDROHC-ZDUSSCGKSA-N 2 1 379.465 -0.617 20 0 GBADMP CCOC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489191 1073051447 /nfs/dbraw/zinc/05/14/47/1073051447.db2.gz ZGCGHAKKERXAAR-DLBZAZTESA-N 2 1 384.521 -0.673 20 0 GBADMP CCOC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489191 1073051438 /nfs/dbraw/zinc/05/14/38/1073051438.db2.gz ZGCGHAKKERXAAR-DLBZAZTESA-N 2 1 384.521 -0.673 20 0 GBADMP CCOC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489192 1073051702 /nfs/dbraw/zinc/05/17/02/1073051702.db2.gz ZGCGHAKKERXAAR-IAGOWNOFSA-N 2 1 384.521 -0.673 20 0 GBADMP CCOC[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000659489192 1073051693 /nfs/dbraw/zinc/05/16/93/1073051693.db2.gz ZGCGHAKKERXAAR-IAGOWNOFSA-N 2 1 384.521 -0.673 20 0 GBADMP CCOC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000659489193 1073051891 /nfs/dbraw/zinc/05/18/91/1073051891.db2.gz ZGCGHAKKERXAAR-IRXDYDNUSA-N 2 1 384.521 -0.673 20 0 GBADMP CCOC[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000659489193 1073051881 /nfs/dbraw/zinc/05/18/81/1073051881.db2.gz ZGCGHAKKERXAAR-IRXDYDNUSA-N 2 1 384.521 -0.673 20 0 GBADMP O=C(CNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)N1CC[NH2+]CC1 ZINC000659506417 1073053573 /nfs/dbraw/zinc/05/35/73/1073053573.db2.gz AJWIFPYNIQGATB-KRWDZBQOSA-N 2 1 375.473 -0.516 20 0 GBADMP O=C(CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N1CC[NH2+]CC1 ZINC000659506418 1073054154 /nfs/dbraw/zinc/05/41/54/1073054154.db2.gz AJWIFPYNIQGATB-QGZVFWFLSA-N 2 1 375.473 -0.516 20 0 GBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531768 1073056083 /nfs/dbraw/zinc/05/60/83/1073056083.db2.gz CRPDZGUJMJKRBJ-KRWDZBQOSA-N 2 1 395.548 -0.860 20 0 GBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531768 1073056080 /nfs/dbraw/zinc/05/60/80/1073056080.db2.gz CRPDZGUJMJKRBJ-KRWDZBQOSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531768 1073056077 /nfs/dbraw/zinc/05/60/77/1073056077.db2.gz CRPDZGUJMJKRBJ-KRWDZBQOSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531768 1073056072 /nfs/dbraw/zinc/05/60/72/1073056072.db2.gz CRPDZGUJMJKRBJ-KRWDZBQOSA-N 2 1 395.548 -0.860 20 0 GBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531769 1073056357 /nfs/dbraw/zinc/05/63/57/1073056357.db2.gz CRPDZGUJMJKRBJ-QGZVFWFLSA-N 2 1 395.548 -0.860 20 0 GBADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531769 1073056347 /nfs/dbraw/zinc/05/63/47/1073056347.db2.gz CRPDZGUJMJKRBJ-QGZVFWFLSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531769 1073056336 /nfs/dbraw/zinc/05/63/36/1073056336.db2.gz CRPDZGUJMJKRBJ-QGZVFWFLSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)CC2)C1 ZINC000659531769 1073056329 /nfs/dbraw/zinc/05/63/29/1073056329.db2.gz CRPDZGUJMJKRBJ-QGZVFWFLSA-N 2 1 395.548 -0.860 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531794 1073056240 /nfs/dbraw/zinc/05/62/40/1073056240.db2.gz FHDYHVJRPOJUCG-MSOLQXFVSA-N 2 1 375.517 -0.303 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531796 1073056009 /nfs/dbraw/zinc/05/60/09/1073056009.db2.gz FHDYHVJRPOJUCG-QZTJIDSGSA-N 2 1 375.517 -0.303 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531797 1073055833 /nfs/dbraw/zinc/05/58/33/1073055833.db2.gz FHDYHVJRPOJUCG-ROUUACIJSA-N 2 1 375.517 -0.303 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531798 1073055903 /nfs/dbraw/zinc/05/59/03/1073055903.db2.gz FHDYHVJRPOJUCG-ZWKOTPCHSA-N 2 1 375.517 -0.303 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000659532046 1073054657 /nfs/dbraw/zinc/05/46/57/1073054657.db2.gz TVSGHXZKENXNOK-FGTMMUONSA-N 2 1 395.548 -0.862 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000659532046 1073054648 /nfs/dbraw/zinc/05/46/48/1073054648.db2.gz TVSGHXZKENXNOK-FGTMMUONSA-N 2 1 395.548 -0.862 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000659532046 1073054642 /nfs/dbraw/zinc/05/46/42/1073054642.db2.gz TVSGHXZKENXNOK-FGTMMUONSA-N 2 1 395.548 -0.862 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@H+]1CCO ZINC000659532046 1073054633 /nfs/dbraw/zinc/05/46/33/1073054633.db2.gz TVSGHXZKENXNOK-FGTMMUONSA-N 2 1 395.548 -0.862 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000659532047 1073055329 /nfs/dbraw/zinc/05/53/29/1073055329.db2.gz TVSGHXZKENXNOK-KSZLIROESA-N 2 1 395.548 -0.862 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000659532047 1073055320 /nfs/dbraw/zinc/05/53/20/1073055320.db2.gz TVSGHXZKENXNOK-KSZLIROESA-N 2 1 395.548 -0.862 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000659532047 1073055307 /nfs/dbraw/zinc/05/53/07/1073055307.db2.gz TVSGHXZKENXNOK-KSZLIROESA-N 2 1 395.548 -0.862 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H](C)[N@H+]1CCO ZINC000659532047 1073055299 /nfs/dbraw/zinc/05/52/99/1073055299.db2.gz TVSGHXZKENXNOK-KSZLIROESA-N 2 1 395.548 -0.862 20 0 GBADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CC2)C1 ZINC000659535039 1073055007 /nfs/dbraw/zinc/05/50/07/1073055007.db2.gz SPGYJYLQXCKEJJ-GOSISDBHSA-N 2 1 377.533 -0.079 20 0 GBADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CC2)C1 ZINC000659535039 1073055005 /nfs/dbraw/zinc/05/50/05/1073055005.db2.gz SPGYJYLQXCKEJJ-GOSISDBHSA-N 2 1 377.533 -0.079 20 0 GBADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CC2)C1 ZINC000659535043 1073054754 /nfs/dbraw/zinc/05/47/54/1073054754.db2.gz SPGYJYLQXCKEJJ-SFHVURJKSA-N 2 1 377.533 -0.079 20 0 GBADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CC2)C1 ZINC000659535043 1073054746 /nfs/dbraw/zinc/05/47/46/1073054746.db2.gz SPGYJYLQXCKEJJ-SFHVURJKSA-N 2 1 377.533 -0.079 20 0 GBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659535310 1073053554 /nfs/dbraw/zinc/05/35/54/1073053554.db2.gz ZYVBBZPDGARPRE-FXAWDEMLSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659535310 1073053546 /nfs/dbraw/zinc/05/35/46/1073053546.db2.gz ZYVBBZPDGARPRE-FXAWDEMLSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535310 1073053542 /nfs/dbraw/zinc/05/35/42/1073053542.db2.gz ZYVBBZPDGARPRE-FXAWDEMLSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659535311 1073053941 /nfs/dbraw/zinc/05/39/41/1073053941.db2.gz ZYVBBZPDGARPRE-PXNSSMCTSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659535311 1073053931 /nfs/dbraw/zinc/05/39/31/1073053931.db2.gz ZYVBBZPDGARPRE-PXNSSMCTSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535311 1073053925 /nfs/dbraw/zinc/05/39/25/1073053925.db2.gz ZYVBBZPDGARPRE-PXNSSMCTSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659535313 1073053620 /nfs/dbraw/zinc/05/36/20/1073053620.db2.gz ZYVBBZPDGARPRE-XLIONFOSSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659535313 1073053615 /nfs/dbraw/zinc/05/36/15/1073053615.db2.gz ZYVBBZPDGARPRE-XLIONFOSSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535313 1073053610 /nfs/dbraw/zinc/05/36/10/1073053610.db2.gz ZYVBBZPDGARPRE-XLIONFOSSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659535314 1073054870 /nfs/dbraw/zinc/05/48/70/1073054870.db2.gz ZYVBBZPDGARPRE-YLJYHZDGSA-N 2 1 377.533 -0.221 20 0 GBADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659535314 1073054866 /nfs/dbraw/zinc/05/48/66/1073054866.db2.gz ZYVBBZPDGARPRE-YLJYHZDGSA-N 2 1 377.533 -0.221 20 0 GBADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535314 1073054859 /nfs/dbraw/zinc/05/48/59/1073054859.db2.gz ZYVBBZPDGARPRE-YLJYHZDGSA-N 2 1 377.533 -0.221 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000659545629 1073056486 /nfs/dbraw/zinc/05/64/86/1073056486.db2.gz RKANTDCNKGRJBM-UHFFFAOYSA-N 2 1 382.553 -0.136 20 0 GBADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000659567989 1073056920 /nfs/dbraw/zinc/05/69/20/1073056920.db2.gz OUFXWRVPLUGAIO-UHFFFAOYSA-N 2 1 384.521 -0.529 20 0 GBADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000659567989 1073056913 /nfs/dbraw/zinc/05/69/13/1073056913.db2.gz OUFXWRVPLUGAIO-UHFFFAOYSA-N 2 1 384.521 -0.529 20 0 GBADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659603431 1073059387 /nfs/dbraw/zinc/05/93/87/1073059387.db2.gz AAEZVDBYQKVWPS-HNNXBMFYSA-N 2 1 387.550 -0.264 20 0 GBADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659603434 1073059439 /nfs/dbraw/zinc/05/94/39/1073059439.db2.gz AAEZVDBYQKVWPS-OAHLLOKOSA-N 2 1 387.550 -0.264 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000659608552 1073059693 /nfs/dbraw/zinc/05/96/93/1073059693.db2.gz POUDYHKPCIISKT-DLBZAZTESA-N 2 1 379.505 -0.155 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000659608553 1073059772 /nfs/dbraw/zinc/05/97/72/1073059772.db2.gz POUDYHKPCIISKT-IAGOWNOFSA-N 2 1 379.505 -0.155 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000659608554 1073059490 /nfs/dbraw/zinc/05/94/90/1073059490.db2.gz POUDYHKPCIISKT-IRXDYDNUSA-N 2 1 379.505 -0.155 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000659608555 1073059363 /nfs/dbraw/zinc/05/93/63/1073059363.db2.gz POUDYHKPCIISKT-SJORKVTESA-N 2 1 379.505 -0.155 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630464 1073061074 /nfs/dbraw/zinc/06/10/74/1073061074.db2.gz JDCTXHDZBLZCNS-CYBMUJFWSA-N 2 1 377.449 -0.911 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630465 1073061308 /nfs/dbraw/zinc/06/13/08/1073061308.db2.gz JDCTXHDZBLZCNS-ZDUSSCGKSA-N 2 1 377.449 -0.911 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000659630943 1073061120 /nfs/dbraw/zinc/06/11/20/1073061120.db2.gz XECISJAUMQWDBS-MRXNPFEDSA-N 2 1 386.456 -0.141 20 0 GBADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631982 1073061735 /nfs/dbraw/zinc/06/17/35/1073061735.db2.gz MQXMQNUPUXUECP-HNNXBMFYSA-N 2 1 377.493 -0.048 20 0 GBADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631983 1073061166 /nfs/dbraw/zinc/06/11/66/1073061166.db2.gz MQXMQNUPUXUECP-OAHLLOKOSA-N 2 1 377.493 -0.048 20 0 GBADMP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659642753 1073062606 /nfs/dbraw/zinc/06/26/06/1073062606.db2.gz ZTAIIQWXLYMXBT-UHFFFAOYSA-N 2 1 399.561 -0.263 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000659673436 1073070755 /nfs/dbraw/zinc/07/07/55/1073070755.db2.gz JJKSRWSXXQAUMF-CYBMUJFWSA-N 2 1 388.428 -0.197 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000659673437 1073070475 /nfs/dbraw/zinc/07/04/75/1073070475.db2.gz JJKSRWSXXQAUMF-ZDUSSCGKSA-N 2 1 388.428 -0.197 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659674204 1073072443 /nfs/dbraw/zinc/07/24/43/1073072443.db2.gz LGSVTPUQHOADJH-AWEZNQCLSA-N 2 1 384.440 -0.352 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659674209 1073073198 /nfs/dbraw/zinc/07/31/98/1073073198.db2.gz LGSVTPUQHOADJH-CQSZACIVSA-N 2 1 384.440 -0.352 20 0 GBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000659675862 1073072164 /nfs/dbraw/zinc/07/21/64/1073072164.db2.gz CGYAYTISSHLDFO-PBHICJAKSA-N 2 1 384.440 -0.181 20 0 GBADMP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659675863 1073072098 /nfs/dbraw/zinc/07/20/98/1073072098.db2.gz CGYAYTISSHLDFO-RHSMWYFYSA-N 2 1 384.440 -0.181 20 0 GBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659675864 1073072636 /nfs/dbraw/zinc/07/26/36/1073072636.db2.gz CGYAYTISSHLDFO-WMLDXEAASA-N 2 1 384.440 -0.181 20 0 GBADMP C[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000659675865 1073072131 /nfs/dbraw/zinc/07/21/31/1073072131.db2.gz CGYAYTISSHLDFO-YOEHRIQHSA-N 2 1 384.440 -0.181 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[C@H]1F ZINC000659675866 1073072388 /nfs/dbraw/zinc/07/23/88/1073072388.db2.gz CHCCNFVUKPCKJU-BRWVUGGUSA-N 2 1 378.448 -0.233 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[C@H]1F ZINC000659675867 1073072718 /nfs/dbraw/zinc/07/27/18/1073072718.db2.gz CHCCNFVUKPCKJU-GVDBMIGSSA-N 2 1 378.448 -0.233 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000659677632 1073073681 /nfs/dbraw/zinc/07/36/81/1073073681.db2.gz GJSBDCDTHQGUPA-CYBMUJFWSA-N 2 1 386.456 -0.106 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000659677635 1073073547 /nfs/dbraw/zinc/07/35/47/1073073547.db2.gz GJSBDCDTHQGUPA-ZDUSSCGKSA-N 2 1 386.456 -0.106 20 0 GBADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659680772 1073072951 /nfs/dbraw/zinc/07/29/51/1073072951.db2.gz KUDBJSKQFUILCL-FRRDWIJNSA-N 2 1 378.477 -0.260 20 0 GBADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659680775 1073072490 /nfs/dbraw/zinc/07/24/90/1073072490.db2.gz KUDBJSKQFUILCL-XQQFMLRXSA-N 2 1 378.477 -0.260 20 0 GBADMP C[N@@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659681085 1073073046 /nfs/dbraw/zinc/07/30/46/1073073046.db2.gz CJIBIXKJRIOPBW-UHFFFAOYSA-N 2 1 386.456 -0.105 20 0 GBADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659681145 1073072819 /nfs/dbraw/zinc/07/28/19/1073072819.db2.gz PNLGHXWGNBCWIC-GFCCVEGCSA-N 2 1 378.477 -0.116 20 0 GBADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659681146 1073072340 /nfs/dbraw/zinc/07/23/40/1073072340.db2.gz PNLGHXWGNBCWIC-LBPRGKRZSA-N 2 1 378.477 -0.116 20 0 GBADMP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000659687164 1073074820 /nfs/dbraw/zinc/07/48/20/1073074820.db2.gz DZUCFLRRFJVTGX-UHFFFAOYSA-N 2 1 389.504 -0.507 20 0 GBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659687518 1073074933 /nfs/dbraw/zinc/07/49/33/1073074933.db2.gz KUINIKGTQZJQHU-UHFFFAOYSA-N 2 1 377.493 -0.699 20 0 GBADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659687787 1073075162 /nfs/dbraw/zinc/07/51/62/1073075162.db2.gz MZZRPJHAAVEVDT-CYBMUJFWSA-N 2 1 378.477 -0.259 20 0 GBADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659687788 1073075720 /nfs/dbraw/zinc/07/57/20/1073075720.db2.gz MZZRPJHAAVEVDT-ZDUSSCGKSA-N 2 1 378.477 -0.259 20 0 GBADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659687849 1073075581 /nfs/dbraw/zinc/07/55/81/1073075581.db2.gz PPJKRRLRWJCFAS-UHFFFAOYSA-N 2 1 387.488 -0.945 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@H]1F ZINC000659688031 1073075446 /nfs/dbraw/zinc/07/54/46/1073075446.db2.gz TUIBMZFBWAVEFB-HUUCEWRRSA-N 2 1 393.467 -0.997 20 0 GBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659688287 1073075384 /nfs/dbraw/zinc/07/53/84/1073075384.db2.gz XANZEHUHPSCCPD-MRXNPFEDSA-N 2 1 391.520 -0.406 20 0 GBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000659689422 1073075274 /nfs/dbraw/zinc/07/52/74/1073075274.db2.gz ALKWDJXJSJGLTF-UHFFFAOYSA-N 2 1 399.495 -0.441 20 0 GBADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000659689623 1073075602 /nfs/dbraw/zinc/07/56/02/1073075602.db2.gz GMCOFCNEXFLLED-UHFFFAOYSA-N 2 1 399.495 -0.360 20 0 GBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659689909 1073077456 /nfs/dbraw/zinc/07/74/56/1073077456.db2.gz KMJMAJUHVCHWBX-UHFFFAOYSA-N 2 1 389.500 -0.114 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659690087 1073076289 /nfs/dbraw/zinc/07/62/89/1073076289.db2.gz NSHAUQGUBPTJBL-AWEZNQCLSA-N 2 1 375.473 -0.586 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659690089 1073076265 /nfs/dbraw/zinc/07/62/65/1073076265.db2.gz NSHAUQGUBPTJBL-CQSZACIVSA-N 2 1 375.473 -0.586 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000659690462 1073076630 /nfs/dbraw/zinc/07/66/30/1073076630.db2.gz IFIRNWWUFCDJLE-CYBMUJFWSA-N 2 1 398.467 -0.180 20 0 GBADMP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000659690462 1073076623 /nfs/dbraw/zinc/07/66/23/1073076623.db2.gz IFIRNWWUFCDJLE-CYBMUJFWSA-N 2 1 398.467 -0.180 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000659690463 1073076749 /nfs/dbraw/zinc/07/67/49/1073076749.db2.gz IFIRNWWUFCDJLE-ZDUSSCGKSA-N 2 1 398.467 -0.180 20 0 GBADMP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000659690463 1073076737 /nfs/dbraw/zinc/07/67/37/1073076737.db2.gz IFIRNWWUFCDJLE-ZDUSSCGKSA-N 2 1 398.467 -0.180 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659694080 1073077502 /nfs/dbraw/zinc/07/75/02/1073077502.db2.gz DUNZELNWQLDLCQ-KRWDZBQOSA-N 2 1 393.532 -0.495 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659694081 1073077372 /nfs/dbraw/zinc/07/73/72/1073077372.db2.gz DUNZELNWQLDLCQ-QGZVFWFLSA-N 2 1 393.532 -0.495 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659694983 1073077173 /nfs/dbraw/zinc/07/71/73/1073077173.db2.gz PTZXQEFOCGCAQV-KRWDZBQOSA-N 2 1 393.532 -0.495 20 0 GBADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659694984 1073077407 /nfs/dbraw/zinc/07/74/07/1073077407.db2.gz PTZXQEFOCGCAQV-QGZVFWFLSA-N 2 1 393.532 -0.495 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000659695142 1073077713 /nfs/dbraw/zinc/07/77/13/1073077713.db2.gz SBTIKSFRXOJTBC-UHFFFAOYSA-N 2 1 384.440 -0.568 20 0 GBADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000659696126 1073077984 /nfs/dbraw/zinc/07/79/84/1073077984.db2.gz LGPMLQPFLIZPFT-UHFFFAOYSA-N 2 1 386.500 -0.340 20 0 GBADMP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000659696739 1073078499 /nfs/dbraw/zinc/07/84/99/1073078499.db2.gz POLKVQNNLUFSFE-IAGOWNOFSA-N 2 1 392.479 -0.392 20 0 GBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000659696785 1073078397 /nfs/dbraw/zinc/07/83/97/1073078397.db2.gz QHWGWYHFRCWGBZ-UHFFFAOYSA-N 2 1 376.505 -0.094 20 0 GBADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659697017 1073078060 /nfs/dbraw/zinc/07/80/60/1073078060.db2.gz FZCMXFBEQHFRBR-BETUJISGSA-N 2 1 378.477 -0.259 20 0 GBADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659697532 1073078232 /nfs/dbraw/zinc/07/82/32/1073078232.db2.gz XNHXZCNSRCCQGZ-UHFFFAOYSA-N 2 1 386.500 -0.422 20 0 GBADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659698703 1073079396 /nfs/dbraw/zinc/07/93/96/1073079396.db2.gz KGYPZWUKUIVMSW-CYBMUJFWSA-N 2 1 378.477 -0.115 20 0 GBADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659698708 1073079107 /nfs/dbraw/zinc/07/91/07/1073079107.db2.gz KGYPZWUKUIVMSW-ZDUSSCGKSA-N 2 1 378.477 -0.115 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659699182 1073078949 /nfs/dbraw/zinc/07/89/49/1073078949.db2.gz MKMQAVWNTBHDSH-INIZCTEOSA-N 2 1 393.532 -0.449 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659699184 1073079239 /nfs/dbraw/zinc/07/92/39/1073079239.db2.gz MKMQAVWNTBHDSH-MRXNPFEDSA-N 2 1 393.532 -0.449 20 0 GBADMP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000659699284 1073079372 /nfs/dbraw/zinc/07/93/72/1073079372.db2.gz VJVUTFXWWUAWJQ-GFCCVEGCSA-N 2 1 378.458 -0.262 20 0 GBADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000659699285 1073078935 /nfs/dbraw/zinc/07/89/35/1073078935.db2.gz VJVUTFXWWUAWJQ-LBPRGKRZSA-N 2 1 378.458 -0.262 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659699416 1073078881 /nfs/dbraw/zinc/07/88/81/1073078881.db2.gz PHBCXEHZDFGPKQ-HNNXBMFYSA-N 2 1 398.467 -0.105 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659699418 1073079040 /nfs/dbraw/zinc/07/90/40/1073079040.db2.gz PHBCXEHZDFGPKQ-OAHLLOKOSA-N 2 1 398.467 -0.105 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000659699578 1073078835 /nfs/dbraw/zinc/07/88/35/1073078835.db2.gz YEKXKOCPBNZTIH-UHFFFAOYSA-N 2 1 398.467 -0.178 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699830 1073079152 /nfs/dbraw/zinc/07/91/52/1073079152.db2.gz VANFOQOCFDOCKF-INIZCTEOSA-N 2 1 393.532 -0.449 20 0 GBADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699831 1073079294 /nfs/dbraw/zinc/07/92/94/1073079294.db2.gz VANFOQOCFDOCKF-MRXNPFEDSA-N 2 1 393.532 -0.449 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000659699887 1073079188 /nfs/dbraw/zinc/07/91/88/1073079188.db2.gz XGTTXYDYQURLKL-OWCLPIDISA-N 2 1 381.521 -0.369 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000659699908 1073078982 /nfs/dbraw/zinc/07/89/82/1073078982.db2.gz XGTTXYDYQURLKL-PMPSAXMXSA-N 2 1 381.521 -0.369 20 0 GBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700522 1073079066 /nfs/dbraw/zinc/07/90/66/1073079066.db2.gz MTEQABPRSVGUHM-BBRMVZONSA-N 2 1 398.467 -0.106 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700523 1073079132 /nfs/dbraw/zinc/07/91/32/1073079132.db2.gz MTEQABPRSVGUHM-CJNGLKHVSA-N 2 1 398.467 -0.106 20 0 GBADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700524 1073078791 /nfs/dbraw/zinc/07/87/91/1073078791.db2.gz MTEQABPRSVGUHM-CZUORRHYSA-N 2 1 398.467 -0.106 20 0 GBADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700525 1073079307 /nfs/dbraw/zinc/07/93/07/1073079307.db2.gz MTEQABPRSVGUHM-XJKSGUPXSA-N 2 1 398.467 -0.106 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659702072 1073079334 /nfs/dbraw/zinc/07/93/34/1073079334.db2.gz NLMDGOIWRFBUMI-ZBFHGGJFSA-N 2 1 381.521 -0.321 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659704858 1073078460 /nfs/dbraw/zinc/07/84/60/1073078460.db2.gz RYEAJKUDTFBADD-PBHICJAKSA-N 2 1 389.500 -0.276 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659704860 1073078096 /nfs/dbraw/zinc/07/80/96/1073078096.db2.gz RYEAJKUDTFBADD-RHSMWYFYSA-N 2 1 389.500 -0.276 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659704862 1073078200 /nfs/dbraw/zinc/07/82/00/1073078200.db2.gz RYEAJKUDTFBADD-WMLDXEAASA-N 2 1 389.500 -0.276 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659704864 1073078161 /nfs/dbraw/zinc/07/81/61/1073078161.db2.gz RYEAJKUDTFBADD-YOEHRIQHSA-N 2 1 389.500 -0.276 20 0 GBADMP C[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000659708469 1073078473 /nfs/dbraw/zinc/07/84/73/1073078473.db2.gz RUGGFOACCRBOAE-UHFFFAOYSA-N 2 1 390.419 -0.356 20 0 GBADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659711453 1073080856 /nfs/dbraw/zinc/08/08/56/1073080856.db2.gz ZHJFLKMELUZOKT-IAGOWNOFSA-N 2 1 393.532 -0.843 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659717496 1073080120 /nfs/dbraw/zinc/08/01/20/1073080120.db2.gz HZQVWZMQBWROLQ-CAOSSQGBSA-N 2 1 394.516 -0.025 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659717497 1073079569 /nfs/dbraw/zinc/07/95/69/1073079569.db2.gz HZQVWZMQBWROLQ-KLHDSHLOSA-N 2 1 394.516 -0.025 20 0 GBADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659717498 1073080294 /nfs/dbraw/zinc/08/02/94/1073080294.db2.gz HZQVWZMQBWROLQ-QKPAOTATSA-N 2 1 394.516 -0.025 20 0 GBADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659717499 1073079779 /nfs/dbraw/zinc/07/97/79/1073079779.db2.gz HZQVWZMQBWROLQ-ZJIFWQFVSA-N 2 1 394.516 -0.025 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000659720575 1073085028 /nfs/dbraw/zinc/08/50/28/1073085028.db2.gz QIELNNBBBQDSTN-KRWDZBQOSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000659720575 1073085014 /nfs/dbraw/zinc/08/50/14/1073085014.db2.gz QIELNNBBBQDSTN-KRWDZBQOSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000659720576 1073085432 /nfs/dbraw/zinc/08/54/32/1073085432.db2.gz QIELNNBBBQDSTN-QGZVFWFLSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000659720576 1073085418 /nfs/dbraw/zinc/08/54/18/1073085418.db2.gz QIELNNBBBQDSTN-QGZVFWFLSA-N 2 1 391.516 -0.552 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659720901 1073081633 /nfs/dbraw/zinc/08/16/33/1073081633.db2.gz BHZGTJNVHCPKGM-IBGZPJMESA-N 2 1 385.512 -0.045 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659720902 1073081275 /nfs/dbraw/zinc/08/12/75/1073081275.db2.gz BHZGTJNVHCPKGM-LJQANCHMSA-N 2 1 385.512 -0.045 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722344 1073082730 /nfs/dbraw/zinc/08/27/30/1073082730.db2.gz DOLODFOPWDSYMG-CHWSQXEVSA-N 2 1 393.454 -0.072 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722346 1073082044 /nfs/dbraw/zinc/08/20/44/1073082044.db2.gz DOLODFOPWDSYMG-OLZOCXBDSA-N 2 1 393.454 -0.072 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722349 1073082223 /nfs/dbraw/zinc/08/22/23/1073082223.db2.gz DOLODFOPWDSYMG-QWHCGFSZSA-N 2 1 393.454 -0.072 20 0 GBADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722351 1073082142 /nfs/dbraw/zinc/08/21/42/1073082142.db2.gz DOLODFOPWDSYMG-STQMWFEESA-N 2 1 393.454 -0.072 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723301 1073082008 /nfs/dbraw/zinc/08/20/08/1073082008.db2.gz IVEKUFWORRRDAF-CHWSQXEVSA-N 2 1 379.427 -0.461 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723303 1073082414 /nfs/dbraw/zinc/08/24/14/1073082414.db2.gz IVEKUFWORRRDAF-OLZOCXBDSA-N 2 1 379.427 -0.461 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723307 1073082825 /nfs/dbraw/zinc/08/28/25/1073082825.db2.gz IVEKUFWORRRDAF-QWHCGFSZSA-N 2 1 379.427 -0.461 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723310 1073082790 /nfs/dbraw/zinc/08/27/90/1073082790.db2.gz IVEKUFWORRRDAF-STQMWFEESA-N 2 1 379.427 -0.461 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659724777 1073083428 /nfs/dbraw/zinc/08/34/28/1073083428.db2.gz QVJKDOSDJNAJPD-ARFHVFGLSA-N 2 1 380.489 -0.759 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659724781 1073083717 /nfs/dbraw/zinc/08/37/17/1073083717.db2.gz QVJKDOSDJNAJPD-BZUAXINKSA-N 2 1 380.489 -0.759 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659725881 1073083996 /nfs/dbraw/zinc/08/39/96/1073083996.db2.gz AHNWLTOKVSEVQM-MSOLQXFVSA-N 2 1 389.500 -0.977 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659725882 1073084370 /nfs/dbraw/zinc/08/43/70/1073084370.db2.gz AHNWLTOKVSEVQM-QZTJIDSGSA-N 2 1 389.500 -0.977 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659725883 1073084537 /nfs/dbraw/zinc/08/45/37/1073084537.db2.gz AHNWLTOKVSEVQM-ROUUACIJSA-N 2 1 389.500 -0.977 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659725884 1073084634 /nfs/dbraw/zinc/08/46/34/1073084634.db2.gz AHNWLTOKVSEVQM-ZWKOTPCHSA-N 2 1 389.500 -0.977 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659732540 1073091935 /nfs/dbraw/zinc/09/19/35/1073091935.db2.gz LTVHJLMMXBVDNH-UHFFFAOYSA-N 2 1 393.532 -0.223 20 0 GBADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659732645 1073092178 /nfs/dbraw/zinc/09/21/78/1073092178.db2.gz RDZBDHJEWIODPA-UHFFFAOYSA-N 2 1 379.505 -0.613 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659735513 1073092967 /nfs/dbraw/zinc/09/29/67/1073092967.db2.gz HPSNQGXDDKGFQA-CVEARBPZSA-N 2 1 393.532 -0.177 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659735514 1073093067 /nfs/dbraw/zinc/09/30/67/1073093067.db2.gz HPSNQGXDDKGFQA-HOTGVXAUSA-N 2 1 393.532 -0.177 20 0 GBADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659735515 1073093409 /nfs/dbraw/zinc/09/34/09/1073093409.db2.gz HPSNQGXDDKGFQA-HZPDHXFCSA-N 2 1 393.532 -0.177 20 0 GBADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000659735516 1073092911 /nfs/dbraw/zinc/09/29/11/1073092911.db2.gz HPSNQGXDDKGFQA-JKSUJKDBSA-N 2 1 393.532 -0.177 20 0 GBADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCO1 ZINC000659738267 1073091066 /nfs/dbraw/zinc/09/10/66/1073091066.db2.gz DBFWXJMCILBXGU-ARFHVFGLSA-N 2 1 380.489 -0.678 20 0 GBADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCO1 ZINC000659738268 1073091321 /nfs/dbraw/zinc/09/13/21/1073091321.db2.gz DBFWXJMCILBXGU-BZUAXINKSA-N 2 1 380.489 -0.678 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000659738685 1073091759 /nfs/dbraw/zinc/09/17/59/1073091759.db2.gz IKXHVXRUNAIVOY-INIZCTEOSA-N 2 1 381.521 -0.306 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000659738686 1073092021 /nfs/dbraw/zinc/09/20/21/1073092021.db2.gz IKXHVXRUNAIVOY-MRXNPFEDSA-N 2 1 381.521 -0.306 20 0 GBADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@H]1C[NH3+] ZINC000659738922 1073090755 /nfs/dbraw/zinc/09/07/55/1073090755.db2.gz KUYCBIUHCQOXBS-QBPKDAKJSA-N 2 1 394.516 -0.432 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739060 1073091523 /nfs/dbraw/zinc/09/15/23/1073091523.db2.gz MFXRMJMKQSVBCG-CVEARBPZSA-N 2 1 379.505 -0.743 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739061 1073091001 /nfs/dbraw/zinc/09/10/01/1073091001.db2.gz MFXRMJMKQSVBCG-HOTGVXAUSA-N 2 1 379.505 -0.743 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739062 1073091572 /nfs/dbraw/zinc/09/15/72/1073091572.db2.gz MFXRMJMKQSVBCG-HZPDHXFCSA-N 2 1 379.505 -0.743 20 0 GBADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739063 1073091265 /nfs/dbraw/zinc/09/12/65/1073091265.db2.gz MFXRMJMKQSVBCG-JKSUJKDBSA-N 2 1 379.505 -0.743 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000659739232 1073091395 /nfs/dbraw/zinc/09/13/95/1073091395.db2.gz OJWOTZMQOJGKSU-MSOLQXFVSA-N 2 1 387.484 -0.076 20 0 GBADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000659739233 1073091119 /nfs/dbraw/zinc/09/11/19/1073091119.db2.gz OJWOTZMQOJGKSU-QZTJIDSGSA-N 2 1 387.484 -0.076 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000659739234 1073090839 /nfs/dbraw/zinc/09/08/39/1073090839.db2.gz OJWOTZMQOJGKSU-ROUUACIJSA-N 2 1 387.484 -0.076 20 0 GBADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000659739235 1073090709 /nfs/dbraw/zinc/09/07/09/1073090709.db2.gz OJWOTZMQOJGKSU-ZWKOTPCHSA-N 2 1 387.484 -0.076 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659739289 1073091206 /nfs/dbraw/zinc/09/12/06/1073091206.db2.gz QHPQXQCFJHFBTQ-IKGGRYGDSA-N 2 1 393.532 -0.306 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659739290 1073090475 /nfs/dbraw/zinc/09/04/75/1073090475.db2.gz QHPQXQCFJHFBTQ-IXDOHACOSA-N 2 1 393.532 -0.306 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659739291 1073091485 /nfs/dbraw/zinc/09/14/85/1073091485.db2.gz QHPQXQCFJHFBTQ-ULQDDVLXSA-N 2 1 393.532 -0.306 20 0 GBADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659739292 1073090633 /nfs/dbraw/zinc/09/06/33/1073090633.db2.gz QHPQXQCFJHFBTQ-YESZJQIVSA-N 2 1 393.532 -0.306 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659739406 1073091163 /nfs/dbraw/zinc/09/11/63/1073091163.db2.gz TUQVQCWRNILMJV-MWDXBVQZSA-N 2 1 376.501 -0.044 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659739407 1073090608 /nfs/dbraw/zinc/09/06/08/1073090608.db2.gz TUQVQCWRNILMJV-QBPKDAKJSA-N 2 1 376.501 -0.044 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659739408 1073090678 /nfs/dbraw/zinc/09/06/78/1073090678.db2.gz TUQVQCWRNILMJV-YLFCFFPRSA-N 2 1 376.501 -0.044 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659739409 1073090959 /nfs/dbraw/zinc/09/09/59/1073090959.db2.gz TUQVQCWRNILMJV-YYIAUSFCSA-N 2 1 376.501 -0.044 20 0 GBADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659739473 1073090878 /nfs/dbraw/zinc/09/08/78/1073090878.db2.gz VIQWHDWYXSMWRI-CAOSSQGBSA-N 2 1 380.489 -0.679 20 0 GBADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659739474 1073091372 /nfs/dbraw/zinc/09/13/72/1073091372.db2.gz VIQWHDWYXSMWRI-KLHDSHLOSA-N 2 1 380.489 -0.679 20 0 GBADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659739475 1073090582 /nfs/dbraw/zinc/09/05/82/1073090582.db2.gz VIQWHDWYXSMWRI-QKPAOTATSA-N 2 1 380.489 -0.679 20 0 GBADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1 ZINC000659739476 1073090939 /nfs/dbraw/zinc/09/09/39/1073090939.db2.gz VIQWHDWYXSMWRI-ZJIFWQFVSA-N 2 1 380.489 -0.679 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659739517 1073090535 /nfs/dbraw/zinc/09/05/35/1073090535.db2.gz WQDIJOLWNHQEAG-GPMSIDNRSA-N 2 1 376.501 -0.042 20 0 GBADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659739518 1073090435 /nfs/dbraw/zinc/09/04/35/1073090435.db2.gz WQDIJOLWNHQEAG-MDZRGWNJSA-N 2 1 376.501 -0.042 20 0 GBADMP C[NH+]1CCC(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)(N2CCCCC2)CC1 ZINC000659740513 1073091799 /nfs/dbraw/zinc/09/17/99/1073091799.db2.gz CAIBZVVZGITZFG-UHFFFAOYSA-N 2 1 377.533 -0.079 20 0 GBADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000659740919 1073099382 /nfs/dbraw/zinc/09/93/82/1073099382.db2.gz GFOQGOJIOFXYSO-UHFFFAOYSA-N 2 1 392.422 -0.032 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741901 1073093196 /nfs/dbraw/zinc/09/31/96/1073093196.db2.gz XDGQQPWFRZQLML-IDYZSHNDSA-N 2 1 385.512 -0.213 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741903 1073093363 /nfs/dbraw/zinc/09/33/63/1073093363.db2.gz XDGQQPWFRZQLML-WBTXTPOCSA-N 2 1 385.512 -0.213 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742169 1073092866 /nfs/dbraw/zinc/09/28/66/1073092866.db2.gz RHMBFPAGNZNQFQ-HLVUACMISA-N 2 1 377.533 -0.128 20 0 GBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659742842 1073094760 /nfs/dbraw/zinc/09/47/60/1073094760.db2.gz KCDDBQHEUFNFKP-UHFFFAOYSA-N 2 1 377.533 -0.128 20 0 GBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000659745640 1073094699 /nfs/dbraw/zinc/09/46/99/1073094699.db2.gz DBHSQNDGVPEIAV-MRXNPFEDSA-N 2 1 381.521 -0.511 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659745690 1073094920 /nfs/dbraw/zinc/09/49/20/1073094920.db2.gz SZCMWPWPLMVYEO-UHFFFAOYSA-N 2 1 391.516 -0.743 20 0 GBADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659745805 1073093976 /nfs/dbraw/zinc/09/39/76/1073093976.db2.gz FUALIYAJQMKUCO-GOSISDBHSA-N 2 1 375.517 -0.013 20 0 GBADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000659745806 1073094722 /nfs/dbraw/zinc/09/47/22/1073094722.db2.gz FUALIYAJQMKUCO-SFHVURJKSA-N 2 1 375.517 -0.013 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659746204 1073093808 /nfs/dbraw/zinc/09/38/08/1073093808.db2.gz JLSKWVLBFSDUSS-KZNAEPCWSA-N 2 1 391.491 -0.184 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659746205 1073094013 /nfs/dbraw/zinc/09/40/13/1073094013.db2.gz JLSKWVLBFSDUSS-RCCFBDPRSA-N 2 1 391.491 -0.184 20 0 GBADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000659746228 1073094499 /nfs/dbraw/zinc/09/44/99/1073094499.db2.gz HZRCLVLEBNRASD-QGZVFWFLSA-N 2 1 395.548 -0.121 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659746581 1073094532 /nfs/dbraw/zinc/09/45/32/1073094532.db2.gz OQGXLYQABIMAMN-IDYZSHNDSA-N 2 1 385.512 -0.132 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659746582 1073094220 /nfs/dbraw/zinc/09/42/20/1073094220.db2.gz OQGXLYQABIMAMN-WBTXTPOCSA-N 2 1 385.512 -0.132 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659746587 1073094069 /nfs/dbraw/zinc/09/40/69/1073094069.db2.gz OTGVTBAQVBDTSF-MSOLQXFVSA-N 2 1 389.500 -0.895 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659746588 1073094615 /nfs/dbraw/zinc/09/46/15/1073094615.db2.gz OTGVTBAQVBDTSF-QZTJIDSGSA-N 2 1 389.500 -0.895 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659746589 1073094290 /nfs/dbraw/zinc/09/42/90/1073094290.db2.gz OTGVTBAQVBDTSF-ROUUACIJSA-N 2 1 389.500 -0.895 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659746590 1073094143 /nfs/dbraw/zinc/09/41/43/1073094143.db2.gz OTGVTBAQVBDTSF-ZWKOTPCHSA-N 2 1 389.500 -0.895 20 0 GBADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746905 1073095959 /nfs/dbraw/zinc/09/59/59/1073095959.db2.gz SPDJVPSABNZJDY-MOPGFXCFSA-N 2 1 387.528 -0.013 20 0 GBADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746907 1073095412 /nfs/dbraw/zinc/09/54/12/1073095412.db2.gz SPDJVPSABNZJDY-OALUTQOASA-N 2 1 387.528 -0.013 20 0 GBADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746909 1073095656 /nfs/dbraw/zinc/09/56/56/1073095656.db2.gz SPDJVPSABNZJDY-RBUKOAKNSA-N 2 1 387.528 -0.013 20 0 GBADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746911 1073095905 /nfs/dbraw/zinc/09/59/05/1073095905.db2.gz SPDJVPSABNZJDY-RTBURBONSA-N 2 1 387.528 -0.013 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659747085 1073095556 /nfs/dbraw/zinc/09/55/56/1073095556.db2.gz VEUIGULNWPPXBA-CEXWTWQISA-N 2 1 385.512 -0.403 20 0 GBADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659747086 1073096024 /nfs/dbraw/zinc/09/60/24/1073096024.db2.gz VEUIGULNWPPXBA-OTWHNJEPSA-N 2 1 385.512 -0.403 20 0 GBADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747309 1073095334 /nfs/dbraw/zinc/09/53/34/1073095334.db2.gz ASKFAXYEFZIXSI-INIZCTEOSA-N 2 1 398.467 -0.010 20 0 GBADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747310 1073095186 /nfs/dbraw/zinc/09/51/86/1073095186.db2.gz ASKFAXYEFZIXSI-MRXNPFEDSA-N 2 1 398.467 -0.010 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747838 1073096462 /nfs/dbraw/zinc/09/64/62/1073096462.db2.gz KQCPOPVBKSRAQA-DOMZBBRYSA-N 2 1 388.472 -0.268 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747839 1073097456 /nfs/dbraw/zinc/09/74/56/1073097456.db2.gz KQCPOPVBKSRAQA-IUODEOHRSA-N 2 1 388.472 -0.268 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747840 1073097167 /nfs/dbraw/zinc/09/71/67/1073097167.db2.gz KQCPOPVBKSRAQA-SWLSCSKDSA-N 2 1 388.472 -0.268 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659747841 1073096512 /nfs/dbraw/zinc/09/65/12/1073096512.db2.gz KQCPOPVBKSRAQA-WFASDCNBSA-N 2 1 388.472 -0.268 20 0 GBADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747857 1073097406 /nfs/dbraw/zinc/09/74/06/1073097406.db2.gz KWSWKLHMNZTBBR-UHFFFAOYSA-N 2 1 394.476 -0.926 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CCOC ZINC000659747969 1073097604 /nfs/dbraw/zinc/09/76/04/1073097604.db2.gz LTRKRSMMXHBCJY-AWEZNQCLSA-N 2 1 394.476 -0.784 20 0 GBADMP CCC[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CCOC ZINC000659747969 1073097589 /nfs/dbraw/zinc/09/75/89/1073097589.db2.gz LTRKRSMMXHBCJY-AWEZNQCLSA-N 2 1 394.476 -0.784 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CCOC ZINC000659747971 1073096389 /nfs/dbraw/zinc/09/63/89/1073096389.db2.gz LTRKRSMMXHBCJY-CQSZACIVSA-N 2 1 394.476 -0.784 20 0 GBADMP CCC[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CCOC ZINC000659747971 1073096376 /nfs/dbraw/zinc/09/63/76/1073096376.db2.gz LTRKRSMMXHBCJY-CQSZACIVSA-N 2 1 394.476 -0.784 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000659748301 1073095213 /nfs/dbraw/zinc/09/52/13/1073095213.db2.gz HGOHJFIDGPYCOU-UHFFFAOYSA-N 2 1 398.467 -0.008 20 0 GBADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748842 1073098381 /nfs/dbraw/zinc/09/83/81/1073098381.db2.gz MXDXTFMJKRUACC-UHFFFAOYSA-N 2 1 378.477 -0.164 20 0 GBADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)c1 ZINC000659748872 1073097756 /nfs/dbraw/zinc/09/77/56/1073097756.db2.gz OCRQIXDIHSBFBL-UHFFFAOYSA-N 2 1 385.428 -0.691 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC2)CC1 ZINC000659748961 1073097808 /nfs/dbraw/zinc/09/78/08/1073097808.db2.gz CONJKJNWJGUJLS-HNNXBMFYSA-N 2 1 381.521 -0.497 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC2)CC1 ZINC000659748962 1073098303 /nfs/dbraw/zinc/09/83/03/1073098303.db2.gz CONJKJNWJGUJLS-OAHLLOKOSA-N 2 1 381.521 -0.497 20 0 GBADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000659749074 1073098419 /nfs/dbraw/zinc/09/84/19/1073098419.db2.gz RHMKCLVGBAPFEA-UHFFFAOYSA-N 2 1 376.461 -0.266 20 0 GBADMP CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659749623 1073098336 /nfs/dbraw/zinc/09/83/36/1073098336.db2.gz ZODRLBCDVSQTBR-INIZCTEOSA-N 2 1 398.467 -0.010 20 0 GBADMP CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659749624 1073098740 /nfs/dbraw/zinc/09/87/40/1073098740.db2.gz ZODRLBCDVSQTBR-MRXNPFEDSA-N 2 1 398.467 -0.010 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000659749849 1073099439 /nfs/dbraw/zinc/09/94/39/1073099439.db2.gz BXQHOLPLRPMSHY-KRWDZBQOSA-N 2 1 375.517 -0.013 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000659749850 1073099243 /nfs/dbraw/zinc/09/92/43/1073099243.db2.gz BXQHOLPLRPMSHY-QGZVFWFLSA-N 2 1 375.517 -0.013 20 0 GBADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000659751614 1073099632 /nfs/dbraw/zinc/09/96/32/1073099632.db2.gz VZQNODGURAFNHG-INIZCTEOSA-N 2 1 377.489 -0.143 20 0 GBADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000659751615 1073099115 /nfs/dbraw/zinc/09/91/15/1073099115.db2.gz VZQNODGURAFNHG-MRXNPFEDSA-N 2 1 377.489 -0.143 20 0 GBADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787184 1073111181 /nfs/dbraw/zinc/11/11/81/1073111181.db2.gz YUPJFNSPBJNFFL-DLBZAZTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787185 1073111220 /nfs/dbraw/zinc/11/12/20/1073111220.db2.gz YUPJFNSPBJNFFL-IAGOWNOFSA-N 2 1 391.516 -0.552 20 0 GBADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787186 1073110733 /nfs/dbraw/zinc/11/07/33/1073110733.db2.gz YUPJFNSPBJNFFL-IRXDYDNUSA-N 2 1 391.516 -0.552 20 0 GBADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787187 1073110993 /nfs/dbraw/zinc/11/09/93/1073110993.db2.gz YUPJFNSPBJNFFL-SJORKVTESA-N 2 1 391.516 -0.552 20 0 GBADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270621 1073315757 /nfs/dbraw/zinc/31/57/57/1073315757.db2.gz KOSFYDLVLRRVJQ-DLBZAZTESA-N 2 1 393.532 -0.448 20 0 GBADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270624 1073315555 /nfs/dbraw/zinc/31/55/55/1073315555.db2.gz KOSFYDLVLRRVJQ-IAGOWNOFSA-N 2 1 393.532 -0.448 20 0 GBADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270625 1073315881 /nfs/dbraw/zinc/31/58/81/1073315881.db2.gz KOSFYDLVLRRVJQ-IRXDYDNUSA-N 2 1 393.532 -0.448 20 0 GBADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270627 1073315800 /nfs/dbraw/zinc/31/58/00/1073315800.db2.gz KOSFYDLVLRRVJQ-SJORKVTESA-N 2 1 393.532 -0.448 20 0 GBADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)CC2 ZINC000660279132 1073316724 /nfs/dbraw/zinc/31/67/24/1073316724.db2.gz YOUPDCDHRKCSST-FGTMMUONSA-N 2 1 377.533 -0.080 20 0 GBADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000660279132 1073316714 /nfs/dbraw/zinc/31/67/14/1073316714.db2.gz YOUPDCDHRKCSST-FGTMMUONSA-N 2 1 377.533 -0.080 20 0 GBADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@@H]3CCC[NH+](C)C3)CC1)CC2 ZINC000660279132 1073316709 /nfs/dbraw/zinc/31/67/09/1073316709.db2.gz YOUPDCDHRKCSST-FGTMMUONSA-N 2 1 377.533 -0.080 20 0 GBADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)CC2 ZINC000660279133 1073316289 /nfs/dbraw/zinc/31/62/89/1073316289.db2.gz YOUPDCDHRKCSST-SQNIBIBYSA-N 2 1 377.533 -0.080 20 0 GBADMP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)CC2 ZINC000660279133 1073316281 /nfs/dbraw/zinc/31/62/81/1073316281.db2.gz YOUPDCDHRKCSST-SQNIBIBYSA-N 2 1 377.533 -0.080 20 0 GBADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@H]3CCC[NH+](C)C3)CC1)CC2 ZINC000660279133 1073316274 /nfs/dbraw/zinc/31/62/74/1073316274.db2.gz YOUPDCDHRKCSST-SQNIBIBYSA-N 2 1 377.533 -0.080 20 0 GBADMP C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660342467 1073321729 /nfs/dbraw/zinc/32/17/29/1073321729.db2.gz CXCPYTORALJBJG-MRXNPFEDSA-N 2 1 396.532 -0.387 20 0 GBADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660342467 1073321720 /nfs/dbraw/zinc/32/17/20/1073321720.db2.gz CXCPYTORALJBJG-MRXNPFEDSA-N 2 1 396.532 -0.387 20 0 GBADMP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000660348845 1073324245 /nfs/dbraw/zinc/32/42/45/1073324245.db2.gz GOXHEBNXUCMSBS-DLBZAZTESA-N 2 1 393.532 -0.306 20 0 GBADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000660348850 1073323695 /nfs/dbraw/zinc/32/36/95/1073323695.db2.gz GOXHEBNXUCMSBS-IAGOWNOFSA-N 2 1 393.532 -0.306 20 0 GBADMP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000660348854 1073324128 /nfs/dbraw/zinc/32/41/28/1073324128.db2.gz GOXHEBNXUCMSBS-IRXDYDNUSA-N 2 1 393.532 -0.306 20 0 GBADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000660348859 1073323885 /nfs/dbraw/zinc/32/38/85/1073323885.db2.gz GOXHEBNXUCMSBS-SJORKVTESA-N 2 1 393.532 -0.306 20 0 GBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660614158 1073372637 /nfs/dbraw/zinc/37/26/37/1073372637.db2.gz GFZDPHNEFYXGNE-INIZCTEOSA-N 2 1 381.521 -0.402 20 0 GBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660614161 1073372564 /nfs/dbraw/zinc/37/25/64/1073372564.db2.gz GFZDPHNEFYXGNE-MRXNPFEDSA-N 2 1 381.521 -0.402 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660619831 1073372757 /nfs/dbraw/zinc/37/27/57/1073372757.db2.gz KOLMEMZQIIQVFB-IBGZPJMESA-N 2 1 379.505 -0.837 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660619831 1073372744 /nfs/dbraw/zinc/37/27/44/1073372744.db2.gz KOLMEMZQIIQVFB-IBGZPJMESA-N 2 1 379.505 -0.837 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660619832 1073372266 /nfs/dbraw/zinc/37/22/66/1073372266.db2.gz KOLMEMZQIIQVFB-LJQANCHMSA-N 2 1 379.505 -0.837 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660619832 1073372256 /nfs/dbraw/zinc/37/22/56/1073372256.db2.gz KOLMEMZQIIQVFB-LJQANCHMSA-N 2 1 379.505 -0.837 20 0 GBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660755963 1073387115 /nfs/dbraw/zinc/38/71/15/1073387115.db2.gz HHQXEHAVPGDBKH-KRWDZBQOSA-N 2 1 398.548 -0.139 20 0 GBADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660755963 1073387111 /nfs/dbraw/zinc/38/71/11/1073387111.db2.gz HHQXEHAVPGDBKH-KRWDZBQOSA-N 2 1 398.548 -0.139 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660755964 1073386962 /nfs/dbraw/zinc/38/69/62/1073386962.db2.gz HHQXEHAVPGDBKH-QGZVFWFLSA-N 2 1 398.548 -0.139 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660755964 1073386955 /nfs/dbraw/zinc/38/69/55/1073386955.db2.gz HHQXEHAVPGDBKH-QGZVFWFLSA-N 2 1 398.548 -0.139 20 0 GBADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000660919701 1073394664 /nfs/dbraw/zinc/39/46/64/1073394664.db2.gz CYXOJFIWNRZSAF-UHFFFAOYSA-N 2 1 398.548 -0.139 20 0 GBADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000660919701 1073394657 /nfs/dbraw/zinc/39/46/57/1073394657.db2.gz CYXOJFIWNRZSAF-UHFFFAOYSA-N 2 1 398.548 -0.139 20 0 GBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000660993222 1073400788 /nfs/dbraw/zinc/40/07/88/1073400788.db2.gz BIXVGZVVBQNPLF-DLBZAZTESA-N 2 1 393.532 -0.260 20 0 GBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000660993223 1073400891 /nfs/dbraw/zinc/40/08/91/1073400891.db2.gz BIXVGZVVBQNPLF-IAGOWNOFSA-N 2 1 393.532 -0.260 20 0 GBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000660993224 1073401187 /nfs/dbraw/zinc/40/11/87/1073401187.db2.gz BIXVGZVVBQNPLF-IRXDYDNUSA-N 2 1 393.532 -0.260 20 0 GBADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000660993225 1073400945 /nfs/dbraw/zinc/40/09/45/1073400945.db2.gz BIXVGZVVBQNPLF-SJORKVTESA-N 2 1 393.532 -0.260 20 0 GBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[C@H]2C1 ZINC000661403553 1073432750 /nfs/dbraw/zinc/43/27/50/1073432750.db2.gz WUPYGCLHJPBESZ-BZSNNMDCSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[C@H]2C1 ZINC000661403553 1073432745 /nfs/dbraw/zinc/43/27/45/1073432745.db2.gz WUPYGCLHJPBESZ-BZSNNMDCSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)CC2)C1 ZINC000661403553 1073432738 /nfs/dbraw/zinc/43/27/38/1073432738.db2.gz WUPYGCLHJPBESZ-BZSNNMDCSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[C@@H]2C1 ZINC000661403554 1073433080 /nfs/dbraw/zinc/43/30/80/1073433080.db2.gz WUPYGCLHJPBESZ-FGTMMUONSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[C@@H]2C1 ZINC000661403554 1073433077 /nfs/dbraw/zinc/43/30/77/1073433077.db2.gz WUPYGCLHJPBESZ-FGTMMUONSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)CC2)C1 ZINC000661403554 1073433075 /nfs/dbraw/zinc/43/30/75/1073433075.db2.gz WUPYGCLHJPBESZ-FGTMMUONSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[C@@H]2C1 ZINC000661403555 1073432932 /nfs/dbraw/zinc/43/29/32/1073432932.db2.gz WUPYGCLHJPBESZ-OKZBNKHCSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[C@@H]2C1 ZINC000661403555 1073432930 /nfs/dbraw/zinc/43/29/30/1073432930.db2.gz WUPYGCLHJPBESZ-OKZBNKHCSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)CC2)C1 ZINC000661403555 1073432927 /nfs/dbraw/zinc/43/29/27/1073432927.db2.gz WUPYGCLHJPBESZ-OKZBNKHCSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[C@H]2C1 ZINC000661403557 1073432916 /nfs/dbraw/zinc/43/29/16/1073432916.db2.gz WUPYGCLHJPBESZ-SQNIBIBYSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[C@H]2C1 ZINC000661403557 1073432912 /nfs/dbraw/zinc/43/29/12/1073432912.db2.gz WUPYGCLHJPBESZ-SQNIBIBYSA-N 2 1 377.533 -0.223 20 0 GBADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)CC2)C1 ZINC000661403557 1073432909 /nfs/dbraw/zinc/43/29/09/1073432909.db2.gz WUPYGCLHJPBESZ-SQNIBIBYSA-N 2 1 377.533 -0.223 20 0 GBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000661704574 1073476506 /nfs/dbraw/zinc/47/65/06/1073476506.db2.gz JFNDBSSPOTUGQR-AUUYWEPGSA-N 2 1 385.472 -0.020 20 0 GBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000661704575 1073476920 /nfs/dbraw/zinc/47/69/20/1073476920.db2.gz JFNDBSSPOTUGQR-IFXJQAMLSA-N 2 1 385.472 -0.020 20 0 GBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000661704579 1073476554 /nfs/dbraw/zinc/47/65/54/1073476554.db2.gz JFNDBSSPOTUGQR-KUHUBIRLSA-N 2 1 385.472 -0.020 20 0 GBADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000661704580 1073477100 /nfs/dbraw/zinc/47/71/00/1073477100.db2.gz JFNDBSSPOTUGQR-LIRRHRJNSA-N 2 1 385.472 -0.020 20 0 GBADMP C[C@@H](O)[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)CC1 ZINC000661774330 1073492363 /nfs/dbraw/zinc/49/23/63/1073492363.db2.gz XLKHBSNGNWYNGE-BRSBDYLESA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@H](O)[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774331 1073492308 /nfs/dbraw/zinc/49/23/08/1073492308.db2.gz XLKHBSNGNWYNGE-WNRNVDISSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H](O)[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774332 1073492418 /nfs/dbraw/zinc/49/24/18/1073492418.db2.gz XLKHBSNGNWYNGE-XMTFNYHQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H](O)[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774332 1073492413 /nfs/dbraw/zinc/49/24/13/1073492413.db2.gz XLKHBSNGNWYNGE-XMTFNYHQSA-N 2 1 396.532 -0.652 20 0 GBADMP C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774332 1073492412 /nfs/dbraw/zinc/49/24/12/1073492412.db2.gz XLKHBSNGNWYNGE-XMTFNYHQSA-N 2 1 396.532 -0.652 20 0 GBADMP O=C(C[NH+]1CCC2(COC2)C1)N1CCN(C(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000662076813 1073525583 /nfs/dbraw/zinc/52/55/83/1073525583.db2.gz VHVBFEHUSOREHX-UHFFFAOYSA-N 2 1 392.500 -0.898 20 0 GBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@]1(C)CO ZINC000662146809 1073539081 /nfs/dbraw/zinc/53/90/81/1073539081.db2.gz SWKBMDIDMMGKDG-AUUYWEPGSA-N 2 1 387.488 -0.038 20 0 GBADMP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@]1(C)CO ZINC000662146810 1073538993 /nfs/dbraw/zinc/53/89/93/1073538993.db2.gz SWKBMDIDMMGKDG-IFXJQAMLSA-N 2 1 387.488 -0.038 20 0 GBADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@]1(C)CO ZINC000662146817 1073538073 /nfs/dbraw/zinc/53/80/73/1073538073.db2.gz SWKBMDIDMMGKDG-KUHUBIRLSA-N 2 1 387.488 -0.038 20 0 GBADMP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@]1(C)CO ZINC000662146819 1073538608 /nfs/dbraw/zinc/53/86/08/1073538608.db2.gz SWKBMDIDMMGKDG-LIRRHRJNSA-N 2 1 387.488 -0.038 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159099 1073539849 /nfs/dbraw/zinc/53/98/49/1073539849.db2.gz ZVBWKULHJWEYKD-MOPGFXCFSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159099 1073539838 /nfs/dbraw/zinc/53/98/38/1073539838.db2.gz ZVBWKULHJWEYKD-MOPGFXCFSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159099 1073539827 /nfs/dbraw/zinc/53/98/27/1073539827.db2.gz ZVBWKULHJWEYKD-MOPGFXCFSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000662159101 1073540215 /nfs/dbraw/zinc/54/02/15/1073540215.db2.gz ZVBWKULHJWEYKD-OALUTQOASA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000662159101 1073540206 /nfs/dbraw/zinc/54/02/06/1073540206.db2.gz ZVBWKULHJWEYKD-OALUTQOASA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000662159101 1073540195 /nfs/dbraw/zinc/54/01/95/1073540195.db2.gz ZVBWKULHJWEYKD-OALUTQOASA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000662159104 1073540433 /nfs/dbraw/zinc/54/04/33/1073540433.db2.gz ZVBWKULHJWEYKD-RBUKOAKNSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000662159104 1073540423 /nfs/dbraw/zinc/54/04/23/1073540423.db2.gz ZVBWKULHJWEYKD-RBUKOAKNSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000662159104 1073540413 /nfs/dbraw/zinc/54/04/13/1073540413.db2.gz ZVBWKULHJWEYKD-RBUKOAKNSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159106 1073541412 /nfs/dbraw/zinc/54/14/12/1073541412.db2.gz ZVBWKULHJWEYKD-RTBURBONSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159106 1073541403 /nfs/dbraw/zinc/54/14/03/1073541403.db2.gz ZVBWKULHJWEYKD-RTBURBONSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159106 1073541394 /nfs/dbraw/zinc/54/13/94/1073541394.db2.gz ZVBWKULHJWEYKD-RTBURBONSA-N 2 1 382.549 -0.010 20 0 GBADMP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@@H](C)O1 ZINC000662252962 1073553085 /nfs/dbraw/zinc/55/30/85/1073553085.db2.gz RXYQVMMLKLKCOY-BZUAXINKSA-N 2 1 388.534 -0.521 20 0 GBADMP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@@H](C)O1 ZINC000662252965 1073553140 /nfs/dbraw/zinc/55/31/40/1073553140.db2.gz RXYQVMMLKLKCOY-OAGGEKHMSA-N 2 1 388.534 -0.521 20 0 GBADMP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@H](C)O1 ZINC000662252971 1073552713 /nfs/dbraw/zinc/55/27/13/1073552713.db2.gz RXYQVMMLKLKCOY-OWCLPIDISA-N 2 1 388.534 -0.521 20 0 GBADMP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C[C@H](C)O1 ZINC000662252975 1073553053 /nfs/dbraw/zinc/55/30/53/1073553053.db2.gz RXYQVMMLKLKCOY-XHSDSOJGSA-N 2 1 388.534 -0.521 20 0 GBADMP CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000662253935 1073554124 /nfs/dbraw/zinc/55/41/24/1073554124.db2.gz ZGBWOTKWGOCGGN-UHFFFAOYSA-N 2 1 393.557 -0.058 20 0 GBADMP O=S(=O)(c1ccc(OCC[NH2+]C2(CO)CC[NH2+]CC2)cc1)N1CCOCC1 ZINC000662285712 1073556195 /nfs/dbraw/zinc/55/61/95/1073556195.db2.gz OTBCYIHHERHGFJ-UHFFFAOYSA-N 2 1 399.513 -0.210 20 0 GBADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662287625 1073557615 /nfs/dbraw/zinc/55/76/15/1073557615.db2.gz FNLBKOBQURFLPE-IBGZPJMESA-N 2 1 378.517 -0.357 20 0 GBADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662287626 1073557442 /nfs/dbraw/zinc/55/74/42/1073557442.db2.gz FNLBKOBQURFLPE-LJQANCHMSA-N 2 1 378.517 -0.357 20 0 GBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662289206 1073556659 /nfs/dbraw/zinc/55/66/59/1073556659.db2.gz XZQHRKMSXDBPFB-GOSISDBHSA-N 2 1 394.516 -0.657 20 0 GBADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662289207 1073556741 /nfs/dbraw/zinc/55/67/41/1073556741.db2.gz XZQHRKMSXDBPFB-SFHVURJKSA-N 2 1 394.516 -0.657 20 0 GBADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662289214 1073556264 /nfs/dbraw/zinc/55/62/64/1073556264.db2.gz YCLDAVHLYGSCNH-IBGZPJMESA-N 2 1 378.517 -0.357 20 0 GBADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662289215 1073556454 /nfs/dbraw/zinc/55/64/54/1073556454.db2.gz YCLDAVHLYGSCNH-LJQANCHMSA-N 2 1 378.517 -0.357 20 0 GBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293709 1073558663 /nfs/dbraw/zinc/55/86/63/1073558663.db2.gz MKPVTYQCFBAYQF-GOSISDBHSA-N 2 1 379.549 -0.070 20 0 GBADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293710 1073559004 /nfs/dbraw/zinc/55/90/04/1073559004.db2.gz MKPVTYQCFBAYQF-SFHVURJKSA-N 2 1 379.549 -0.070 20 0 GBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295390 1073558688 /nfs/dbraw/zinc/55/86/88/1073558688.db2.gz ZUYGOIHYGZUUBH-GXTWGEPZSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295391 1073558706 /nfs/dbraw/zinc/55/87/06/1073558706.db2.gz ZUYGOIHYGZUUBH-JSGCOSHPSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295392 1073558516 /nfs/dbraw/zinc/55/85/16/1073558516.db2.gz ZUYGOIHYGZUUBH-OCCSQVGLSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295393 1073558501 /nfs/dbraw/zinc/55/85/01/1073558501.db2.gz ZUYGOIHYGZUUBH-TZMCWYRMSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296043 1073558014 /nfs/dbraw/zinc/55/80/14/1073558014.db2.gz XMGQHKLDERUVFU-GXTWGEPZSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296044 1073558405 /nfs/dbraw/zinc/55/84/05/1073558405.db2.gz XMGQHKLDERUVFU-JSGCOSHPSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296045 1073558476 /nfs/dbraw/zinc/55/84/76/1073558476.db2.gz XMGQHKLDERUVFU-OCCSQVGLSA-N 2 1 377.489 -0.051 20 0 GBADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296046 1073558800 /nfs/dbraw/zinc/55/88/00/1073558800.db2.gz XMGQHKLDERUVFU-TZMCWYRMSA-N 2 1 377.489 -0.051 20 0 GBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c(=O)n2C ZINC000662322701 1073560795 /nfs/dbraw/zinc/56/07/95/1073560795.db2.gz NBRNZMBLEYMGOC-HNNXBMFYSA-N 2 1 392.504 -0.134 20 0 GBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c(=O)n2C ZINC000662322701 1073560788 /nfs/dbraw/zinc/56/07/88/1073560788.db2.gz NBRNZMBLEYMGOC-HNNXBMFYSA-N 2 1 392.504 -0.134 20 0 GBADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c(=O)n2C ZINC000662322704 1073560546 /nfs/dbraw/zinc/56/05/46/1073560546.db2.gz NBRNZMBLEYMGOC-OAHLLOKOSA-N 2 1 392.504 -0.134 20 0 GBADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c(=O)n2C ZINC000662322704 1073560534 /nfs/dbraw/zinc/56/05/34/1073560534.db2.gz NBRNZMBLEYMGOC-OAHLLOKOSA-N 2 1 392.504 -0.134 20 0 GBADMP Cn1c(=O)cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)c1=O ZINC000662336171 1073560396 /nfs/dbraw/zinc/56/03/96/1073560396.db2.gz XFBZYVFDVYEEKJ-AWEZNQCLSA-N 2 1 387.488 -0.404 20 0 GBADMP Cn1c(=O)cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n(C)c1=O ZINC000662336174 1073560768 /nfs/dbraw/zinc/56/07/68/1073560768.db2.gz XFBZYVFDVYEEKJ-CQSZACIVSA-N 2 1 387.488 -0.404 20 0 GBADMP O=C(CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNCC1 ZINC000662337198 1073560746 /nfs/dbraw/zinc/56/07/46/1073560746.db2.gz JUXIEGVVWUCXPD-INIZCTEOSA-N 2 1 375.521 -0.179 20 0 GBADMP O=C(CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNCC1 ZINC000662337198 1073560737 /nfs/dbraw/zinc/56/07/37/1073560737.db2.gz JUXIEGVVWUCXPD-INIZCTEOSA-N 2 1 375.521 -0.179 20 0 GBADMP O=C(CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH2+]CC1 ZINC000662337198 1073560725 /nfs/dbraw/zinc/56/07/25/1073560725.db2.gz JUXIEGVVWUCXPD-INIZCTEOSA-N 2 1 375.521 -0.179 20 0 GBADMP O=C(CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNCC1 ZINC000662337199 1073561081 /nfs/dbraw/zinc/56/10/81/1073561081.db2.gz JUXIEGVVWUCXPD-MRXNPFEDSA-N 2 1 375.521 -0.179 20 0 GBADMP O=C(CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNCC1 ZINC000662337199 1073561070 /nfs/dbraw/zinc/56/10/70/1073561070.db2.gz JUXIEGVVWUCXPD-MRXNPFEDSA-N 2 1 375.521 -0.179 20 0 GBADMP O=C(CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH2+]CC1 ZINC000662337199 1073561059 /nfs/dbraw/zinc/56/10/59/1073561059.db2.gz JUXIEGVVWUCXPD-MRXNPFEDSA-N 2 1 375.521 -0.179 20 0 GBADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662372225 1073561780 /nfs/dbraw/zinc/56/17/80/1073561780.db2.gz VGYPHQQVYXQYPN-UHFFFAOYSA-N 2 1 399.503 -0.065 20 0 GBADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662437428 1073565163 /nfs/dbraw/zinc/56/51/63/1073565163.db2.gz POSYUAKPDXPPLK-HNNXBMFYSA-N 2 1 377.493 -0.125 20 0 GBADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662437430 1073565678 /nfs/dbraw/zinc/56/56/78/1073565678.db2.gz POSYUAKPDXPPLK-OAHLLOKOSA-N 2 1 377.493 -0.125 20 0 GBADMP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662577354 1073575979 /nfs/dbraw/zinc/57/59/79/1073575979.db2.gz HIUGUOVMNJSOMH-UHFFFAOYSA-N 2 1 383.474 -0.799 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706827 1073584369 /nfs/dbraw/zinc/58/43/69/1073584369.db2.gz WZXUVWXKOTZNIJ-CABCVRRESA-N 2 1 377.493 -0.090 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706829 1073584109 /nfs/dbraw/zinc/58/41/09/1073584109.db2.gz WZXUVWXKOTZNIJ-GJZGRUSLSA-N 2 1 377.493 -0.090 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706831 1073584075 /nfs/dbraw/zinc/58/40/75/1073584075.db2.gz WZXUVWXKOTZNIJ-HUUCEWRRSA-N 2 1 377.493 -0.090 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706833 1073583824 /nfs/dbraw/zinc/58/38/24/1073583824.db2.gz WZXUVWXKOTZNIJ-LSDHHAIUSA-N 2 1 377.493 -0.090 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662747510 1073420653 /nfs/dbraw/zinc/42/06/53/1073420653.db2.gz WFLJYAGQAYZGFL-HNNXBMFYSA-N 2 1 377.493 -0.171 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662747511 1073420547 /nfs/dbraw/zinc/42/05/47/1073420547.db2.gz WFLJYAGQAYZGFL-OAHLLOKOSA-N 2 1 377.493 -0.171 20 0 GBADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662767594 1073423509 /nfs/dbraw/zinc/42/35/09/1073423509.db2.gz WSNGWEPZRAXSFB-CABCVRRESA-N 2 1 375.477 -0.371 20 0 GBADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662767596 1073423152 /nfs/dbraw/zinc/42/31/52/1073423152.db2.gz WSNGWEPZRAXSFB-GJZGRUSLSA-N 2 1 375.477 -0.371 20 0 GBADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662767598 1073422850 /nfs/dbraw/zinc/42/28/50/1073422850.db2.gz WSNGWEPZRAXSFB-HUUCEWRRSA-N 2 1 375.477 -0.371 20 0 GBADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662767599 1073423158 /nfs/dbraw/zinc/42/31/58/1073423158.db2.gz WSNGWEPZRAXSFB-LSDHHAIUSA-N 2 1 375.477 -0.371 20 0 GBADMP CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791203 1073427791 /nfs/dbraw/zinc/42/77/91/1073427791.db2.gz OOGYSNDJQKETHQ-DLBZAZTESA-N 2 1 381.521 -0.953 20 0 GBADMP CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791204 1073427943 /nfs/dbraw/zinc/42/79/43/1073427943.db2.gz OOGYSNDJQKETHQ-IAGOWNOFSA-N 2 1 381.521 -0.953 20 0 GBADMP CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791205 1073428332 /nfs/dbraw/zinc/42/83/32/1073428332.db2.gz OOGYSNDJQKETHQ-IRXDYDNUSA-N 2 1 381.521 -0.953 20 0 GBADMP CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791206 1073428309 /nfs/dbraw/zinc/42/83/09/1073428309.db2.gz OOGYSNDJQKETHQ-SJORKVTESA-N 2 1 381.521 -0.953 20 0 GBADMP CN(CCC[NH3+])C(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000662922877 1073471454 /nfs/dbraw/zinc/47/14/54/1073471454.db2.gz FJIRPTJTOWZHPG-UHFFFAOYSA-N 2 1 377.489 -0.060 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662930467 1073473762 /nfs/dbraw/zinc/47/37/62/1073473762.db2.gz QKOSIOQQIVKMPM-YYIAUSFCSA-N 2 1 383.512 -0.099 20 0 GBADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662930832 1073472702 /nfs/dbraw/zinc/47/27/02/1073472702.db2.gz WIZYYZTXCPGUHS-HLVUACMISA-N 2 1 377.533 -0.047 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)CC1 ZINC000662931924 1073473528 /nfs/dbraw/zinc/47/35/28/1073473528.db2.gz INPRSBJGFIQYLG-UHFFFAOYSA-N 2 1 381.521 -0.414 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC000662931952 1073473948 /nfs/dbraw/zinc/47/39/48/1073473948.db2.gz KCXJOSKNWVXGJL-UHFFFAOYSA-N 2 1 391.516 -0.661 20 0 GBADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000662931991 1073473258 /nfs/dbraw/zinc/47/32/58/1073473258.db2.gz LHMNJISJLPEFAP-HZPDHXFCSA-N 2 1 397.495 -0.713 20 0 GBADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662932686 1073474486 /nfs/dbraw/zinc/47/44/86/1073474486.db2.gz SRFHEWABGYVDRC-UHFFFAOYSA-N 2 1 381.521 -0.415 20 0 GBADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)CC1 ZINC000662933557 1073474531 /nfs/dbraw/zinc/47/45/31/1073474531.db2.gz YSMKGBUQOWPZKZ-UHFFFAOYSA-N 2 1 395.548 -0.025 20 0 GBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC000662942123 1073477090 /nfs/dbraw/zinc/47/70/90/1073477090.db2.gz DKPAQHZKZCDMHG-UHFFFAOYSA-N 2 1 377.533 -0.047 20 0 GBADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000662943836 1073479154 /nfs/dbraw/zinc/47/91/54/1073479154.db2.gz YZYPSWWRSBIRDF-IAGOWNOFSA-N 2 1 383.512 -0.099 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946533 1073480419 /nfs/dbraw/zinc/48/04/19/1073480419.db2.gz VRUFKKBSBQYBHI-GXTWGEPZSA-N 2 1 376.461 -0.410 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946534 1073479949 /nfs/dbraw/zinc/47/99/49/1073479949.db2.gz VRUFKKBSBQYBHI-JSGCOSHPSA-N 2 1 376.461 -0.410 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946535 1073479914 /nfs/dbraw/zinc/47/99/14/1073479914.db2.gz VRUFKKBSBQYBHI-OCCSQVGLSA-N 2 1 376.461 -0.410 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946536 1073480310 /nfs/dbraw/zinc/48/03/10/1073480310.db2.gz VRUFKKBSBQYBHI-TZMCWYRMSA-N 2 1 376.461 -0.410 20 0 GBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000662948059 1073481549 /nfs/dbraw/zinc/48/15/49/1073481549.db2.gz RURIEIKBTYQEOW-MOPGFXCFSA-N 2 1 387.528 -0.137 20 0 GBADMP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000662948060 1073481176 /nfs/dbraw/zinc/48/11/76/1073481176.db2.gz RURIEIKBTYQEOW-OALUTQOASA-N 2 1 387.528 -0.137 20 0 GBADMP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662948061 1073480939 /nfs/dbraw/zinc/48/09/39/1073480939.db2.gz RURIEIKBTYQEOW-RBUKOAKNSA-N 2 1 387.528 -0.137 20 0 GBADMP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662948062 1073481360 /nfs/dbraw/zinc/48/13/60/1073481360.db2.gz RURIEIKBTYQEOW-RTBURBONSA-N 2 1 387.528 -0.137 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000662984731 1073490410 /nfs/dbraw/zinc/49/04/10/1073490410.db2.gz UKHQYFMCRVQZKJ-OWCLPIDISA-N 2 1 379.505 -0.663 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000662984732 1073490679 /nfs/dbraw/zinc/49/06/79/1073490679.db2.gz UKHQYFMCRVQZKJ-PMPSAXMXSA-N 2 1 379.505 -0.663 20 0 GBADMP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)[C@H](C[NH3+])C1 ZINC000662988316 1073491340 /nfs/dbraw/zinc/49/13/40/1073491340.db2.gz RZPJQKYRCDTJRE-WBVHZDCISA-N 2 1 393.532 -0.415 20 0 GBADMP Cn1cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(=O)n(C)c1=O ZINC000663509750 1073603598 /nfs/dbraw/zinc/60/35/98/1073603598.db2.gz CPJAXIPEVNFBSZ-AWEZNQCLSA-N 2 1 387.488 -0.404 20 0 GBADMP Cn1cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(=O)n(C)c1=O ZINC000663509755 1073603514 /nfs/dbraw/zinc/60/35/14/1073603514.db2.gz CPJAXIPEVNFBSZ-CQSZACIVSA-N 2 1 387.488 -0.404 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000663548198 530161465 /nfs/dbraw/zinc/16/14/65/530161465.db2.gz UXCVPETUBDMWBC-AWEZNQCLSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000663548198 530161464 /nfs/dbraw/zinc/16/14/64/530161464.db2.gz UXCVPETUBDMWBC-AWEZNQCLSA-N 2 1 377.555 -0.018 20 0 GBADMP Cc1c(N2CCC[NH+](CCO)CC2)ncnc1N1CCC[N@@H+](CCO)CC1 ZINC000663549238 1073610884 /nfs/dbraw/zinc/61/08/84/1073610884.db2.gz NFLZDFHBCTWMOG-UHFFFAOYSA-N 2 1 378.521 -0.206 20 0 GBADMP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000663562256 1073613674 /nfs/dbraw/zinc/61/36/74/1073613674.db2.gz YGUGFSCXFXPHPY-KRWDZBQOSA-N 2 1 384.569 -0.080 20 0 GBADMP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000663562260 1073613922 /nfs/dbraw/zinc/61/39/22/1073613922.db2.gz YGUGFSCXFXPHPY-QGZVFWFLSA-N 2 1 384.569 -0.080 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663616435 1073625081 /nfs/dbraw/zinc/62/50/81/1073625081.db2.gz YZMNKJQCBDQXRV-FQEVSTJZSA-N 2 1 387.484 -0.190 20 0 GBADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663616436 1073625105 /nfs/dbraw/zinc/62/51/05/1073625105.db2.gz YZMNKJQCBDQXRV-HXUWFJFHSA-N 2 1 387.484 -0.190 20 0 GBADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000663664743 1073645481 /nfs/dbraw/zinc/64/54/81/1073645481.db2.gz SHNVUHYXWIOPKK-UHFFFAOYSA-N 2 1 398.552 -0.362 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812780 530162677 /nfs/dbraw/zinc/16/26/77/530162677.db2.gz RAWOKOYQTLMUHK-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812780 530162675 /nfs/dbraw/zinc/16/26/75/530162675.db2.gz RAWOKOYQTLMUHK-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812783 530162694 /nfs/dbraw/zinc/16/26/94/530162694.db2.gz RAWOKOYQTLMUHK-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000663812783 530162693 /nfs/dbraw/zinc/16/26/93/530162693.db2.gz RAWOKOYQTLMUHK-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP Cc1c(N2CC[NH+](CCO)[C@@H](C)C2)ncnc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000663822316 1073719842 /nfs/dbraw/zinc/71/98/42/1073719842.db2.gz AOFLSOVXDAELPO-HOTGVXAUSA-N 2 1 378.521 -0.209 20 0 GBADMP Cc1c(N2CC[NH+](CCO)[C@@H](C)C2)ncnc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000663822316 1073719830 /nfs/dbraw/zinc/71/98/30/1073719830.db2.gz AOFLSOVXDAELPO-HOTGVXAUSA-N 2 1 378.521 -0.209 20 0 GBADMP Cc1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000663822319 1073720873 /nfs/dbraw/zinc/72/08/73/1073720873.db2.gz AOFLSOVXDAELPO-HZPDHXFCSA-N 2 1 378.521 -0.209 20 0 GBADMP Cc1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000663822319 1073720865 /nfs/dbraw/zinc/72/08/65/1073720865.db2.gz AOFLSOVXDAELPO-HZPDHXFCSA-N 2 1 378.521 -0.209 20 0 GBADMP C[NH+](C)[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1O ZINC000663880373 1073856451 /nfs/dbraw/zinc/85/64/51/1073856451.db2.gz QIKMIGTWLZDDDZ-ROUUACIJSA-N 2 1 376.505 -0.090 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000663915734 1073864518 /nfs/dbraw/zinc/86/45/18/1073864518.db2.gz IMLGWAIQZKMWFG-INIZCTEOSA-N 2 1 398.552 -0.410 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000663915735 1073864905 /nfs/dbraw/zinc/86/49/05/1073864905.db2.gz IMLGWAIQZKMWFG-MRXNPFEDSA-N 2 1 398.552 -0.410 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000664062221 1073898981 /nfs/dbraw/zinc/89/89/81/1073898981.db2.gz DTRFBRRVORWLMD-UHFFFAOYSA-N 2 1 384.525 -0.800 20 0 GBADMP Cc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)c1F ZINC000664075217 1073912369 /nfs/dbraw/zinc/91/23/69/1073912369.db2.gz HNUZVNHILKPHLD-CAOSSQGBSA-N 2 1 392.479 -0.565 20 0 GBADMP Cc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)c1F ZINC000664075217 1073912364 /nfs/dbraw/zinc/91/23/64/1073912364.db2.gz HNUZVNHILKPHLD-CAOSSQGBSA-N 2 1 392.479 -0.565 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000664131444 1073923040 /nfs/dbraw/zinc/92/30/40/1073923040.db2.gz YBMYIBFPFDQYJO-INIZCTEOSA-N 2 1 382.553 -0.184 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000664131444 1073923034 /nfs/dbraw/zinc/92/30/34/1073923034.db2.gz YBMYIBFPFDQYJO-INIZCTEOSA-N 2 1 382.553 -0.184 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000664131448 1073922996 /nfs/dbraw/zinc/92/29/96/1073922996.db2.gz YBMYIBFPFDQYJO-MRXNPFEDSA-N 2 1 382.553 -0.184 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000664131448 1073922990 /nfs/dbraw/zinc/92/29/90/1073922990.db2.gz YBMYIBFPFDQYJO-MRXNPFEDSA-N 2 1 382.553 -0.184 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000664143210 1073926821 /nfs/dbraw/zinc/92/68/21/1073926821.db2.gz OOYWKECGRSOJFD-KRWDZBQOSA-N 2 1 398.552 -0.946 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000664143211 1073926458 /nfs/dbraw/zinc/92/64/58/1073926458.db2.gz OOYWKECGRSOJFD-QGZVFWFLSA-N 2 1 398.552 -0.946 20 0 GBADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664159950 1073940552 /nfs/dbraw/zinc/94/05/52/1073940552.db2.gz BURVTGAJEPISAH-IKGGRYGDSA-N 2 1 376.505 -0.092 20 0 GBADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664159956 1073940339 /nfs/dbraw/zinc/94/03/39/1073940339.db2.gz BURVTGAJEPISAH-ULQDDVLXSA-N 2 1 376.505 -0.092 20 0 GBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173402 1073967055 /nfs/dbraw/zinc/96/70/55/1073967055.db2.gz FAYOYZILQWBETH-DOTOQJQBSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173402 1073967051 /nfs/dbraw/zinc/96/70/51/1073967051.db2.gz FAYOYZILQWBETH-DOTOQJQBSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173402 1073967044 /nfs/dbraw/zinc/96/70/44/1073967044.db2.gz FAYOYZILQWBETH-DOTOQJQBSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173403 1073966937 /nfs/dbraw/zinc/96/69/37/1073966937.db2.gz FAYOYZILQWBETH-NVXWUHKLSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173403 1073966930 /nfs/dbraw/zinc/96/69/30/1073966930.db2.gz FAYOYZILQWBETH-NVXWUHKLSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173403 1073966925 /nfs/dbraw/zinc/96/69/25/1073966925.db2.gz FAYOYZILQWBETH-NVXWUHKLSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000664173404 1073966876 /nfs/dbraw/zinc/96/68/76/1073966876.db2.gz FAYOYZILQWBETH-RDJZCZTQSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000664173404 1073966870 /nfs/dbraw/zinc/96/68/70/1073966870.db2.gz FAYOYZILQWBETH-RDJZCZTQSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000664173404 1073966867 /nfs/dbraw/zinc/96/68/67/1073966867.db2.gz FAYOYZILQWBETH-RDJZCZTQSA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000664173405 1073966785 /nfs/dbraw/zinc/96/67/85/1073966785.db2.gz FAYOYZILQWBETH-WBVHZDCISA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000664173405 1073966783 /nfs/dbraw/zinc/96/67/83/1073966783.db2.gz FAYOYZILQWBETH-WBVHZDCISA-N 2 1 381.521 -0.186 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000664173405 1073966780 /nfs/dbraw/zinc/96/67/80/1073966780.db2.gz FAYOYZILQWBETH-WBVHZDCISA-N 2 1 381.521 -0.186 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000664174985 1073966265 /nfs/dbraw/zinc/96/62/65/1073966265.db2.gz NFKCQPFGVUTUOF-HNNXBMFYSA-N 2 1 384.525 -0.765 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000664174986 1073966305 /nfs/dbraw/zinc/96/63/05/1073966305.db2.gz NFKCQPFGVUTUOF-OAHLLOKOSA-N 2 1 384.525 -0.765 20 0 GBADMP CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664180068 1073970946 /nfs/dbraw/zinc/97/09/46/1073970946.db2.gz ZQVTXBXEVHWROK-INIZCTEOSA-N 2 1 398.552 -0.362 20 0 GBADMP CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664180068 1073970941 /nfs/dbraw/zinc/97/09/41/1073970941.db2.gz ZQVTXBXEVHWROK-INIZCTEOSA-N 2 1 398.552 -0.362 20 0 GBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664222510 1073985168 /nfs/dbraw/zinc/98/51/68/1073985168.db2.gz WECKSMHUTVIEQK-KRWDZBQOSA-N 2 1 384.569 -0.079 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664222512 1073985404 /nfs/dbraw/zinc/98/54/04/1073985404.db2.gz WECKSMHUTVIEQK-QGZVFWFLSA-N 2 1 384.569 -0.079 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000664518369 530164994 /nfs/dbraw/zinc/16/49/94/530164994.db2.gz NACBXHGTNMBNQL-GJZGRUSLSA-N 2 1 377.555 -0.161 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000664518369 530164992 /nfs/dbraw/zinc/16/49/92/530164992.db2.gz NACBXHGTNMBNQL-GJZGRUSLSA-N 2 1 377.555 -0.161 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000664518377 530165025 /nfs/dbraw/zinc/16/50/25/530165025.db2.gz NACBXHGTNMBNQL-LSDHHAIUSA-N 2 1 377.555 -0.161 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000664518377 530165023 /nfs/dbraw/zinc/16/50/23/530165023.db2.gz NACBXHGTNMBNQL-LSDHHAIUSA-N 2 1 377.555 -0.161 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000664521490 530164722 /nfs/dbraw/zinc/16/47/22/530164722.db2.gz XCAKMMRRZRRRRC-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000664521490 530164718 /nfs/dbraw/zinc/16/47/18/530164718.db2.gz XCAKMMRRZRRRRC-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016107 1073162048 /nfs/dbraw/zinc/16/20/48/1073162048.db2.gz MWNRWVBFZZHPPT-HNNXBMFYSA-N 2 1 392.570 -0.560 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016110 1073162070 /nfs/dbraw/zinc/16/20/70/1073162070.db2.gz MWNRWVBFZZHPPT-OAHLLOKOSA-N 2 1 392.570 -0.560 20 0 GBADMP CN(C(=O)NCCOCCS(N)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000665104030 1073178228 /nfs/dbraw/zinc/17/82/28/1073178228.db2.gz CGXIEINSZBUVRB-HNNXBMFYSA-N 2 1 391.538 -0.899 20 0 GBADMP CN(C(=O)NCCOCCS(N)(=O)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000665104031 1073178298 /nfs/dbraw/zinc/17/82/98/1073178298.db2.gz CGXIEINSZBUVRB-OAHLLOKOSA-N 2 1 391.538 -0.899 20 0 GBADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000665112290 1073182224 /nfs/dbraw/zinc/18/22/24/1073182224.db2.gz SXVNRLOZBCOMRY-UHFFFAOYSA-N 2 1 399.536 -0.471 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000665637356 1073497874 /nfs/dbraw/zinc/49/78/74/1073497874.db2.gz ANWFAJTTXBIHAT-INIZCTEOSA-N 2 1 382.553 -0.136 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000665637356 1073497868 /nfs/dbraw/zinc/49/78/68/1073497868.db2.gz ANWFAJTTXBIHAT-INIZCTEOSA-N 2 1 382.553 -0.136 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000665637541 530176601 /nfs/dbraw/zinc/17/66/01/530176601.db2.gz GPRZOPFKCBKVRS-HNNXBMFYSA-N 2 1 377.555 -0.065 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000665637541 530176600 /nfs/dbraw/zinc/17/66/00/530176600.db2.gz GPRZOPFKCBKVRS-HNNXBMFYSA-N 2 1 377.555 -0.065 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000665637635 1073497608 /nfs/dbraw/zinc/49/76/08/1073497608.db2.gz JPTFTHWOGGTYPM-HNNXBMFYSA-N 2 1 392.570 -0.608 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000665638011 530176651 /nfs/dbraw/zinc/17/66/51/530176651.db2.gz WCMWJIMJAPPTJK-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000665638011 530176649 /nfs/dbraw/zinc/17/66/49/530176649.db2.gz WCMWJIMJAPPTJK-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000665638012 530176472 /nfs/dbraw/zinc/17/64/72/530176472.db2.gz WCMWJIMJAPPTJK-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000665638012 530176468 /nfs/dbraw/zinc/17/64/68/530176468.db2.gz WCMWJIMJAPPTJK-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665638030 1073498048 /nfs/dbraw/zinc/49/80/48/1073498048.db2.gz WRMXXEBIHKZLAD-INIZCTEOSA-N 2 1 398.552 -0.363 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000665639208 1073497697 /nfs/dbraw/zinc/49/76/97/1073497697.db2.gz PWLORPYPDPPSRT-HNNXBMFYSA-N 2 1 396.536 -0.609 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000665639208 1073497692 /nfs/dbraw/zinc/49/76/92/1073497692.db2.gz PWLORPYPDPPSRT-HNNXBMFYSA-N 2 1 396.536 -0.609 20 0 GBADMP CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757534 530090012 /nfs/dbraw/zinc/09/00/12/530090012.db2.gz NEFJDTYRIITZAO-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757534 530090011 /nfs/dbraw/zinc/09/00/11/530090011.db2.gz NEFJDTYRIITZAO-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665757535 530090272 /nfs/dbraw/zinc/09/02/72/530090272.db2.gz NEFJDTYRIITZAO-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665757535 530090271 /nfs/dbraw/zinc/09/02/71/530090271.db2.gz NEFJDTYRIITZAO-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665757654 530090322 /nfs/dbraw/zinc/09/03/22/530090322.db2.gz RHRABLVTHRVKNX-AWEZNQCLSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665757654 530090320 /nfs/dbraw/zinc/09/03/20/530090320.db2.gz RHRABLVTHRVKNX-AWEZNQCLSA-N 2 1 377.555 -0.018 20 0 GBADMP C[NH+]1CCC(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)(N2CCOCC2)CC1 ZINC000665758390 1073515888 /nfs/dbraw/zinc/51/58/88/1073515888.db2.gz HORVFNLUHQUHKD-UHFFFAOYSA-N 2 1 397.564 -0.119 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000665759426 530090557 /nfs/dbraw/zinc/09/05/57/530090557.db2.gz GLZYHFOPRNUZMS-HNNXBMFYSA-N 2 1 377.555 -0.065 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000665759426 530090554 /nfs/dbraw/zinc/09/05/54/530090554.db2.gz GLZYHFOPRNUZMS-HNNXBMFYSA-N 2 1 377.555 -0.065 20 0 GBADMP CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCN2C1=O ZINC000665759471 1073515504 /nfs/dbraw/zinc/51/55/04/1073515504.db2.gz IEDRXUKNKDFPKR-GJZGRUSLSA-N 2 1 382.509 -0.064 20 0 GBADMP CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCN2C1=O ZINC000665759471 1073515492 /nfs/dbraw/zinc/51/54/92/1073515492.db2.gz IEDRXUKNKDFPKR-GJZGRUSLSA-N 2 1 382.509 -0.064 20 0 GBADMP CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCN2C1=O ZINC000665759472 1073516246 /nfs/dbraw/zinc/51/62/46/1073516246.db2.gz IEDRXUKNKDFPKR-LSDHHAIUSA-N 2 1 382.509 -0.064 20 0 GBADMP CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCN2C1=O ZINC000665759472 1073516233 /nfs/dbraw/zinc/51/62/33/1073516233.db2.gz IEDRXUKNKDFPKR-LSDHHAIUSA-N 2 1 382.509 -0.064 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000665759936 1073516027 /nfs/dbraw/zinc/51/60/27/1073516027.db2.gz UOSYUHOHSMHRFK-INIZCTEOSA-N 2 1 393.536 -0.116 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000665759936 1073516008 /nfs/dbraw/zinc/51/60/08/1073516008.db2.gz UOSYUHOHSMHRFK-INIZCTEOSA-N 2 1 393.536 -0.116 20 0 GBADMP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665760049 530090617 /nfs/dbraw/zinc/09/06/17/530090617.db2.gz XSOJKYCEGJQQLK-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665760049 530090616 /nfs/dbraw/zinc/09/06/16/530090616.db2.gz XSOJKYCEGJQQLK-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665760050 530090867 /nfs/dbraw/zinc/09/08/67/530090867.db2.gz XSOJKYCEGJQQLK-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665760050 530090866 /nfs/dbraw/zinc/09/08/66/530090866.db2.gz XSOJKYCEGJQQLK-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665760292 530091051 /nfs/dbraw/zinc/09/10/51/530091051.db2.gz FKOCFPVUKXGNTI-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665760292 530091050 /nfs/dbraw/zinc/09/10/50/530091050.db2.gz FKOCFPVUKXGNTI-GJZGRUSLSA-N 2 1 377.555 -0.018 20 0 GBADMP CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665760293 530091232 /nfs/dbraw/zinc/09/12/32/530091232.db2.gz FKOCFPVUKXGNTI-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665760293 530091231 /nfs/dbraw/zinc/09/12/31/530091231.db2.gz FKOCFPVUKXGNTI-LSDHHAIUSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000665760436 1073516103 /nfs/dbraw/zinc/51/61/03/1073516103.db2.gz IVTHOSMQSMQGTD-AWEZNQCLSA-N 2 1 382.509 -0.016 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000665760436 1073516089 /nfs/dbraw/zinc/51/60/89/1073516089.db2.gz IVTHOSMQSMQGTD-AWEZNQCLSA-N 2 1 382.509 -0.016 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000665760464 530091112 /nfs/dbraw/zinc/09/11/12/530091112.db2.gz JCKIWWBILLLUQJ-GJZGRUSLSA-N 2 1 377.555 -0.066 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000665760464 530091110 /nfs/dbraw/zinc/09/11/10/530091110.db2.gz JCKIWWBILLLUQJ-GJZGRUSLSA-N 2 1 377.555 -0.066 20 0 GBADMP CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665763107 1073515781 /nfs/dbraw/zinc/51/57/81/1073515781.db2.gz YYSLOQXQVJNPGL-AWEZNQCLSA-N 2 1 392.570 -0.514 20 0 GBADMP CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665763107 1073515769 /nfs/dbraw/zinc/51/57/69/1073515769.db2.gz YYSLOQXQVJNPGL-AWEZNQCLSA-N 2 1 392.570 -0.514 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000665763208 530092100 /nfs/dbraw/zinc/09/21/00/530092100.db2.gz ZXCVPNLLJXMECT-GJZGRUSLSA-N 2 1 377.555 -0.066 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000665763208 530092097 /nfs/dbraw/zinc/09/20/97/530092097.db2.gz ZXCVPNLLJXMECT-GJZGRUSLSA-N 2 1 377.555 -0.066 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000665763209 530092140 /nfs/dbraw/zinc/09/21/40/530092140.db2.gz ZXCVPNLLJXMECT-LSDHHAIUSA-N 2 1 377.555 -0.066 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000665763209 530092138 /nfs/dbraw/zinc/09/21/38/530092138.db2.gz ZXCVPNLLJXMECT-LSDHHAIUSA-N 2 1 377.555 -0.066 20 0 GBADMP CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665763675 637409363 /nfs/dbraw/zinc/40/93/63/637409363.db2.gz IVEZPDQJBGGIRC-AWEZNQCLSA-N 2 1 378.543 -0.950 20 0 GBADMP CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665763675 637409358 /nfs/dbraw/zinc/40/93/58/637409358.db2.gz IVEZPDQJBGGIRC-AWEZNQCLSA-N 2 1 378.543 -0.950 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000665763692 637409268 /nfs/dbraw/zinc/40/92/68/637409268.db2.gz JCKIWWBILLLUQJ-LSDHHAIUSA-N 2 1 377.555 -0.066 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000665763692 637409263 /nfs/dbraw/zinc/40/92/63/637409263.db2.gz JCKIWWBILLLUQJ-LSDHHAIUSA-N 2 1 377.555 -0.066 20 0 GBADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CCO1 ZINC000668512591 1072203029 /nfs/dbraw/zinc/20/30/29/1072203029.db2.gz SPMZFXCRHLPMCY-SFHVURJKSA-N 2 1 397.564 -0.301 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCOCC1 ZINC000668728197 1072541392 /nfs/dbraw/zinc/54/13/92/1072541392.db2.gz MIWJWWQHLRVXKB-NVXWUHKLSA-N 2 1 382.505 -0.872 20 0 GBADMP C[C@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C[NH+]1CCOCC1 ZINC000668728197 1072541383 /nfs/dbraw/zinc/54/13/83/1072541383.db2.gz MIWJWWQHLRVXKB-NVXWUHKLSA-N 2 1 382.505 -0.872 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668786505 1072873346 /nfs/dbraw/zinc/87/33/46/1072873346.db2.gz BTCTYIUFEXMWGO-IAGOWNOFSA-N 2 1 382.505 -0.417 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668787557 1072878180 /nfs/dbraw/zinc/87/81/80/1072878180.db2.gz STRVQQNZDWGCCC-IAGOWNOFSA-N 2 1 384.521 -0.217 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668787560 1072877654 /nfs/dbraw/zinc/87/76/54/1072877654.db2.gz STRVQQNZDWGCCC-SJORKVTESA-N 2 1 384.521 -0.217 20 0 GBADMP C[NH+]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000669624811 530344081 /nfs/dbraw/zinc/34/40/81/530344081.db2.gz CLQJDKWFTIRWPG-GJZGRUSLSA-N 2 1 396.579 -0.596 20 0 GBADMP C[NH+]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000669624811 530344079 /nfs/dbraw/zinc/34/40/79/530344079.db2.gz CLQJDKWFTIRWPG-GJZGRUSLSA-N 2 1 396.579 -0.596 20 0 GBADMP C[NH+]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000669624812 530343783 /nfs/dbraw/zinc/34/37/83/530343783.db2.gz CLQJDKWFTIRWPG-HUUCEWRRSA-N 2 1 396.579 -0.596 20 0 GBADMP C[NH+]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000669624812 530343782 /nfs/dbraw/zinc/34/37/82/530343782.db2.gz CLQJDKWFTIRWPG-HUUCEWRRSA-N 2 1 396.579 -0.596 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671172807 1073909677 /nfs/dbraw/zinc/90/96/77/1073909677.db2.gz CCAPBSAXFQNSOY-AEFFLSMTSA-N 2 1 379.549 -0.023 20 0 GBADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671172807 1073909669 /nfs/dbraw/zinc/90/96/69/1073909669.db2.gz CCAPBSAXFQNSOY-AEFFLSMTSA-N 2 1 379.549 -0.023 20 0 GBADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671172807 1073909662 /nfs/dbraw/zinc/90/96/62/1073909662.db2.gz CCAPBSAXFQNSOY-AEFFLSMTSA-N 2 1 379.549 -0.023 20 0 GBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671172808 1073909395 /nfs/dbraw/zinc/90/93/95/1073909395.db2.gz CCAPBSAXFQNSOY-FUHWJXTLSA-N 2 1 379.549 -0.023 20 0 GBADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671172808 1073909391 /nfs/dbraw/zinc/90/93/91/1073909391.db2.gz CCAPBSAXFQNSOY-FUHWJXTLSA-N 2 1 379.549 -0.023 20 0 GBADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000671172808 1073909386 /nfs/dbraw/zinc/90/93/86/1073909386.db2.gz CCAPBSAXFQNSOY-FUHWJXTLSA-N 2 1 379.549 -0.023 20 0 GBADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981742 1072474952 /nfs/dbraw/zinc/47/49/52/1072474952.db2.gz PLIJMTKRXXFYRJ-CVEARBPZSA-N 2 1 381.521 -0.321 20 0 GBADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007753 1072450120 /nfs/dbraw/zinc/45/01/20/1072450120.db2.gz MFFHWRJGSNKVGP-DOTOQJQBSA-N 2 1 395.548 -0.108 20 0 GBADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007761 1072450241 /nfs/dbraw/zinc/45/02/41/1072450241.db2.gz MFFHWRJGSNKVGP-RDJZCZTQSA-N 2 1 395.548 -0.108 20 0 GBADMP C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007762 1072450557 /nfs/dbraw/zinc/45/05/57/1072450557.db2.gz MFFHWRJGSNKVGP-WBVHZDCISA-N 2 1 395.548 -0.108 20 0 GBADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000685112635 1072450315 /nfs/dbraw/zinc/45/03/15/1072450315.db2.gz GHIDCMSSERZIDF-INIZCTEOSA-N 2 1 395.548 -0.060 20 0 GBADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000685112637 1072450221 /nfs/dbraw/zinc/45/02/21/1072450221.db2.gz GHIDCMSSERZIDF-MRXNPFEDSA-N 2 1 395.548 -0.060 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277199 1072538245 /nfs/dbraw/zinc/53/82/45/1072538245.db2.gz YCLPCTTZRPLLMF-JFIYKMOQSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277199 1072538241 /nfs/dbraw/zinc/53/82/41/1072538241.db2.gz YCLPCTTZRPLLMF-JFIYKMOQSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000685277199 1072538235 /nfs/dbraw/zinc/53/82/35/1072538235.db2.gz YCLPCTTZRPLLMF-JFIYKMOQSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277200 1072538198 /nfs/dbraw/zinc/53/81/98/1072538198.db2.gz YCLPCTTZRPLLMF-NUJGCVRESA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277200 1072538194 /nfs/dbraw/zinc/53/81/94/1072538194.db2.gz YCLPCTTZRPLLMF-NUJGCVRESA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000685277200 1072538185 /nfs/dbraw/zinc/53/81/85/1072538185.db2.gz YCLPCTTZRPLLMF-NUJGCVRESA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277201 1072538674 /nfs/dbraw/zinc/53/86/74/1072538674.db2.gz YCLPCTTZRPLLMF-RYRKJORJSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277201 1072538660 /nfs/dbraw/zinc/53/86/60/1072538660.db2.gz YCLPCTTZRPLLMF-RYRKJORJSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000685277201 1072538648 /nfs/dbraw/zinc/53/86/48/1072538648.db2.gz YCLPCTTZRPLLMF-RYRKJORJSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277202 1072538902 /nfs/dbraw/zinc/53/89/02/1072538902.db2.gz YCLPCTTZRPLLMF-SOLBZPMBSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH+]1C1CC1 ZINC000685277202 1072538896 /nfs/dbraw/zinc/53/88/96/1072538896.db2.gz YCLPCTTZRPLLMF-SOLBZPMBSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@H+]1C1CC1 ZINC000685277202 1072538890 /nfs/dbraw/zinc/53/88/90/1072538890.db2.gz YCLPCTTZRPLLMF-SOLBZPMBSA-N 2 1 377.533 -0.034 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000685301629 1072555828 /nfs/dbraw/zinc/55/58/28/1072555828.db2.gz SWFBZFIAAYYJEZ-DJIMGWMZSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000685301629 1072555819 /nfs/dbraw/zinc/55/58/19/1072555819.db2.gz SWFBZFIAAYYJEZ-DJIMGWMZSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000685301629 1072555812 /nfs/dbraw/zinc/55/58/12/1072555812.db2.gz SWFBZFIAAYYJEZ-DJIMGWMZSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000685301632 1072555725 /nfs/dbraw/zinc/55/57/25/1072555725.db2.gz SWFBZFIAAYYJEZ-HYVNUMGLSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000685301632 1072555714 /nfs/dbraw/zinc/55/57/14/1072555714.db2.gz SWFBZFIAAYYJEZ-HYVNUMGLSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000685301632 1072555706 /nfs/dbraw/zinc/55/57/06/1072555706.db2.gz SWFBZFIAAYYJEZ-HYVNUMGLSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000685301634 1072555554 /nfs/dbraw/zinc/55/55/54/1072555554.db2.gz SWFBZFIAAYYJEZ-OIISXLGYSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000685301634 1072555546 /nfs/dbraw/zinc/55/55/46/1072555546.db2.gz SWFBZFIAAYYJEZ-OIISXLGYSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000685301634 1072555541 /nfs/dbraw/zinc/55/55/41/1072555541.db2.gz SWFBZFIAAYYJEZ-OIISXLGYSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000685301636 1072557028 /nfs/dbraw/zinc/55/70/28/1072557028.db2.gz SWFBZFIAAYYJEZ-PVAVHDDUSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000685301636 1072557025 /nfs/dbraw/zinc/55/70/25/1072557025.db2.gz SWFBZFIAAYYJEZ-PVAVHDDUSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000685301636 1072557023 /nfs/dbraw/zinc/55/70/23/1072557023.db2.gz SWFBZFIAAYYJEZ-PVAVHDDUSA-N 2 1 391.516 -0.650 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309065 1072562163 /nfs/dbraw/zinc/56/21/63/1072562163.db2.gz HAFQOEKNGLSYRQ-BPQIPLTHSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685309065 1072562155 /nfs/dbraw/zinc/56/21/55/1072562155.db2.gz HAFQOEKNGLSYRQ-BPQIPLTHSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000685309065 1072562148 /nfs/dbraw/zinc/56/21/48/1072562148.db2.gz HAFQOEKNGLSYRQ-BPQIPLTHSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309069 1072562737 /nfs/dbraw/zinc/56/27/37/1072562737.db2.gz HAFQOEKNGLSYRQ-KBAYOESNSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685309069 1072562731 /nfs/dbraw/zinc/56/27/31/1072562731.db2.gz HAFQOEKNGLSYRQ-KBAYOESNSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000685309069 1072562723 /nfs/dbraw/zinc/56/27/23/1072562723.db2.gz HAFQOEKNGLSYRQ-KBAYOESNSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309070 1072562918 /nfs/dbraw/zinc/56/29/18/1072562918.db2.gz HAFQOEKNGLSYRQ-NJAFHUGGSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685309070 1072562908 /nfs/dbraw/zinc/56/29/08/1072562908.db2.gz HAFQOEKNGLSYRQ-NJAFHUGGSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000685309070 1072562903 /nfs/dbraw/zinc/56/29/03/1072562903.db2.gz HAFQOEKNGLSYRQ-NJAFHUGGSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685309071 1072562994 /nfs/dbraw/zinc/56/29/94/1072562994.db2.gz HAFQOEKNGLSYRQ-NXHRZFHOSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685309071 1072562983 /nfs/dbraw/zinc/56/29/83/1072562983.db2.gz HAFQOEKNGLSYRQ-NXHRZFHOSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000685309071 1072562974 /nfs/dbraw/zinc/56/29/74/1072562974.db2.gz HAFQOEKNGLSYRQ-NXHRZFHOSA-N 2 1 377.533 -0.176 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337396 1072585952 /nfs/dbraw/zinc/58/59/52/1072585952.db2.gz LHDYJTZHDURLIB-BZSNNMDCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337396 1072585940 /nfs/dbraw/zinc/58/59/40/1072585940.db2.gz LHDYJTZHDURLIB-BZSNNMDCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685337396 1072585927 /nfs/dbraw/zinc/58/59/27/1072585927.db2.gz LHDYJTZHDURLIB-BZSNNMDCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685337396 1072585910 /nfs/dbraw/zinc/58/59/10/1072585910.db2.gz LHDYJTZHDURLIB-BZSNNMDCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337403 1072585261 /nfs/dbraw/zinc/58/52/61/1072585261.db2.gz LHDYJTZHDURLIB-KSZLIROESA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685337403 1072585255 /nfs/dbraw/zinc/58/52/55/1072585255.db2.gz LHDYJTZHDURLIB-KSZLIROESA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685337403 1072585247 /nfs/dbraw/zinc/58/52/47/1072585247.db2.gz LHDYJTZHDURLIB-KSZLIROESA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685337403 1072585236 /nfs/dbraw/zinc/58/52/36/1072585236.db2.gz LHDYJTZHDURLIB-KSZLIROESA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337404 1072585543 /nfs/dbraw/zinc/58/55/43/1072585543.db2.gz LHDYJTZHDURLIB-OKZBNKHCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337404 1072585538 /nfs/dbraw/zinc/58/55/38/1072585538.db2.gz LHDYJTZHDURLIB-OKZBNKHCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685337404 1072585531 /nfs/dbraw/zinc/58/55/31/1072585531.db2.gz LHDYJTZHDURLIB-OKZBNKHCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685337404 1072585527 /nfs/dbraw/zinc/58/55/27/1072585527.db2.gz LHDYJTZHDURLIB-OKZBNKHCSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685337406 1072585369 /nfs/dbraw/zinc/58/53/69/1072585369.db2.gz LHDYJTZHDURLIB-RCCFBDPRSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685337406 1072585358 /nfs/dbraw/zinc/58/53/58/1072585358.db2.gz LHDYJTZHDURLIB-RCCFBDPRSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685337406 1072585348 /nfs/dbraw/zinc/58/53/48/1072585348.db2.gz LHDYJTZHDURLIB-RCCFBDPRSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685337406 1072585337 /nfs/dbraw/zinc/58/53/37/1072585337.db2.gz LHDYJTZHDURLIB-RCCFBDPRSA-N 2 1 395.548 -0.550 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338688 1072585630 /nfs/dbraw/zinc/58/56/30/1072585630.db2.gz DOEOUQYJWPQBCG-BDXSIMOUSA-N 2 1 395.548 -0.694 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338688 1072585625 /nfs/dbraw/zinc/58/56/25/1072585625.db2.gz DOEOUQYJWPQBCG-BDXSIMOUSA-N 2 1 395.548 -0.694 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338689 1072586195 /nfs/dbraw/zinc/58/61/95/1072586195.db2.gz DOEOUQYJWPQBCG-BRSBDYLESA-N 2 1 395.548 -0.694 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685338689 1072586190 /nfs/dbraw/zinc/58/61/90/1072586190.db2.gz DOEOUQYJWPQBCG-BRSBDYLESA-N 2 1 395.548 -0.694 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338690 1072585173 /nfs/dbraw/zinc/58/51/73/1072585173.db2.gz DOEOUQYJWPQBCG-TVFCKZIOSA-N 2 1 395.548 -0.694 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338690 1072585162 /nfs/dbraw/zinc/58/51/62/1072585162.db2.gz DOEOUQYJWPQBCG-TVFCKZIOSA-N 2 1 395.548 -0.694 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338691 1072586244 /nfs/dbraw/zinc/58/62/44/1072586244.db2.gz DOEOUQYJWPQBCG-ZJPYXAASSA-N 2 1 395.548 -0.694 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685338691 1072586241 /nfs/dbraw/zinc/58/62/41/1072586241.db2.gz DOEOUQYJWPQBCG-ZJPYXAASSA-N 2 1 395.548 -0.694 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339327 1072580916 /nfs/dbraw/zinc/58/09/16/1072580916.db2.gz IXQVNKOVCYAKFG-PBHICJAKSA-N 2 1 391.472 -0.426 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685339327 1072580906 /nfs/dbraw/zinc/58/09/06/1072580906.db2.gz IXQVNKOVCYAKFG-PBHICJAKSA-N 2 1 391.472 -0.426 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339328 1072581227 /nfs/dbraw/zinc/58/12/27/1072581227.db2.gz IXQVNKOVCYAKFG-RHSMWYFYSA-N 2 1 391.472 -0.426 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685339328 1072581217 /nfs/dbraw/zinc/58/12/17/1072581217.db2.gz IXQVNKOVCYAKFG-RHSMWYFYSA-N 2 1 391.472 -0.426 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339329 1072580263 /nfs/dbraw/zinc/58/02/63/1072580263.db2.gz IXQVNKOVCYAKFG-WMLDXEAASA-N 2 1 391.472 -0.426 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685339329 1072580254 /nfs/dbraw/zinc/58/02/54/1072580254.db2.gz IXQVNKOVCYAKFG-WMLDXEAASA-N 2 1 391.472 -0.426 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685339330 1072580409 /nfs/dbraw/zinc/58/04/09/1072580409.db2.gz IXQVNKOVCYAKFG-YOEHRIQHSA-N 2 1 391.472 -0.426 20 0 GBADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685339330 1072580403 /nfs/dbraw/zinc/58/04/03/1072580403.db2.gz IXQVNKOVCYAKFG-YOEHRIQHSA-N 2 1 391.472 -0.426 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339393 1072581113 /nfs/dbraw/zinc/58/11/13/1072581113.db2.gz JKUMOFXNHHNYQR-AEFFLSMTSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339393 1072581108 /nfs/dbraw/zinc/58/11/08/1072581108.db2.gz JKUMOFXNHHNYQR-AEFFLSMTSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339394 1072581329 /nfs/dbraw/zinc/58/13/29/1072581329.db2.gz JKUMOFXNHHNYQR-FUHWJXTLSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339394 1072581321 /nfs/dbraw/zinc/58/13/21/1072581321.db2.gz JKUMOFXNHHNYQR-FUHWJXTLSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339396 1072580168 /nfs/dbraw/zinc/58/01/68/1072580168.db2.gz JKUMOFXNHHNYQR-SJLPKXTDSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339396 1072580162 /nfs/dbraw/zinc/58/01/62/1072580162.db2.gz JKUMOFXNHHNYQR-SJLPKXTDSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339398 1072581136 /nfs/dbraw/zinc/58/11/36/1072581136.db2.gz JKUMOFXNHHNYQR-WMZOPIPTSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339398 1072581125 /nfs/dbraw/zinc/58/11/25/1072581125.db2.gz JKUMOFXNHHNYQR-WMZOPIPTSA-N 2 1 396.532 -0.075 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341395 1072584430 /nfs/dbraw/zinc/58/44/30/1072584430.db2.gz JPYGNMZAKJFPQJ-AEFFLSMTSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341395 1072584424 /nfs/dbraw/zinc/58/44/24/1072584424.db2.gz JPYGNMZAKJFPQJ-AEFFLSMTSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341397 1072584196 /nfs/dbraw/zinc/58/41/96/1072584196.db2.gz JPYGNMZAKJFPQJ-FUHWJXTLSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341397 1072584186 /nfs/dbraw/zinc/58/41/86/1072584186.db2.gz JPYGNMZAKJFPQJ-FUHWJXTLSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685341399 1072583675 /nfs/dbraw/zinc/58/36/75/1072583675.db2.gz JPYGNMZAKJFPQJ-SJLPKXTDSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685341399 1072583662 /nfs/dbraw/zinc/58/36/62/1072583662.db2.gz JPYGNMZAKJFPQJ-SJLPKXTDSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341401 1072583945 /nfs/dbraw/zinc/58/39/45/1072583945.db2.gz JPYGNMZAKJFPQJ-WMZOPIPTSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685341401 1072583940 /nfs/dbraw/zinc/58/39/40/1072583940.db2.gz JPYGNMZAKJFPQJ-WMZOPIPTSA-N 2 1 395.548 -0.692 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343114 1072586731 /nfs/dbraw/zinc/58/67/31/1072586731.db2.gz LBGHCLSOTKMVHH-DOTOQJQBSA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343114 1072586726 /nfs/dbraw/zinc/58/67/26/1072586726.db2.gz LBGHCLSOTKMVHH-DOTOQJQBSA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343115 1072587218 /nfs/dbraw/zinc/58/72/18/1072587218.db2.gz LBGHCLSOTKMVHH-NVXWUHKLSA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343115 1072587210 /nfs/dbraw/zinc/58/72/10/1072587210.db2.gz LBGHCLSOTKMVHH-NVXWUHKLSA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343116 1072587678 /nfs/dbraw/zinc/58/76/78/1072587678.db2.gz LBGHCLSOTKMVHH-RDJZCZTQSA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343116 1072587674 /nfs/dbraw/zinc/58/76/74/1072587674.db2.gz LBGHCLSOTKMVHH-RDJZCZTQSA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343117 1072587623 /nfs/dbraw/zinc/58/76/23/1072587623.db2.gz LBGHCLSOTKMVHH-WBVHZDCISA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343117 1072587617 /nfs/dbraw/zinc/58/76/17/1072587617.db2.gz LBGHCLSOTKMVHH-WBVHZDCISA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343616 1072587651 /nfs/dbraw/zinc/58/76/51/1072587651.db2.gz NLYYXNVUOLWIQS-BBWFWOEESA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343616 1072587647 /nfs/dbraw/zinc/58/76/47/1072587647.db2.gz NLYYXNVUOLWIQS-BBWFWOEESA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685343616 1072587644 /nfs/dbraw/zinc/58/76/44/1072587644.db2.gz NLYYXNVUOLWIQS-BBWFWOEESA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685343616 1072587639 /nfs/dbraw/zinc/58/76/39/1072587639.db2.gz NLYYXNVUOLWIQS-BBWFWOEESA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343621 1072586600 /nfs/dbraw/zinc/58/66/00/1072586600.db2.gz NLYYXNVUOLWIQS-GVDBMIGSSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343621 1072586588 /nfs/dbraw/zinc/58/65/88/1072586588.db2.gz NLYYXNVUOLWIQS-GVDBMIGSSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685343621 1072586578 /nfs/dbraw/zinc/58/65/78/1072586578.db2.gz NLYYXNVUOLWIQS-GVDBMIGSSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685343621 1072586569 /nfs/dbraw/zinc/58/65/69/1072586569.db2.gz NLYYXNVUOLWIQS-GVDBMIGSSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343623 1072587740 /nfs/dbraw/zinc/58/77/40/1072587740.db2.gz NLYYXNVUOLWIQS-ULQDDVLXSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343623 1072587734 /nfs/dbraw/zinc/58/77/34/1072587734.db2.gz NLYYXNVUOLWIQS-ULQDDVLXSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685343623 1072587731 /nfs/dbraw/zinc/58/77/31/1072587731.db2.gz NLYYXNVUOLWIQS-ULQDDVLXSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685343623 1072587729 /nfs/dbraw/zinc/58/77/29/1072587729.db2.gz NLYYXNVUOLWIQS-ULQDDVLXSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343625 1072586811 /nfs/dbraw/zinc/58/68/11/1072586811.db2.gz NLYYXNVUOLWIQS-YESZJQIVSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343625 1072586803 /nfs/dbraw/zinc/58/68/03/1072586803.db2.gz NLYYXNVUOLWIQS-YESZJQIVSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685343625 1072586790 /nfs/dbraw/zinc/58/67/90/1072586790.db2.gz NLYYXNVUOLWIQS-YESZJQIVSA-N 2 1 381.521 -0.940 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685343625 1072586779 /nfs/dbraw/zinc/58/67/79/1072586779.db2.gz NLYYXNVUOLWIQS-YESZJQIVSA-N 2 1 381.521 -0.940 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685343892 1072588976 /nfs/dbraw/zinc/58/89/76/1072588976.db2.gz PRWZTWQIXSBASJ-BBWFWOEESA-N 2 1 384.521 -0.219 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685343892 1072588969 /nfs/dbraw/zinc/58/89/69/1072588969.db2.gz PRWZTWQIXSBASJ-BBWFWOEESA-N 2 1 384.521 -0.219 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685343893 1072589192 /nfs/dbraw/zinc/58/91/92/1072589192.db2.gz PRWZTWQIXSBASJ-BRWVUGGUSA-N 2 1 384.521 -0.219 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685343893 1072589181 /nfs/dbraw/zinc/58/91/81/1072589181.db2.gz PRWZTWQIXSBASJ-BRWVUGGUSA-N 2 1 384.521 -0.219 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000685343894 1072588749 /nfs/dbraw/zinc/58/87/49/1072588749.db2.gz PRWZTWQIXSBASJ-GVDBMIGSSA-N 2 1 384.521 -0.219 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000685343894 1072588740 /nfs/dbraw/zinc/58/87/40/1072588740.db2.gz PRWZTWQIXSBASJ-GVDBMIGSSA-N 2 1 384.521 -0.219 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000685343895 1072588241 /nfs/dbraw/zinc/58/82/41/1072588241.db2.gz PRWZTWQIXSBASJ-ZACQAIPSSA-N 2 1 384.521 -0.219 20 0 GBADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000685343895 1072588229 /nfs/dbraw/zinc/58/82/29/1072588229.db2.gz PRWZTWQIXSBASJ-ZACQAIPSSA-N 2 1 384.521 -0.219 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444463 1072595534 /nfs/dbraw/zinc/59/55/34/1072595534.db2.gz UJULGPJXIVYVQP-AEFFLSMTSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444463 1072595525 /nfs/dbraw/zinc/59/55/25/1072595525.db2.gz UJULGPJXIVYVQP-AEFFLSMTSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444463 1072595515 /nfs/dbraw/zinc/59/55/15/1072595515.db2.gz UJULGPJXIVYVQP-AEFFLSMTSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444464 1072595577 /nfs/dbraw/zinc/59/55/77/1072595577.db2.gz UJULGPJXIVYVQP-FUHWJXTLSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444464 1072595564 /nfs/dbraw/zinc/59/55/64/1072595564.db2.gz UJULGPJXIVYVQP-FUHWJXTLSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444464 1072595556 /nfs/dbraw/zinc/59/55/56/1072595556.db2.gz UJULGPJXIVYVQP-FUHWJXTLSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444465 1072595061 /nfs/dbraw/zinc/59/50/61/1072595061.db2.gz UJULGPJXIVYVQP-SJLPKXTDSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444465 1072595049 /nfs/dbraw/zinc/59/50/49/1072595049.db2.gz UJULGPJXIVYVQP-SJLPKXTDSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444465 1072595042 /nfs/dbraw/zinc/59/50/42/1072595042.db2.gz UJULGPJXIVYVQP-SJLPKXTDSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444466 1072595358 /nfs/dbraw/zinc/59/53/58/1072595358.db2.gz UJULGPJXIVYVQP-WMZOPIPTSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444466 1072595352 /nfs/dbraw/zinc/59/53/52/1072595352.db2.gz UJULGPJXIVYVQP-WMZOPIPTSA-N 2 1 377.533 -0.009 20 0 GBADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444466 1072595348 /nfs/dbraw/zinc/59/53/48/1072595348.db2.gz UJULGPJXIVYVQP-WMZOPIPTSA-N 2 1 377.533 -0.009 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCNS(C)(=O)=O ZINC000727084961 637395495 /nfs/dbraw/zinc/39/54/95/637395495.db2.gz PEFXRXOHGQMOKT-AWEZNQCLSA-N 2 1 379.596 -0.242 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCCNS(C)(=O)=O ZINC000727084962 637395366 /nfs/dbraw/zinc/39/53/66/637395366.db2.gz PEFXRXOHGQMOKT-CQSZACIVSA-N 2 1 379.596 -0.242 20 0 GBADMP CCOC(=O)C1=C(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)NC(=O)N[C@@H]1C ZINC000728926012 1073777640 /nfs/dbraw/zinc/77/76/40/1073777640.db2.gz UDARLGDTSUBOKH-CYBMUJFWSA-N 2 1 395.504 -0.105 20 0 GBADMP CCOC(=O)C1=C(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)NC(=O)N[C@H]1C ZINC000728926013 1073777400 /nfs/dbraw/zinc/77/74/00/1073777400.db2.gz UDARLGDTSUBOKH-ZDUSSCGKSA-N 2 1 395.504 -0.105 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625732 1073942913 /nfs/dbraw/zinc/94/29/13/1073942913.db2.gz MQDPRQQTTQUMMW-GDBMZVCRSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625732 1073942904 /nfs/dbraw/zinc/94/29/04/1073942904.db2.gz MQDPRQQTTQUMMW-GDBMZVCRSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625738 1073942972 /nfs/dbraw/zinc/94/29/72/1073942972.db2.gz MQDPRQQTTQUMMW-GOEBONIOSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625738 1073942969 /nfs/dbraw/zinc/94/29/69/1073942969.db2.gz MQDPRQQTTQUMMW-GOEBONIOSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625739 1073943517 /nfs/dbraw/zinc/94/35/17/1073943517.db2.gz MQDPRQQTTQUMMW-HOCLYGCPSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625739 1073943511 /nfs/dbraw/zinc/94/35/11/1073943511.db2.gz MQDPRQQTTQUMMW-HOCLYGCPSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625742 1073942736 /nfs/dbraw/zinc/94/27/36/1073942736.db2.gz MQDPRQQTTQUMMW-ZBFHGGJFSA-N 2 1 379.505 -0.615 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000729625742 1073942723 /nfs/dbraw/zinc/94/27/23/1073942723.db2.gz MQDPRQQTTQUMMW-ZBFHGGJFSA-N 2 1 379.505 -0.615 20 0 GBADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736768324 598531156 /nfs/dbraw/zinc/53/11/56/598531156.db2.gz DNLSUQMOGKZTBH-HNNXBMFYSA-N 2 1 388.524 -0.032 20 0 GBADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736768325 598531085 /nfs/dbraw/zinc/53/10/85/598531085.db2.gz DNLSUQMOGKZTBH-OAHLLOKOSA-N 2 1 388.524 -0.032 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745538 598531553 /nfs/dbraw/zinc/53/15/53/598531553.db2.gz PDDBOAIOEFHZAT-CHWSQXEVSA-N 2 1 388.480 -0.718 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745541 598531218 /nfs/dbraw/zinc/53/12/18/598531218.db2.gz PDDBOAIOEFHZAT-OLZOCXBDSA-N 2 1 388.480 -0.718 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745543 598531278 /nfs/dbraw/zinc/53/12/78/598531278.db2.gz PDDBOAIOEFHZAT-QWHCGFSZSA-N 2 1 388.480 -0.718 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745546 598531389 /nfs/dbraw/zinc/53/13/89/598531389.db2.gz PDDBOAIOEFHZAT-STQMWFEESA-N 2 1 388.480 -0.718 20 0 GBADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394090 598713421 /nfs/dbraw/zinc/71/34/21/598713421.db2.gz PXGCGQGEBCAHRD-KBPBESRZSA-N 2 1 375.481 -0.069 20 0 GBADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394093 598713271 /nfs/dbraw/zinc/71/32/71/598713271.db2.gz PXGCGQGEBCAHRD-KGLIPLIRSA-N 2 1 375.481 -0.069 20 0 GBADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394095 598713192 /nfs/dbraw/zinc/71/31/92/598713192.db2.gz PXGCGQGEBCAHRD-UONOGXRCSA-N 2 1 375.481 -0.069 20 0 GBADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394097 598713679 /nfs/dbraw/zinc/71/36/79/598713679.db2.gz PXGCGQGEBCAHRD-ZIAGYGMSSA-N 2 1 375.481 -0.069 20 0 GBADMP CCNS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000745811464 637641743 /nfs/dbraw/zinc/64/17/43/637641743.db2.gz HCJDAGFXLAVUDJ-HNNXBMFYSA-N 2 1 377.555 -0.017 20 0 GBADMP CCNS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000745811472 637641561 /nfs/dbraw/zinc/64/15/61/637641561.db2.gz HCJDAGFXLAVUDJ-OAHLLOKOSA-N 2 1 377.555 -0.017 20 0 GBADMP NS(=O)(=O)[C@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224928 637782479 /nfs/dbraw/zinc/78/24/79/637782479.db2.gz DILPEULZTLFKSI-KBPBESRZSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782172 /nfs/dbraw/zinc/78/21/72/637782172.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782162 /nfs/dbraw/zinc/78/21/62/637782162.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782155 /nfs/dbraw/zinc/78/21/55/637782155.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 2 1 382.552 -0.728 20 0 GBADMP NS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000772224930 637782264 /nfs/dbraw/zinc/78/22/64/637782264.db2.gz DILPEULZTLFKSI-ZIAGYGMSSA-N 2 1 382.552 -0.728 20 0 GBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000779646419 637821168 /nfs/dbraw/zinc/82/11/68/637821168.db2.gz PNMXZMZYRTUGBW-AVGNSLFASA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000779646419 637821160 /nfs/dbraw/zinc/82/11/60/637821160.db2.gz PNMXZMZYRTUGBW-AVGNSLFASA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000779646421 637821215 /nfs/dbraw/zinc/82/12/15/637821215.db2.gz PNMXZMZYRTUGBW-RWMBFGLXSA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000779646421 637821205 /nfs/dbraw/zinc/82/12/05/637821205.db2.gz PNMXZMZYRTUGBW-RWMBFGLXSA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000779646422 637821366 /nfs/dbraw/zinc/82/13/66/637821366.db2.gz PNMXZMZYRTUGBW-XQQFMLRXSA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000779646422 637821360 /nfs/dbraw/zinc/82/13/60/637821360.db2.gz PNMXZMZYRTUGBW-XQQFMLRXSA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000779646424 637820984 /nfs/dbraw/zinc/82/09/84/637820984.db2.gz PNMXZMZYRTUGBW-YNEHKIRRSA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NO[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000779646424 637820971 /nfs/dbraw/zinc/82/09/71/637820971.db2.gz PNMXZMZYRTUGBW-YNEHKIRRSA-N 2 1 376.479 -0.714 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000785401176 1073040342 /nfs/dbraw/zinc/04/03/42/1073040342.db2.gz WNLCYYXMNGIZHD-BBWFWOEESA-N 2 1 382.505 -0.561 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000785401176 1073040328 /nfs/dbraw/zinc/04/03/28/1073040328.db2.gz WNLCYYXMNGIZHD-BBWFWOEESA-N 2 1 382.505 -0.561 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000785401183 1073040117 /nfs/dbraw/zinc/04/01/17/1073040117.db2.gz WNLCYYXMNGIZHD-BRWVUGGUSA-N 2 1 382.505 -0.561 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000785401183 1073040112 /nfs/dbraw/zinc/04/01/12/1073040112.db2.gz WNLCYYXMNGIZHD-BRWVUGGUSA-N 2 1 382.505 -0.561 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000785401184 1073040015 /nfs/dbraw/zinc/04/00/15/1073040015.db2.gz WNLCYYXMNGIZHD-GVDBMIGSSA-N 2 1 382.505 -0.561 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000785401184 1073040002 /nfs/dbraw/zinc/04/00/02/1073040002.db2.gz WNLCYYXMNGIZHD-GVDBMIGSSA-N 2 1 382.505 -0.561 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000785401186 1073039829 /nfs/dbraw/zinc/03/98/29/1073039829.db2.gz WNLCYYXMNGIZHD-ZACQAIPSSA-N 2 1 382.505 -0.561 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000785401186 1073039822 /nfs/dbraw/zinc/03/98/22/1073039822.db2.gz WNLCYYXMNGIZHD-ZACQAIPSSA-N 2 1 382.505 -0.561 20 0 GBADMP C[NH+]1CCN(C(=O)CC[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000819058977 637986017 /nfs/dbraw/zinc/98/60/17/637986017.db2.gz AUWGKGIXUKHAAA-UHFFFAOYSA-N 2 1 377.507 -0.503 20 0 GBADMP CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000820067659 637991226 /nfs/dbraw/zinc/99/12/26/637991226.db2.gz BPPOZUPXVQKWHE-HNNXBMFYSA-N 2 1 377.555 -0.065 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790347 637996845 /nfs/dbraw/zinc/99/68/45/637996845.db2.gz GRINVNVFAVJFJD-HNNXBMFYSA-N 2 1 398.595 -0.445 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790347 637996842 /nfs/dbraw/zinc/99/68/42/637996842.db2.gz GRINVNVFAVJFJD-HNNXBMFYSA-N 2 1 398.595 -0.445 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790348 637996967 /nfs/dbraw/zinc/99/69/67/637996967.db2.gz GRINVNVFAVJFJD-OAHLLOKOSA-N 2 1 398.595 -0.445 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCS(=O)(=O)N(C)C ZINC000820790348 637996964 /nfs/dbraw/zinc/99/69/64/637996964.db2.gz GRINVNVFAVJFJD-OAHLLOKOSA-N 2 1 398.595 -0.445 20 0 GBADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821254519 606702298 /nfs/dbraw/zinc/70/22/98/606702298.db2.gz MRZIUTVBUBMIID-UHFFFAOYSA-N 2 1 390.496 -0.363 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821267751 607212298 /nfs/dbraw/zinc/21/22/98/607212298.db2.gz QHBCAGHIYWNARA-CYBMUJFWSA-N 2 1 376.469 -0.667 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821267751 607212297 /nfs/dbraw/zinc/21/22/97/607212297.db2.gz QHBCAGHIYWNARA-CYBMUJFWSA-N 2 1 376.469 -0.667 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821267752 607212480 /nfs/dbraw/zinc/21/24/80/607212480.db2.gz QHBCAGHIYWNARA-ZDUSSCGKSA-N 2 1 376.469 -0.667 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821267752 607212479 /nfs/dbraw/zinc/21/24/79/607212479.db2.gz QHBCAGHIYWNARA-ZDUSSCGKSA-N 2 1 376.469 -0.667 20 0 GBADMP CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849053096 638124056 /nfs/dbraw/zinc/12/40/56/638124056.db2.gz ZASWZRWZLLURES-CABCVRRESA-N 2 1 375.539 -0.069 20 0 GBADMP CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849053097 638123901 /nfs/dbraw/zinc/12/39/01/638123901.db2.gz ZASWZRWZLLURES-GJZGRUSLSA-N 2 1 375.539 -0.069 20 0 GBADMP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849053098 638123980 /nfs/dbraw/zinc/12/39/80/638123980.db2.gz ZASWZRWZLLURES-HUUCEWRRSA-N 2 1 375.539 -0.069 20 0 GBADMP CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849053099 638123828 /nfs/dbraw/zinc/12/38/28/638123828.db2.gz ZASWZRWZLLURES-LSDHHAIUSA-N 2 1 375.539 -0.069 20 0 GBADMP CCS(=O)(=O)N1CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849082528 638123866 /nfs/dbraw/zinc/12/38/66/638123866.db2.gz ZKDBOFAYWYEOFE-UHFFFAOYSA-N 2 1 375.539 -0.116 20 0 GBADMP COCCS(=O)(=O)CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550464 638254581 /nfs/dbraw/zinc/25/45/81/638254581.db2.gz XGROMNGOIJHNEJ-CABCVRRESA-N 2 1 375.491 -0.305 20 0 GBADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000867442897 1072282683 /nfs/dbraw/zinc/28/26/83/1072282683.db2.gz NYOCKSFBDPAKFN-UHFFFAOYSA-N 2 1 384.521 -0.406 20 0 GBADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873219167 638285162 /nfs/dbraw/zinc/28/51/62/638285162.db2.gz DNSQBCSBHZMXMY-HNNXBMFYSA-N 2 1 375.539 -0.612 20 0 GBADMP CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873219169 638285134 /nfs/dbraw/zinc/28/51/34/638285134.db2.gz DNSQBCSBHZMXMY-OAHLLOKOSA-N 2 1 375.539 -0.612 20 0 GBADMP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCS(=O)(=O)NC)CC1 ZINC000886386725 638322614 /nfs/dbraw/zinc/32/26/14/638322614.db2.gz DTQSJUWYMDBBLM-HDJSIYSDSA-N 2 1 384.568 -0.740 20 0 GBADMP C[NH+](CCNS(C)(=O)=O)[C@H]1CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC000886394167 638322557 /nfs/dbraw/zinc/32/25/57/638322557.db2.gz SRLMMJHOYJCLMH-HDJSIYSDSA-N 2 1 384.568 -0.740 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000889332938 638314509 /nfs/dbraw/zinc/31/45/09/638314509.db2.gz OUGFWETYVUMWCU-AWEZNQCLSA-N 2 1 377.555 -0.018 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000889332938 638314502 /nfs/dbraw/zinc/31/45/02/638314502.db2.gz OUGFWETYVUMWCU-AWEZNQCLSA-N 2 1 377.555 -0.018 20 0 GBADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891339875 1072511261 /nfs/dbraw/zinc/51/12/61/1072511261.db2.gz IMOYYHBZCMHETP-BBWFWOEESA-N 2 1 394.520 -0.411 20 0 GBADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891339876 1072511072 /nfs/dbraw/zinc/51/10/72/1072511072.db2.gz IMOYYHBZCMHETP-ZACQAIPSSA-N 2 1 394.520 -0.411 20 0 GBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513424 1072173712 /nfs/dbraw/zinc/17/37/12/1072173712.db2.gz CCHNLMMECOKZDC-GCSSGZNBSA-N 2 1 379.461 -0.574 20 0 GBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513431 1072173821 /nfs/dbraw/zinc/17/38/21/1072173821.db2.gz CCHNLMMECOKZDC-JKJDWNRSSA-N 2 1 379.461 -0.574 20 0 GBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513432 1072173541 /nfs/dbraw/zinc/17/35/41/1072173541.db2.gz CCHNLMMECOKZDC-QCODTGAPSA-N 2 1 379.461 -0.574 20 0 GBADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513433 1072173493 /nfs/dbraw/zinc/17/34/93/1072173493.db2.gz CCHNLMMECOKZDC-RBZJEDDUSA-N 2 1 379.461 -0.574 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891537162 1072175233 /nfs/dbraw/zinc/17/52/33/1072175233.db2.gz JVAZREJROLROMI-INIZCTEOSA-N 2 1 381.521 -0.003 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891537163 1072175670 /nfs/dbraw/zinc/17/56/70/1072175670.db2.gz JVAZREJROLROMI-MRXNPFEDSA-N 2 1 381.521 -0.003 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538403 1072175335 /nfs/dbraw/zinc/17/53/35/1072175335.db2.gz XSQURAUMERYUTC-FPCVCCKLSA-N 2 1 381.477 -0.326 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538404 1072175726 /nfs/dbraw/zinc/17/57/26/1072175726.db2.gz XSQURAUMERYUTC-JJXSEGSLSA-N 2 1 381.477 -0.326 20 0 GBADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538405 1072175386 /nfs/dbraw/zinc/17/53/86/1072175386.db2.gz XSQURAUMERYUTC-JONQDZQNSA-N 2 1 381.477 -0.326 20 0 GBADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538406 1072175367 /nfs/dbraw/zinc/17/53/67/1072175367.db2.gz XSQURAUMERYUTC-QXSJWSMHSA-N 2 1 381.477 -0.326 20 0 GBADMP COCCC1(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000891565474 1072180221 /nfs/dbraw/zinc/18/02/21/1072180221.db2.gz PDAJRNRADUYOEV-KRWDZBQOSA-N 2 1 383.537 -0.149 20 0 GBADMP COCCC1(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000891565476 1072180308 /nfs/dbraw/zinc/18/03/08/1072180308.db2.gz PDAJRNRADUYOEV-QGZVFWFLSA-N 2 1 383.537 -0.149 20 0 GBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565488 1072179912 /nfs/dbraw/zinc/17/99/12/1072179912.db2.gz PFHUHUZDWBVXIC-MSOLQXFVSA-N 2 1 395.548 -0.149 20 0 GBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565490 1072180384 /nfs/dbraw/zinc/18/03/84/1072180384.db2.gz PFHUHUZDWBVXIC-QZTJIDSGSA-N 2 1 395.548 -0.149 20 0 GBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565492 1072179958 /nfs/dbraw/zinc/17/99/58/1072179958.db2.gz PFHUHUZDWBVXIC-ROUUACIJSA-N 2 1 395.548 -0.149 20 0 GBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565494 1072180242 /nfs/dbraw/zinc/18/02/42/1072180242.db2.gz PFHUHUZDWBVXIC-ZWKOTPCHSA-N 2 1 395.548 -0.149 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891567039 1072180059 /nfs/dbraw/zinc/18/00/59/1072180059.db2.gz UXBJMTBJBGNFIT-CABCVRRESA-N 2 1 375.464 -0.063 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891567040 1072180362 /nfs/dbraw/zinc/18/03/62/1072180362.db2.gz UXBJMTBJBGNFIT-GJZGRUSLSA-N 2 1 375.464 -0.063 20 0 GBADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891567041 1072180398 /nfs/dbraw/zinc/18/03/98/1072180398.db2.gz UXBJMTBJBGNFIT-HUUCEWRRSA-N 2 1 375.464 -0.063 20 0 GBADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891567042 1072180342 /nfs/dbraw/zinc/18/03/42/1072180342.db2.gz UXBJMTBJBGNFIT-LSDHHAIUSA-N 2 1 375.464 -0.063 20 0 GBADMP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCOCC1 ZINC000891584645 1072182413 /nfs/dbraw/zinc/18/24/13/1072182413.db2.gz ULCGEIPYWFKVCQ-FPCVCCKLSA-N 2 1 381.477 -0.469 20 0 GBADMP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCOCC1 ZINC000891584646 1072182076 /nfs/dbraw/zinc/18/20/76/1072182076.db2.gz ULCGEIPYWFKVCQ-JJXSEGSLSA-N 2 1 381.477 -0.469 20 0 GBADMP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCOCC1 ZINC000891584647 1072182217 /nfs/dbraw/zinc/18/22/17/1072182217.db2.gz ULCGEIPYWFKVCQ-JONQDZQNSA-N 2 1 381.477 -0.469 20 0 GBADMP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCOCC1 ZINC000891584648 1072182108 /nfs/dbraw/zinc/18/21/08/1072182108.db2.gz ULCGEIPYWFKVCQ-QXSJWSMHSA-N 2 1 381.477 -0.469 20 0 GBADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1C ZINC000891652955 1072194507 /nfs/dbraw/zinc/19/45/07/1072194507.db2.gz APQYVVFJJUQSJK-BNOWGMLFSA-N 2 1 377.449 -0.437 20 0 GBADMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1C ZINC000891652956 1072194390 /nfs/dbraw/zinc/19/43/90/1072194390.db2.gz APQYVVFJJUQSJK-YUTCNCBUSA-N 2 1 377.449 -0.437 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000891881399 1072237691 /nfs/dbraw/zinc/23/76/91/1072237691.db2.gz WESSMPHKUUQGPW-OAGGEKHMSA-N 2 1 394.520 -0.411 20 0 GBADMP C[N@H+]1CCN(CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000891881403 1072237564 /nfs/dbraw/zinc/23/75/64/1072237564.db2.gz WESSMPHKUUQGPW-XHSDSOJGSA-N 2 1 394.520 -0.411 20 0 GBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109772 1072298202 /nfs/dbraw/zinc/29/82/02/1072298202.db2.gz WOUIZZNNXABDRN-QWHCGFSZSA-N 2 1 381.443 -0.033 20 0 GBADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109774 1072298190 /nfs/dbraw/zinc/29/81/90/1072298190.db2.gz WOUIZZNNXABDRN-STQMWFEESA-N 2 1 381.443 -0.033 20 0 GBADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)cc2F)CC1 ZINC000892209359 1072320370 /nfs/dbraw/zinc/32/03/70/1072320370.db2.gz IOAVYMLVBIIWAL-UHFFFAOYSA-N 2 1 395.479 -0.054 20 0 GBADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000892219840 1072323904 /nfs/dbraw/zinc/32/39/04/1072323904.db2.gz AGUJICFMJABOOR-UHFFFAOYSA-N 2 1 377.489 -0.587 20 0 GBADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)c2)CC1 ZINC000892220422 1072325122 /nfs/dbraw/zinc/32/51/22/1072325122.db2.gz UNZFWLTXBQFMBN-UHFFFAOYSA-N 2 1 377.489 -0.193 20 0 GBADMP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)cc2)CC1 ZINC000892221318 1072325529 /nfs/dbraw/zinc/32/55/29/1072325529.db2.gz SAZQAENXPTXTLC-UHFFFAOYSA-N 2 1 391.516 -0.197 20 0 GBADMP C[NH+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000892221359 1072325451 /nfs/dbraw/zinc/32/54/51/1072325451.db2.gz UKSJRELXBOZYST-UHFFFAOYSA-N 2 1 377.489 -0.193 20 0 GBADMP C[NH+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000892221359 1072325438 /nfs/dbraw/zinc/32/54/38/1072325438.db2.gz UKSJRELXBOZYST-UHFFFAOYSA-N 2 1 377.489 -0.193 20 0 GBADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000892221359 1072325424 /nfs/dbraw/zinc/32/54/24/1072325424.db2.gz UKSJRELXBOZYST-UHFFFAOYSA-N 2 1 377.489 -0.193 20 0 GBADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000892221410 1072324969 /nfs/dbraw/zinc/32/49/69/1072324969.db2.gz WGUIMANXIMWZLA-UHFFFAOYSA-N 2 1 378.473 -0.460 20 0 GBADMP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000892221410 1072324955 /nfs/dbraw/zinc/32/49/55/1072324955.db2.gz WGUIMANXIMWZLA-UHFFFAOYSA-N 2 1 378.473 -0.460 20 0 GBADMP O=C(NCc1cccc2c1CC[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892327525 1072436885 /nfs/dbraw/zinc/43/68/85/1072436885.db2.gz LJQRMWXTALGNNX-UHFFFAOYSA-N 2 1 393.513 -0.539 20 0 GBADMP C[NH+](C)C1(C)CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000892532034 1072922627 /nfs/dbraw/zinc/92/26/27/1072922627.db2.gz GMAHWBWNCQFOGC-UHFFFAOYSA-N 2 1 387.550 -0.122 20 0 GBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000892756443 1073134875 /nfs/dbraw/zinc/13/48/75/1073134875.db2.gz POKSSMXOXSWJGM-CVEARBPZSA-N 2 1 379.505 -0.249 20 0 GBADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000892756444 1073135205 /nfs/dbraw/zinc/13/52/05/1073135205.db2.gz POKSSMXOXSWJGM-HOTGVXAUSA-N 2 1 379.505 -0.249 20 0 GBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000892756445 1073135196 /nfs/dbraw/zinc/13/51/96/1073135196.db2.gz POKSSMXOXSWJGM-HZPDHXFCSA-N 2 1 379.505 -0.249 20 0 GBADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000892756446 1073135119 /nfs/dbraw/zinc/13/51/19/1073135119.db2.gz POKSSMXOXSWJGM-JKSUJKDBSA-N 2 1 379.505 -0.249 20 0 GBADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892789699 1073141888 /nfs/dbraw/zinc/14/18/88/1073141888.db2.gz RWFGPIFWQWGEQM-INIZCTEOSA-N 2 1 393.513 -0.670 20 0 GBADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000892789700 1073141968 /nfs/dbraw/zinc/14/19/68/1073141968.db2.gz RWFGPIFWQWGEQM-MRXNPFEDSA-N 2 1 393.513 -0.670 20 0 GBADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000892920071 1073153549 /nfs/dbraw/zinc/15/35/49/1073153549.db2.gz ROKLUDRRQHURFU-UHFFFAOYSA-N 2 1 382.553 -0.182 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892937630 1073157179 /nfs/dbraw/zinc/15/71/79/1073157179.db2.gz FSXYXMRWNCMYSH-DLBZAZTESA-N 2 1 381.521 -0.220 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892937630 1073157177 /nfs/dbraw/zinc/15/71/77/1073157177.db2.gz FSXYXMRWNCMYSH-DLBZAZTESA-N 2 1 381.521 -0.220 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892937631 1073157488 /nfs/dbraw/zinc/15/74/88/1073157488.db2.gz FSXYXMRWNCMYSH-IAGOWNOFSA-N 2 1 381.521 -0.220 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892937631 1073157485 /nfs/dbraw/zinc/15/74/85/1073157485.db2.gz FSXYXMRWNCMYSH-IAGOWNOFSA-N 2 1 381.521 -0.220 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892937632 1073157362 /nfs/dbraw/zinc/15/73/62/1073157362.db2.gz FSXYXMRWNCMYSH-IRXDYDNUSA-N 2 1 381.521 -0.220 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892937632 1073157358 /nfs/dbraw/zinc/15/73/58/1073157358.db2.gz FSXYXMRWNCMYSH-IRXDYDNUSA-N 2 1 381.521 -0.220 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892937633 1073157148 /nfs/dbraw/zinc/15/71/48/1073157148.db2.gz FSXYXMRWNCMYSH-SJORKVTESA-N 2 1 381.521 -0.220 20 0 GBADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892937633 1073157145 /nfs/dbraw/zinc/15/71/45/1073157145.db2.gz FSXYXMRWNCMYSH-SJORKVTESA-N 2 1 381.521 -0.220 20 0 GBADMP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000893053484 1073211613 /nfs/dbraw/zinc/21/16/13/1073211613.db2.gz NBGNGWKHZIAAPZ-GOSISDBHSA-N 2 1 382.553 -0.718 20 0 GBADMP CN1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000893053484 1073211605 /nfs/dbraw/zinc/21/16/05/1073211605.db2.gz NBGNGWKHZIAAPZ-GOSISDBHSA-N 2 1 382.553 -0.718 20 0 GBADMP CN1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C)CC1 ZINC000893053484 1073211599 /nfs/dbraw/zinc/21/15/99/1073211599.db2.gz NBGNGWKHZIAAPZ-GOSISDBHSA-N 2 1 382.553 -0.718 20 0 GBADMP CN1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000893053490 1073211103 /nfs/dbraw/zinc/21/11/03/1073211103.db2.gz NBGNGWKHZIAAPZ-SFHVURJKSA-N 2 1 382.553 -0.718 20 0 GBADMP CN1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000893053490 1073211096 /nfs/dbraw/zinc/21/10/96/1073211096.db2.gz NBGNGWKHZIAAPZ-SFHVURJKSA-N 2 1 382.553 -0.718 20 0 GBADMP CN1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C)CC1 ZINC000893053490 1073211091 /nfs/dbraw/zinc/21/10/91/1073211091.db2.gz NBGNGWKHZIAAPZ-SFHVURJKSA-N 2 1 382.553 -0.718 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000893053955 1073211490 /nfs/dbraw/zinc/21/14/90/1073211490.db2.gz SNPJAHPGDJYUJX-CEXWTWQISA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000893053955 1073211484 /nfs/dbraw/zinc/21/14/84/1073211484.db2.gz SNPJAHPGDJYUJX-CEXWTWQISA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893053955 1073211478 /nfs/dbraw/zinc/21/14/78/1073211478.db2.gz SNPJAHPGDJYUJX-CEXWTWQISA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000893053957 1073212492 /nfs/dbraw/zinc/21/24/92/1073212492.db2.gz SNPJAHPGDJYUJX-GUDVDZBRSA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000893053957 1073212486 /nfs/dbraw/zinc/21/24/86/1073212486.db2.gz SNPJAHPGDJYUJX-GUDVDZBRSA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893053957 1073212484 /nfs/dbraw/zinc/21/24/84/1073212484.db2.gz SNPJAHPGDJYUJX-GUDVDZBRSA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000893053960 1073212060 /nfs/dbraw/zinc/21/20/60/1073212060.db2.gz SNPJAHPGDJYUJX-QRVBRYPASA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000893053960 1073212057 /nfs/dbraw/zinc/21/20/57/1073212057.db2.gz SNPJAHPGDJYUJX-QRVBRYPASA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893053960 1073212052 /nfs/dbraw/zinc/21/20/52/1073212052.db2.gz SNPJAHPGDJYUJX-QRVBRYPASA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000893053962 1073212410 /nfs/dbraw/zinc/21/24/10/1073212410.db2.gz SNPJAHPGDJYUJX-QYZOEREBSA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000893053962 1073212406 /nfs/dbraw/zinc/21/24/06/1073212406.db2.gz SNPJAHPGDJYUJX-QYZOEREBSA-N 2 1 395.548 -0.367 20 0 GBADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893053962 1073212400 /nfs/dbraw/zinc/21/24/00/1073212400.db2.gz SNPJAHPGDJYUJX-QYZOEREBSA-N 2 1 395.548 -0.367 20 0 GBADMP C[NH+]1C[C@H]2CN(c3nc(NC4CC4)nc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000893548801 1073547203 /nfs/dbraw/zinc/54/72/03/1073547203.db2.gz KCBQGSPMEBGRPZ-GEEKYZPCSA-N 2 1 384.532 -0.137 20 0 GBADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C)CC[N@@H+](C)CC1)C2 ZINC000894788770 1073036217 /nfs/dbraw/zinc/03/62/17/1073036217.db2.gz YQQZMBUTOFHAAH-AYHJJNSGSA-N 2 1 394.564 -0.041 20 0 GBADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C)CC[N@H+](C)CC1)C2 ZINC000894788770 1073036207 /nfs/dbraw/zinc/03/62/07/1073036207.db2.gz YQQZMBUTOFHAAH-AYHJJNSGSA-N 2 1 394.564 -0.041 20 0 GBADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C)CC[NH+](C)CC1)C2 ZINC000894788770 1073036202 /nfs/dbraw/zinc/03/62/02/1073036202.db2.gz YQQZMBUTOFHAAH-AYHJJNSGSA-N 2 1 394.564 -0.041 20 0 GBADMP CN1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+](C)CC1 ZINC000895334736 1073315019 /nfs/dbraw/zinc/31/50/19/1073315019.db2.gz SJPXADXCJNXAQQ-UHFFFAOYSA-N 2 1 396.580 -0.328 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000895666105 637399643 /nfs/dbraw/zinc/39/96/43/637399643.db2.gz KHAFWNAKSYXRKX-ILXRZTDVSA-N 2 1 377.555 -0.176 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000895666105 637399642 /nfs/dbraw/zinc/39/96/42/637399642.db2.gz KHAFWNAKSYXRKX-ILXRZTDVSA-N 2 1 377.555 -0.176 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCS(=O)(=O)N1CCCC1 ZINC000895666305 637399527 /nfs/dbraw/zinc/39/95/27/637399527.db2.gz LBDXIMZNRNEBGO-HNNXBMFYSA-N 2 1 377.555 -0.017 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCS(=O)(=O)N1CCCC1 ZINC000895666305 637399522 /nfs/dbraw/zinc/39/95/22/637399522.db2.gz LBDXIMZNRNEBGO-HNNXBMFYSA-N 2 1 377.555 -0.017 20 0 GBADMP C[NH+]1CCN(C(=O)N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000896225897 1073334877 /nfs/dbraw/zinc/33/48/77/1073334877.db2.gz LFGDAWWTCSIRSL-UHFFFAOYSA-N 2 1 379.505 -0.391 20 0 GBADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896467315 1073341324 /nfs/dbraw/zinc/34/13/24/1073341324.db2.gz AVFRMKPHDPGHMW-KRWDZBQOSA-N 2 1 383.537 -0.461 20 0 GBADMP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896467316 1073341542 /nfs/dbraw/zinc/34/15/42/1073341542.db2.gz AVFRMKPHDPGHMW-QGZVFWFLSA-N 2 1 383.537 -0.461 20 0 GBADMP CN1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000896468594 1073341624 /nfs/dbraw/zinc/34/16/24/1073341624.db2.gz QMUSPCYWKBNDEH-IBGZPJMESA-N 2 1 396.580 -0.328 20 0 GBADMP CN1CCN(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000896468594 1073341618 /nfs/dbraw/zinc/34/16/18/1073341618.db2.gz QMUSPCYWKBNDEH-IBGZPJMESA-N 2 1 396.580 -0.328 20 0 GBADMP CN1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C)CC1 ZINC000896468594 1073341610 /nfs/dbraw/zinc/34/16/10/1073341610.db2.gz QMUSPCYWKBNDEH-IBGZPJMESA-N 2 1 396.580 -0.328 20 0 GBADMP CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000896468598 1073341200 /nfs/dbraw/zinc/34/12/00/1073341200.db2.gz QMUSPCYWKBNDEH-LJQANCHMSA-N 2 1 396.580 -0.328 20 0 GBADMP CN1CCN(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[NH+](C)CC1 ZINC000896468598 1073341189 /nfs/dbraw/zinc/34/11/89/1073341189.db2.gz QMUSPCYWKBNDEH-LJQANCHMSA-N 2 1 396.580 -0.328 20 0 GBADMP CN1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C)CC1 ZINC000896468598 1073341178 /nfs/dbraw/zinc/34/11/78/1073341178.db2.gz QMUSPCYWKBNDEH-LJQANCHMSA-N 2 1 396.580 -0.328 20 0 GBADMP CN1CCN(c2cnc(N3CCN(C)CC[N@H+](C)CC3)cn2)CC[NH+](C)CC1 ZINC000897095022 1073479552 /nfs/dbraw/zinc/47/95/52/1073479552.db2.gz OJGMCJKZXARLHQ-UHFFFAOYSA-N 2 1 390.580 -0.156 20 0 GBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897313571 1073517052 /nfs/dbraw/zinc/51/70/52/1073517052.db2.gz HXYKCHYPDFKGDI-KRWDZBQOSA-N 2 1 383.537 -0.643 20 0 GBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897313571 1073517043 /nfs/dbraw/zinc/51/70/43/1073517043.db2.gz HXYKCHYPDFKGDI-KRWDZBQOSA-N 2 1 383.537 -0.643 20 0 GBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897313572 1073517406 /nfs/dbraw/zinc/51/74/06/1073517406.db2.gz HXYKCHYPDFKGDI-QGZVFWFLSA-N 2 1 383.537 -0.643 20 0 GBADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897313572 1073517392 /nfs/dbraw/zinc/51/73/92/1073517392.db2.gz HXYKCHYPDFKGDI-QGZVFWFLSA-N 2 1 383.537 -0.643 20 0 GBADMP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000897319085 1073526789 /nfs/dbraw/zinc/52/67/89/1073526789.db2.gz WIIIMHKXYQHIIG-INIZCTEOSA-N 2 1 375.473 -0.043 20 0 GBADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000897319086 1073526998 /nfs/dbraw/zinc/52/69/98/1073526998.db2.gz WIIIMHKXYQHIIG-MRXNPFEDSA-N 2 1 375.473 -0.043 20 0 GBADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000897319106 1073527287 /nfs/dbraw/zinc/52/72/87/1073527287.db2.gz WVCTWXAWCWQXHS-INIZCTEOSA-N 2 1 375.473 -0.043 20 0 GBADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000897319107 1073527049 /nfs/dbraw/zinc/52/70/49/1073527049.db2.gz WVCTWXAWCWQXHS-MRXNPFEDSA-N 2 1 375.473 -0.043 20 0 GBADMP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000897444463 1073931418 /nfs/dbraw/zinc/93/14/18/1073931418.db2.gz HFFQFQFDQNUFEJ-UHFFFAOYSA-N 2 1 395.548 -0.009 20 0 GBADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000897444903 1073932396 /nfs/dbraw/zinc/93/23/96/1073932396.db2.gz VVQQZQUHRKJERG-UHFFFAOYSA-N 2 1 393.532 -0.256 20 0 GBADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000897472746 1073945198 /nfs/dbraw/zinc/94/51/98/1073945198.db2.gz ZKOPBQVGWHOMKO-UHFFFAOYSA-N 2 1 393.532 -0.210 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900981551 638363347 /nfs/dbraw/zinc/36/33/47/638363347.db2.gz TWGCDOBFXODPIS-DOTOQJQBSA-N 2 1 375.535 -0.199 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900981551 638363339 /nfs/dbraw/zinc/36/33/39/638363339.db2.gz TWGCDOBFXODPIS-DOTOQJQBSA-N 2 1 375.535 -0.199 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900981583 638363175 /nfs/dbraw/zinc/36/31/75/638363175.db2.gz TWGCDOBFXODPIS-NVXWUHKLSA-N 2 1 375.535 -0.199 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900981583 638363169 /nfs/dbraw/zinc/36/31/69/638363169.db2.gz TWGCDOBFXODPIS-NVXWUHKLSA-N 2 1 375.535 -0.199 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900981586 638363041 /nfs/dbraw/zinc/36/30/41/638363041.db2.gz TWGCDOBFXODPIS-RDJZCZTQSA-N 2 1 375.535 -0.199 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000900981586 638363036 /nfs/dbraw/zinc/36/30/36/638363036.db2.gz TWGCDOBFXODPIS-RDJZCZTQSA-N 2 1 375.535 -0.199 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900981588 638362979 /nfs/dbraw/zinc/36/29/79/638362979.db2.gz TWGCDOBFXODPIS-WBVHZDCISA-N 2 1 375.535 -0.199 20 0 GBADMP C[NH+](C)CCCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000900981588 638362971 /nfs/dbraw/zinc/36/29/71/638362971.db2.gz TWGCDOBFXODPIS-WBVHZDCISA-N 2 1 375.535 -0.199 20 0 GBADMP CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562797 637436708 /nfs/dbraw/zinc/43/67/08/637436708.db2.gz ULXSHUIQLYBOLT-GASCZTMLSA-N 2 1 394.563 -0.844 20 0 GBADMP CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562797 637436702 /nfs/dbraw/zinc/43/67/02/637436702.db2.gz ULXSHUIQLYBOLT-GASCZTMLSA-N 2 1 394.563 -0.844 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000923200957 637604856 /nfs/dbraw/zinc/60/48/56/637604856.db2.gz HSELRMXAOAXBFM-AWEZNQCLSA-N 2 1 377.555 -0.032 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000923200957 637604854 /nfs/dbraw/zinc/60/48/54/637604854.db2.gz HSELRMXAOAXBFM-AWEZNQCLSA-N 2 1 377.555 -0.032 20 0 GBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000923285927 637604866 /nfs/dbraw/zinc/60/48/66/637604866.db2.gz JEUCPWKFWMFGSM-HNNXBMFYSA-N 2 1 376.567 -0.175 20 0 GBADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000923285928 637604812 /nfs/dbraw/zinc/60/48/12/637604812.db2.gz JEUCPWKFWMFGSM-OAHLLOKOSA-N 2 1 376.567 -0.175 20 0 GBADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCC(=O)Nc1ccccc1Br ZINC000923464308 637606088 /nfs/dbraw/zinc/60/60/88/637606088.db2.gz MIGGHCZIJVAUNO-UHFFFAOYSA-N 2 1 398.305 -0.001 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000933848644 1072234860 /nfs/dbraw/zinc/23/48/60/1072234860.db2.gz YDWQGVJAQRIPKR-INIZCTEOSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000933848644 1072234854 /nfs/dbraw/zinc/23/48/54/1072234854.db2.gz YDWQGVJAQRIPKR-INIZCTEOSA-N 2 1 393.532 -0.401 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000933848644 1072234849 /nfs/dbraw/zinc/23/48/49/1072234849.db2.gz YDWQGVJAQRIPKR-INIZCTEOSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000933848645 1072235239 /nfs/dbraw/zinc/23/52/39/1072235239.db2.gz YDWQGVJAQRIPKR-MRXNPFEDSA-N 2 1 393.532 -0.401 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000933848645 1072235229 /nfs/dbraw/zinc/23/52/29/1072235229.db2.gz YDWQGVJAQRIPKR-MRXNPFEDSA-N 2 1 393.532 -0.401 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000933848645 1072235220 /nfs/dbraw/zinc/23/52/20/1072235220.db2.gz YDWQGVJAQRIPKR-MRXNPFEDSA-N 2 1 393.532 -0.401 20 0 GBADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@H]2OC)CC1 ZINC000934124207 1072284896 /nfs/dbraw/zinc/28/48/96/1072284896.db2.gz CPZKOYQKTSRAII-WNRNVDISSA-N 2 1 396.532 -0.124 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000934254264 1072306040 /nfs/dbraw/zinc/30/60/40/1072306040.db2.gz XCRICADBEGMKTM-CEXWTWQISA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000934254264 1072306032 /nfs/dbraw/zinc/30/60/32/1072306032.db2.gz XCRICADBEGMKTM-CEXWTWQISA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000934254264 1072306025 /nfs/dbraw/zinc/30/60/25/1072306025.db2.gz XCRICADBEGMKTM-CEXWTWQISA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000934254267 1072306073 /nfs/dbraw/zinc/30/60/73/1072306073.db2.gz XCRICADBEGMKTM-GUDVDZBRSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000934254267 1072306068 /nfs/dbraw/zinc/30/60/68/1072306068.db2.gz XCRICADBEGMKTM-GUDVDZBRSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000934254267 1072306063 /nfs/dbraw/zinc/30/60/63/1072306063.db2.gz XCRICADBEGMKTM-GUDVDZBRSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000934254268 1072305837 /nfs/dbraw/zinc/30/58/37/1072305837.db2.gz XCRICADBEGMKTM-QRVBRYPASA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000934254268 1072305825 /nfs/dbraw/zinc/30/58/25/1072305825.db2.gz XCRICADBEGMKTM-QRVBRYPASA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000934254268 1072305811 /nfs/dbraw/zinc/30/58/11/1072305811.db2.gz XCRICADBEGMKTM-QRVBRYPASA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000934254270 1072306323 /nfs/dbraw/zinc/30/63/23/1072306323.db2.gz XCRICADBEGMKTM-QYZOEREBSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000934254270 1072306310 /nfs/dbraw/zinc/30/63/10/1072306310.db2.gz XCRICADBEGMKTM-QYZOEREBSA-N 2 1 382.549 -0.010 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000934254270 1072306300 /nfs/dbraw/zinc/30/63/00/1072306300.db2.gz XCRICADBEGMKTM-QYZOEREBSA-N 2 1 382.549 -0.010 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)O1 ZINC000969512573 1072193907 /nfs/dbraw/zinc/19/39/07/1072193907.db2.gz QEPHOOBTMGHZKW-LVQVYYBASA-N 2 1 382.505 -0.732 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)O1 ZINC000969512573 1072193902 /nfs/dbraw/zinc/19/39/02/1072193902.db2.gz QEPHOOBTMGHZKW-LVQVYYBASA-N 2 1 382.505 -0.732 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)CC[N@H+]1C ZINC000970144929 1072265096 /nfs/dbraw/zinc/26/50/96/1072265096.db2.gz PHOJVBPKYPWCJY-MIGQKNRLSA-N 2 1 378.473 -0.017 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)O1 ZINC000970654833 1072359054 /nfs/dbraw/zinc/35/90/54/1072359054.db2.gz ZUXIXZNTMNFDIX-LVQVYYBASA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)O1 ZINC000970654833 1072359043 /nfs/dbraw/zinc/35/90/43/1072359043.db2.gz ZUXIXZNTMNFDIX-LVQVYYBASA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)O1 ZINC000970654833 1072359031 /nfs/dbraw/zinc/35/90/31/1072359031.db2.gz ZUXIXZNTMNFDIX-LVQVYYBASA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)O1 ZINC000970654833 1072359018 /nfs/dbraw/zinc/35/90/18/1072359018.db2.gz ZUXIXZNTMNFDIX-LVQVYYBASA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)O1 ZINC000972856032 1072670390 /nfs/dbraw/zinc/67/03/90/1072670390.db2.gz GKEIOBXYQJJRRQ-QBPKDAKJSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)O1 ZINC000972856032 1072670387 /nfs/dbraw/zinc/67/03/87/1072670387.db2.gz GKEIOBXYQJJRRQ-QBPKDAKJSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)O1 ZINC000974592490 1073356340 /nfs/dbraw/zinc/35/63/40/1073356340.db2.gz NTMGEYKBOPSMPR-QBPKDAKJSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)O1 ZINC000974592490 1073356332 /nfs/dbraw/zinc/35/63/32/1073356332.db2.gz NTMGEYKBOPSMPR-QBPKDAKJSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)O1 ZINC001022020630 1072610878 /nfs/dbraw/zinc/61/08/78/1072610878.db2.gz QMGDKIFWCMAKFF-YYIAUSFCSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)O1 ZINC001022020630 1072610868 /nfs/dbraw/zinc/61/08/68/1072610868.db2.gz QMGDKIFWCMAKFF-YYIAUSFCSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)O1 ZINC001022217257 1072191500 /nfs/dbraw/zinc/19/15/00/1072191500.db2.gz IFJBHAGDQNKBCX-YYIAUSFCSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)O1 ZINC001022217257 1072191491 /nfs/dbraw/zinc/19/14/91/1072191491.db2.gz IFJBHAGDQNKBCX-YYIAUSFCSA-N 2 1 376.501 -0.139 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC001023693686 1072563541 /nfs/dbraw/zinc/56/35/41/1072563541.db2.gz PIGKKSOUCGILBY-MWQQHZPXSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)O1 ZINC001023693686 1072563527 /nfs/dbraw/zinc/56/35/27/1072563527.db2.gz PIGKKSOUCGILBY-MWQQHZPXSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)CC[N@H+]1C ZINC001023935569 1072617274 /nfs/dbraw/zinc/61/72/74/1072617274.db2.gz WSLANGROLYURTH-MWQQHZPXSA-N 2 1 392.504 -0.914 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)CC[N@H+]1C ZINC001023955751 1072628348 /nfs/dbraw/zinc/62/83/48/1072628348.db2.gz UTQXJQLMHUOGPZ-MUIFIZLQSA-N 2 1 392.504 -0.914 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2O)CC[N@H+]1C ZINC001023967827 1072633384 /nfs/dbraw/zinc/63/33/84/1072633384.db2.gz IZJNVHARYDVPOP-MWQQHZPXSA-N 2 1 392.504 -0.914 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2O)CC[N@H+]1C ZINC001023968306 1072632843 /nfs/dbraw/zinc/63/28/43/1072632843.db2.gz SOYAWACUFNMXGU-QBPKDAKJSA-N 2 1 378.517 -0.110 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2O)CC[N@H+]1C ZINC001023968422 1072632393 /nfs/dbraw/zinc/63/23/93/1072632393.db2.gz VVQVKVVYVZUFMJ-MUIFIZLQSA-N 2 1 392.504 -0.914 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2O)CC[N@H+]1C ZINC001023968480 1072632834 /nfs/dbraw/zinc/63/28/34/1072632834.db2.gz XNWYYZBEEMDAMQ-GZOSKZMVSA-N 2 1 389.500 -0.210 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023968480 1072632830 /nfs/dbraw/zinc/63/28/30/1072632830.db2.gz XNWYYZBEEMDAMQ-GZOSKZMVSA-N 2 1 389.500 -0.210 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2O)CC[N@H+]1C ZINC001023970284 1072636145 /nfs/dbraw/zinc/63/61/45/1072636145.db2.gz JMJIXBQOMNIZJS-UIBBOPPKSA-N 2 1 379.461 -0.622 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2O)CC[N@@H+]1C ZINC001023970284 1072636140 /nfs/dbraw/zinc/63/61/40/1072636140.db2.gz JMJIXBQOMNIZJS-UIBBOPPKSA-N 2 1 379.461 -0.622 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001023972037 1072635320 /nfs/dbraw/zinc/63/53/20/1072635320.db2.gz GNZITHWHINLJEL-GKLJAUDBSA-N 2 1 375.473 -0.211 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2O)CC[N@H+]1C ZINC001023972068 1072635503 /nfs/dbraw/zinc/63/55/03/1072635503.db2.gz IGZZKGXWNYPRCE-MWQQHZPXSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2O)CC[N@H+]1C ZINC001023972356 1072635414 /nfs/dbraw/zinc/63/54/14/1072635414.db2.gz QLSZUJYEFZGONO-DTZQCDIJSA-N 2 1 378.473 -0.017 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001023977230 1072637075 /nfs/dbraw/zinc/63/70/75/1072637075.db2.gz BMOFXXGTFRFUKY-YLFCFFPRSA-N 2 1 382.505 -0.873 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023977230 1072637072 /nfs/dbraw/zinc/63/70/72/1072637072.db2.gz BMOFXXGTFRFUKY-YLFCFFPRSA-N 2 1 382.505 -0.873 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2O)CC[N@H+]1C ZINC001023980046 1072640121 /nfs/dbraw/zinc/64/01/21/1072640121.db2.gz CKEXJBIUNAENAW-RKTXRCNFSA-N 2 1 393.488 -0.232 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2O)CC[N@@H+]1C ZINC001023980046 1072640115 /nfs/dbraw/zinc/64/01/15/1072640115.db2.gz CKEXJBIUNAENAW-RKTXRCNFSA-N 2 1 393.488 -0.232 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC001024383863 1072732726 /nfs/dbraw/zinc/73/27/26/1072732726.db2.gz DJFSKFXZCOKOAI-QBPKDAKJSA-N 2 1 378.517 -0.110 20 0 GBADMP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001024386951 1072733908 /nfs/dbraw/zinc/73/39/08/1072733908.db2.gz GCTCMNSCTRUQNS-QBPKDAKJSA-N 2 1 382.505 -0.875 20 0 GBADMP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001024386951 1072733901 /nfs/dbraw/zinc/73/39/01/1072733901.db2.gz GCTCMNSCTRUQNS-QBPKDAKJSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)O1 ZINC001024387257 1072733478 /nfs/dbraw/zinc/73/34/78/1072733478.db2.gz LEFZXDQBHFZREP-KLHDSHLOSA-N 2 1 380.489 -0.978 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)O1 ZINC001024387257 1072733474 /nfs/dbraw/zinc/73/34/74/1072733474.db2.gz LEFZXDQBHFZREP-KLHDSHLOSA-N 2 1 380.489 -0.978 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2O)O1 ZINC001024389234 1072736576 /nfs/dbraw/zinc/73/65/76/1072736576.db2.gz BJVLSQZSKKQUAB-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2O)O1 ZINC001024389234 1072736572 /nfs/dbraw/zinc/73/65/72/1072736572.db2.gz BJVLSQZSKKQUAB-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2O)O1 ZINC001024389234 1072736567 /nfs/dbraw/zinc/73/65/67/1072736567.db2.gz BJVLSQZSKKQUAB-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2O)O1 ZINC001024389234 1072736562 /nfs/dbraw/zinc/73/65/62/1072736562.db2.gz BJVLSQZSKKQUAB-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)O1 ZINC001024389671 1072739171 /nfs/dbraw/zinc/73/91/71/1072739171.db2.gz RFSVWPBKMBTWRL-MWQQHZPXSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)O1 ZINC001024389671 1072739165 /nfs/dbraw/zinc/73/91/65/1072739165.db2.gz RFSVWPBKMBTWRL-MWQQHZPXSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)O1 ZINC001024389755 1072739023 /nfs/dbraw/zinc/73/90/23/1072739023.db2.gz WDUCJLCXSYLFSK-QBPKDAKJSA-N 2 1 382.505 -0.731 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)O1 ZINC001024389755 1072739018 /nfs/dbraw/zinc/73/90/18/1072739018.db2.gz WDUCJLCXSYLFSK-QBPKDAKJSA-N 2 1 382.505 -0.731 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)O1 ZINC001024389827 1072740360 /nfs/dbraw/zinc/74/03/60/1072740360.db2.gz ZTGRXLHADBLQCK-BASLNEPJSA-N 2 1 387.440 -0.645 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)O1 ZINC001024389827 1072740353 /nfs/dbraw/zinc/74/03/53/1072740353.db2.gz ZTGRXLHADBLQCK-BASLNEPJSA-N 2 1 387.440 -0.645 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)O1 ZINC001024390573 1072741695 /nfs/dbraw/zinc/74/16/95/1072741695.db2.gz PROXYJJHRCIWKJ-KLHDSHLOSA-N 2 1 382.505 -0.732 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)O1 ZINC001024390573 1072741686 /nfs/dbraw/zinc/74/16/86/1072741686.db2.gz PROXYJJHRCIWKJ-KLHDSHLOSA-N 2 1 382.505 -0.732 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC001024460645 1072764866 /nfs/dbraw/zinc/76/48/66/1072764866.db2.gz JFOVYCJLPGVTEN-UIBBOPPKSA-N 2 1 379.461 -0.622 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC001024460645 1072764850 /nfs/dbraw/zinc/76/48/50/1072764850.db2.gz JFOVYCJLPGVTEN-UIBBOPPKSA-N 2 1 379.461 -0.622 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@H+]1C ZINC001024460914 1072765008 /nfs/dbraw/zinc/76/50/08/1072765008.db2.gz NJIJHHMZCIVZSD-RKTXRCNFSA-N 2 1 393.488 -0.232 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)CC[N@@H+]1C ZINC001024460914 1072764997 /nfs/dbraw/zinc/76/49/97/1072764997.db2.gz NJIJHHMZCIVZSD-RKTXRCNFSA-N 2 1 393.488 -0.232 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001024650253 1072857508 /nfs/dbraw/zinc/85/75/08/1072857508.db2.gz SSINSCKUAAFZSP-BASLNEPJSA-N 2 1 387.440 -0.645 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001024650253 1072857493 /nfs/dbraw/zinc/85/74/93/1072857493.db2.gz SSINSCKUAAFZSP-BASLNEPJSA-N 2 1 387.440 -0.645 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C2)CC[N@H+]1C ZINC001024709881 1072872795 /nfs/dbraw/zinc/87/27/95/1072872795.db2.gz WYEZECCRRFJYNP-GZOSKZMVSA-N 2 1 389.500 -0.210 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]c4c3CCCC4)C2)CC[N@@H+]1C ZINC001024709881 1072872776 /nfs/dbraw/zinc/87/27/76/1072872776.db2.gz WYEZECCRRFJYNP-GZOSKZMVSA-N 2 1 389.500 -0.210 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC001024747667 1072883243 /nfs/dbraw/zinc/88/32/43/1072883243.db2.gz YBHVLYWHRDPJAT-KLHDSHLOSA-N 2 1 380.489 -0.978 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC001024747667 1072883232 /nfs/dbraw/zinc/88/32/32/1072883232.db2.gz YBHVLYWHRDPJAT-KLHDSHLOSA-N 2 1 380.489 -0.978 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC001024797516 1072890646 /nfs/dbraw/zinc/89/06/46/1072890646.db2.gz IFEOFCJVXZYSFI-GKLJAUDBSA-N 2 1 375.473 -0.211 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC001025001454 1072941997 /nfs/dbraw/zinc/94/19/97/1072941997.db2.gz QEPHOOBTMGHZKW-KLHDSHLOSA-N 2 1 382.505 -0.732 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)O1 ZINC001025001454 1072941993 /nfs/dbraw/zinc/94/19/93/1072941993.db2.gz QEPHOOBTMGHZKW-KLHDSHLOSA-N 2 1 382.505 -0.732 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)O1 ZINC001025691324 1073164092 /nfs/dbraw/zinc/16/40/92/1073164092.db2.gz ZUXIXZNTMNFDIX-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)O1 ZINC001025691324 1073164085 /nfs/dbraw/zinc/16/40/85/1073164085.db2.gz ZUXIXZNTMNFDIX-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC001025691324 1073164080 /nfs/dbraw/zinc/16/40/80/1073164080.db2.gz ZUXIXZNTMNFDIX-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)O1 ZINC001025691324 1073164071 /nfs/dbraw/zinc/16/40/71/1073164071.db2.gz ZUXIXZNTMNFDIX-KLHDSHLOSA-N 2 1 382.505 -0.875 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2cncn2C)O1 ZINC001058870926 1073621987 /nfs/dbraw/zinc/62/19/87/1073621987.db2.gz UGSDSAORYQNJDJ-KCYZZUKISA-N 2 1 393.488 -0.820 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2cncn2C)O1 ZINC001058870926 1073621980 /nfs/dbraw/zinc/62/19/80/1073621980.db2.gz UGSDSAORYQNJDJ-KCYZZUKISA-N 2 1 393.488 -0.820 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCCS4(=O)=O)C[C@H]32)CC[NH+]1C ZINC001075808838 1073229589 /nfs/dbraw/zinc/22/95/89/1073229589.db2.gz FLQNDTNHLCADGP-YYIAUSFCSA-N 2 1 384.546 -0.105 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCN4CCCS4(=O)=O)C[C@H]32)CC[NH+]1C ZINC001075808838 1073229587 /nfs/dbraw/zinc/22/95/87/1073229587.db2.gz FLQNDTNHLCADGP-YYIAUSFCSA-N 2 1 384.546 -0.105 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCCS4(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001075808838 1073229583 /nfs/dbraw/zinc/22/95/83/1073229583.db2.gz FLQNDTNHLCADGP-YYIAUSFCSA-N 2 1 384.546 -0.105 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC001075809051 1073231407 /nfs/dbraw/zinc/23/14/07/1073231407.db2.gz PSHVYMRACQZMLS-QKPAOTATSA-N 2 1 377.489 -0.199 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC001075809051 1073231401 /nfs/dbraw/zinc/23/14/01/1073231401.db2.gz PSHVYMRACQZMLS-QKPAOTATSA-N 2 1 377.489 -0.199 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[N@H+]1C ZINC001075809051 1073231395 /nfs/dbraw/zinc/23/13/95/1073231395.db2.gz PSHVYMRACQZMLS-QKPAOTATSA-N 2 1 377.489 -0.199 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(=O)n(C)c(=O)n4C)C[C@H]32)CC[NH+]1C ZINC001075809052 1073231302 /nfs/dbraw/zinc/23/13/02/1073231302.db2.gz PTDQWNKONPYCIE-YALNPMBYSA-N 2 1 389.500 -0.543 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(=O)n(C)c(=O)n4C)C[C@H]32)CC[NH+]1C ZINC001075809052 1073231297 /nfs/dbraw/zinc/23/12/97/1073231297.db2.gz PTDQWNKONPYCIE-YALNPMBYSA-N 2 1 389.500 -0.543 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(=O)n(C)c(=O)n4C)C[C@H]32)CC[N@H+]1C ZINC001075809052 1073231292 /nfs/dbraw/zinc/23/12/92/1073231292.db2.gz PTDQWNKONPYCIE-YALNPMBYSA-N 2 1 389.500 -0.543 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[NH+]1C ZINC001075813639 1073296124 /nfs/dbraw/zinc/29/61/24/1073296124.db2.gz RDARIVCDLQSFME-MWDXBVQZSA-N 2 1 391.516 -0.792 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[NH+]1C ZINC001075813639 1073296119 /nfs/dbraw/zinc/29/61/19/1073296119.db2.gz RDARIVCDLQSFME-MWDXBVQZSA-N 2 1 391.516 -0.792 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001075813639 1073296114 /nfs/dbraw/zinc/29/61/14/1073296114.db2.gz RDARIVCDLQSFME-MWDXBVQZSA-N 2 1 391.516 -0.792 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001075813639 1073296112 /nfs/dbraw/zinc/29/61/12/1073296112.db2.gz RDARIVCDLQSFME-MWDXBVQZSA-N 2 1 391.516 -0.792 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001075813639 1073296109 /nfs/dbraw/zinc/29/61/09/1073296109.db2.gz RDARIVCDLQSFME-MWDXBVQZSA-N 2 1 391.516 -0.792 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)CC[N@H+]1C ZINC001075813716 1073296767 /nfs/dbraw/zinc/29/67/67/1073296767.db2.gz VYDHIDPVMCWOSK-CAOSSQGBSA-N 2 1 377.489 -0.199 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001087577863 1073297126 /nfs/dbraw/zinc/29/71/26/1073297126.db2.gz NJYXSMIYVCUNRY-LVQVYYBASA-N 2 1 379.505 -0.746 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001087577863 1073297121 /nfs/dbraw/zinc/29/71/21/1073297121.db2.gz NJYXSMIYVCUNRY-LVQVYYBASA-N 2 1 379.505 -0.746 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001087577863 1073297115 /nfs/dbraw/zinc/29/71/15/1073297115.db2.gz NJYXSMIYVCUNRY-LVQVYYBASA-N 2 1 379.505 -0.746 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001087577863 1073297110 /nfs/dbraw/zinc/29/71/10/1073297110.db2.gz NJYXSMIYVCUNRY-LVQVYYBASA-N 2 1 379.505 -0.746 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001087578316 1073297868 /nfs/dbraw/zinc/29/78/68/1073297868.db2.gz NGYQAYBSLUFSIV-MXASKKJJSA-N 2 1 391.516 -0.107 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001087578316 1073297863 /nfs/dbraw/zinc/29/78/63/1073297863.db2.gz NGYQAYBSLUFSIV-MXASKKJJSA-N 2 1 391.516 -0.107 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001087578316 1073297855 /nfs/dbraw/zinc/29/78/55/1073297855.db2.gz NGYQAYBSLUFSIV-MXASKKJJSA-N 2 1 391.516 -0.107 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001087578651 1073297814 /nfs/dbraw/zinc/29/78/14/1073297814.db2.gz HORUTZXJCIGGMP-MWDXBVQZSA-N 2 1 393.532 -0.356 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001087578651 1073297809 /nfs/dbraw/zinc/29/78/09/1073297809.db2.gz HORUTZXJCIGGMP-MWDXBVQZSA-N 2 1 393.532 -0.356 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2CC)CC[NH+]1C ZINC001087578651 1073297804 /nfs/dbraw/zinc/29/78/04/1073297804.db2.gz HORUTZXJCIGGMP-MWDXBVQZSA-N 2 1 393.532 -0.356 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2CC)CC[NH+]1C ZINC001087578651 1073297800 /nfs/dbraw/zinc/29/78/00/1073297800.db2.gz HORUTZXJCIGGMP-MWDXBVQZSA-N 2 1 393.532 -0.356 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001087622408 1073299222 /nfs/dbraw/zinc/29/92/22/1073299222.db2.gz KIOXVNKFFNWGIZ-LXTVHRRPSA-N 2 1 381.477 -0.774 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001087622408 1073299218 /nfs/dbraw/zinc/29/92/18/1073299218.db2.gz KIOXVNKFFNWGIZ-LXTVHRRPSA-N 2 1 381.477 -0.774 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001087622408 1073299211 /nfs/dbraw/zinc/29/92/11/1073299211.db2.gz KIOXVNKFFNWGIZ-LXTVHRRPSA-N 2 1 381.477 -0.774 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001087622408 1073299205 /nfs/dbraw/zinc/29/92/05/1073299205.db2.gz KIOXVNKFFNWGIZ-LXTVHRRPSA-N 2 1 381.477 -0.774 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087622852 1073299071 /nfs/dbraw/zinc/29/90/71/1073299071.db2.gz HCLQPJUMIAPUJO-QKPAOTATSA-N 2 1 380.489 -0.176 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087622852 1073299066 /nfs/dbraw/zinc/29/90/66/1073299066.db2.gz HCLQPJUMIAPUJO-QKPAOTATSA-N 2 1 380.489 -0.176 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087622852 1073299061 /nfs/dbraw/zinc/29/90/61/1073299061.db2.gz HCLQPJUMIAPUJO-QKPAOTATSA-N 2 1 380.489 -0.176 20 0 GBADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087622852 1073299054 /nfs/dbraw/zinc/29/90/54/1073299054.db2.gz HCLQPJUMIAPUJO-QKPAOTATSA-N 2 1 380.489 -0.176 20 0 GBADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CC1 ZINC001087969195 1073337282 /nfs/dbraw/zinc/33/72/82/1073337282.db2.gz HNTCOMRRWFKKKE-NTDBWNAOSA-N 2 1 378.517 -0.001 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCOCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087970682 1073338820 /nfs/dbraw/zinc/33/88/20/1073338820.db2.gz KINWTIVBBKPVKI-ZJPYXAASSA-N 2 1 378.517 -0.034 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCOCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087970682 1073338810 /nfs/dbraw/zinc/33/88/10/1073338810.db2.gz KINWTIVBBKPVKI-ZJPYXAASSA-N 2 1 378.517 -0.034 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCOCC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087970682 1073338798 /nfs/dbraw/zinc/33/87/98/1073338798.db2.gz KINWTIVBBKPVKI-ZJPYXAASSA-N 2 1 378.517 -0.034 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCNC(=O)C4)CC[C@@H]3C2)CC[NH+]1C ZINC001087970977 1073339012 /nfs/dbraw/zinc/33/90/12/1073339012.db2.gz YVMYJNWHHJJXQB-WCXIOVBPSA-N 2 1 391.516 -0.935 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCNC(=O)C4)CC[C@@H]3C2)CC[NH+]1C ZINC001087970977 1073339008 /nfs/dbraw/zinc/33/90/08/1073339008.db2.gz YVMYJNWHHJJXQB-WCXIOVBPSA-N 2 1 391.516 -0.935 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCNC(=O)C4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087970977 1073339004 /nfs/dbraw/zinc/33/90/04/1073339004.db2.gz YVMYJNWHHJJXQB-WCXIOVBPSA-N 2 1 391.516 -0.935 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCNC(=O)C4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087970977 1073339001 /nfs/dbraw/zinc/33/90/01/1073339001.db2.gz YVMYJNWHHJJXQB-WCXIOVBPSA-N 2 1 391.516 -0.935 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971216 1073339286 /nfs/dbraw/zinc/33/92/86/1073339286.db2.gz LKFUQXHSBFGFDS-LVQVYYBASA-N 2 1 377.489 -0.341 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971216 1073339275 /nfs/dbraw/zinc/33/92/75/1073339275.db2.gz LKFUQXHSBFGFDS-LVQVYYBASA-N 2 1 377.489 -0.341 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971216 1073339263 /nfs/dbraw/zinc/33/92/63/1073339263.db2.gz LKFUQXHSBFGFDS-LVQVYYBASA-N 2 1 377.489 -0.341 20 0 GBADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088000454 1073371693 /nfs/dbraw/zinc/37/16/93/1073371693.db2.gz IBPHFHCSMBSJCZ-LXTVHRRPSA-N 2 1 386.456 -0.155 20 0 GBADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088000454 1073371687 /nfs/dbraw/zinc/37/16/87/1073371687.db2.gz IBPHFHCSMBSJCZ-LXTVHRRPSA-N 2 1 386.456 -0.155 20 0 GBADMP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088000454 1073371685 /nfs/dbraw/zinc/37/16/85/1073371685.db2.gz IBPHFHCSMBSJCZ-LXTVHRRPSA-N 2 1 386.456 -0.155 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)O1 ZINC001088011425 1073374702 /nfs/dbraw/zinc/37/47/02/1073374702.db2.gz MRQKHCQKTKTVIA-WCXIOVBPSA-N 2 1 392.500 -0.365 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)O1 ZINC001088011425 1073374691 /nfs/dbraw/zinc/37/46/91/1073374691.db2.gz MRQKHCQKTKTVIA-WCXIOVBPSA-N 2 1 392.500 -0.365 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)O1 ZINC001088011425 1073374682 /nfs/dbraw/zinc/37/46/82/1073374682.db2.gz MRQKHCQKTKTVIA-WCXIOVBPSA-N 2 1 392.500 -0.365 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)O1 ZINC001088011425 1073374671 /nfs/dbraw/zinc/37/46/71/1073374671.db2.gz MRQKHCQKTKTVIA-WCXIOVBPSA-N 2 1 392.500 -0.365 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)O1 ZINC001088011688 1073375225 /nfs/dbraw/zinc/37/52/25/1073375225.db2.gz YVHMDSDCBLHSRD-LVQVYYBASA-N 2 1 393.488 -0.962 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)O1 ZINC001088011688 1073375216 /nfs/dbraw/zinc/37/52/16/1073375216.db2.gz YVHMDSDCBLHSRD-LVQVYYBASA-N 2 1 393.488 -0.962 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)O1 ZINC001088011688 1073375206 /nfs/dbraw/zinc/37/52/06/1073375206.db2.gz YVHMDSDCBLHSRD-LVQVYYBASA-N 2 1 393.488 -0.962 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)O1 ZINC001088011688 1073375196 /nfs/dbraw/zinc/37/51/96/1073375196.db2.gz YVHMDSDCBLHSRD-LVQVYYBASA-N 2 1 393.488 -0.962 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)O1 ZINC001088012223 1073374901 /nfs/dbraw/zinc/37/49/01/1073374901.db2.gz YVSHFDOXTOZBEZ-WCXIOVBPSA-N 2 1 379.505 -0.489 20 0 GBADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)O1 ZINC001088012223 1073374890 /nfs/dbraw/zinc/37/48/90/1073374890.db2.gz YVSHFDOXTOZBEZ-WCXIOVBPSA-N 2 1 379.505 -0.489 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)O1 ZINC001088012223 1073374880 /nfs/dbraw/zinc/37/48/80/1073374880.db2.gz YVSHFDOXTOZBEZ-WCXIOVBPSA-N 2 1 379.505 -0.489 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)O1 ZINC001088012223 1073374868 /nfs/dbraw/zinc/37/48/68/1073374868.db2.gz YVSHFDOXTOZBEZ-WCXIOVBPSA-N 2 1 379.505 -0.489 20 0 GBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104346503 1072571295 /nfs/dbraw/zinc/57/12/95/1072571295.db2.gz DVNLSEOXHOHUGW-KLHDSHLOSA-N 2 1 390.550 -0.671 20 0 GBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104346503 1072571288 /nfs/dbraw/zinc/57/12/88/1072571288.db2.gz DVNLSEOXHOHUGW-KLHDSHLOSA-N 2 1 390.550 -0.671 20 0 GBADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347186 1072572517 /nfs/dbraw/zinc/57/25/17/1072572517.db2.gz RUXFLCOVTGKKBE-KBUPBQIOSA-N 2 1 383.493 -0.765 20 0 GBADMP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347186 1072572511 /nfs/dbraw/zinc/57/25/11/1072572511.db2.gz RUXFLCOVTGKKBE-KBUPBQIOSA-N 2 1 383.493 -0.765 20 0 GBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104347361 1072572620 /nfs/dbraw/zinc/57/26/20/1072572620.db2.gz WPRAEBTWVDUJEZ-QBPKDAKJSA-N 2 1 381.521 -0.195 20 0 GBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104347361 1072572608 /nfs/dbraw/zinc/57/26/08/1072572608.db2.gz WPRAEBTWVDUJEZ-QBPKDAKJSA-N 2 1 381.521 -0.195 20 0 GBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104347371 1072572287 /nfs/dbraw/zinc/57/22/87/1072572287.db2.gz XAXXMUQKVKLJNX-KLHDSHLOSA-N 2 1 375.535 -0.176 20 0 GBADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104347371 1072572281 /nfs/dbraw/zinc/57/22/81/1072572281.db2.gz XAXXMUQKVKLJNX-KLHDSHLOSA-N 2 1 375.535 -0.176 20 0 GBADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)O1 ZINC001112121358 1073870426 /nfs/dbraw/zinc/87/04/26/1073870426.db2.gz IUUTXCINVLTMBT-AAVRWANBSA-N 2 1 383.411 -0.307 20 0 GBADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C2)O1 ZINC001112121358 1073870419 /nfs/dbraw/zinc/87/04/19/1073870419.db2.gz IUUTXCINVLTMBT-AAVRWANBSA-N 2 1 383.411 -0.307 20 0 GBADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)n2)CC1 ZINC001164678037 719581878 /nfs/dbraw/zinc/58/18/78/719581878.db2.gz GZTWGIFWDIMTNF-UHFFFAOYSA-N 2 1 399.503 -0.152 20 0 GBADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164716799 720213190 /nfs/dbraw/zinc/21/31/90/720213190.db2.gz FFMRUOKHFQBFOK-FQEVSTJZSA-N 2 1 388.516 -0.170 20 0 GBADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164716799 720213186 /nfs/dbraw/zinc/21/31/86/720213186.db2.gz FFMRUOKHFQBFOK-FQEVSTJZSA-N 2 1 388.516 -0.170 20 0 GBADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164716802 720213102 /nfs/dbraw/zinc/21/31/02/720213102.db2.gz FFMRUOKHFQBFOK-HXUWFJFHSA-N 2 1 388.516 -0.170 20 0 GBADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164716802 720213097 /nfs/dbraw/zinc/21/30/97/720213097.db2.gz FFMRUOKHFQBFOK-HXUWFJFHSA-N 2 1 388.516 -0.170 20 0 GBADMP Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571205771 953042143 /nfs/dbraw/zinc/04/21/43/953042143.db2.gz LSMLDABFXSIMDJ-HZPDHXFCSA-N 2 1 382.428 -0.496 20 0 GBADMP CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001571242728 953259715 /nfs/dbraw/zinc/25/97/15/953259715.db2.gz MPQGUSNYDDHVDW-UKRRQHHQSA-N 2 1 384.444 -0.323 20 0 GBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264035 945473548 /nfs/dbraw/zinc/47/35/48/945473548.db2.gz FBUZAKTXAPJJNR-OIISXLGYSA-N 2 1 385.472 -0.130 20 0 GBADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264035 945473541 /nfs/dbraw/zinc/47/35/41/945473541.db2.gz FBUZAKTXAPJJNR-OIISXLGYSA-N 2 1 385.472 -0.130 20 0 GBADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264035 945473538 /nfs/dbraw/zinc/47/35/38/945473538.db2.gz FBUZAKTXAPJJNR-OIISXLGYSA-N 2 1 385.472 -0.130 20 0 GBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264036 945473899 /nfs/dbraw/zinc/47/38/99/945473899.db2.gz FBUZAKTXAPJJNR-UAGQMJEPSA-N 2 1 385.472 -0.130 20 0 GBADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264036 945473895 /nfs/dbraw/zinc/47/38/95/945473895.db2.gz FBUZAKTXAPJJNR-UAGQMJEPSA-N 2 1 385.472 -0.130 20 0 GBADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001571264036 945473892 /nfs/dbraw/zinc/47/38/92/945473892.db2.gz FBUZAKTXAPJJNR-UAGQMJEPSA-N 2 1 385.472 -0.130 20 0 GBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)CC1 ZINC001571264190 945477976 /nfs/dbraw/zinc/47/79/76/945477976.db2.gz IJSHJMYYAZIJKN-IAGOWNOFSA-N 2 1 385.472 -0.130 20 0 GBADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)CC1 ZINC001571264190 945477969 /nfs/dbraw/zinc/47/79/69/945477969.db2.gz IJSHJMYYAZIJKN-IAGOWNOFSA-N 2 1 385.472 -0.130 20 0 GBADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571272172 945655985 /nfs/dbraw/zinc/65/59/85/945655985.db2.gz ABXHBWJDHNFCJR-KBPBESRZSA-N 2 1 386.460 -0.335 20 0 GBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571272173 945655597 /nfs/dbraw/zinc/65/55/97/945655597.db2.gz ABXHBWJDHNFCJR-KGLIPLIRSA-N 2 1 386.460 -0.335 20 0 GBADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571272174 945656668 /nfs/dbraw/zinc/65/66/68/945656668.db2.gz ABXHBWJDHNFCJR-UONOGXRCSA-N 2 1 386.460 -0.335 20 0 GBADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571272175 945656756 /nfs/dbraw/zinc/65/67/56/945656756.db2.gz ABXHBWJDHNFCJR-ZIAGYGMSSA-N 2 1 386.460 -0.335 20 0 GBADMP Cc1cc(N2CCO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571272996 945675403 /nfs/dbraw/zinc/67/54/03/945675403.db2.gz MMIZCZRODMMRKP-DZGCQCFKSA-N 2 1 386.460 -0.014 20 0 GBADMP Cc1cc(N2CCO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571272997 945675096 /nfs/dbraw/zinc/67/50/96/945675096.db2.gz MMIZCZRODMMRKP-UKRRQHHQSA-N 2 1 386.460 -0.014 20 0 GBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001571273503 945691103 /nfs/dbraw/zinc/69/11/03/945691103.db2.gz YPYNSJUGWNKMGU-HZSPNIEDSA-N 2 1 386.460 -0.077 20 0 GBADMP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571273503 945691097 /nfs/dbraw/zinc/69/10/97/945691097.db2.gz YPYNSJUGWNKMGU-HZSPNIEDSA-N 2 1 386.460 -0.077 20 0 GBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001571273504 945690528 /nfs/dbraw/zinc/69/05/28/945690528.db2.gz YPYNSJUGWNKMGU-MGPQQGTHSA-N 2 1 386.460 -0.077 20 0 GBADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571273504 945690522 /nfs/dbraw/zinc/69/05/22/945690522.db2.gz YPYNSJUGWNKMGU-MGPQQGTHSA-N 2 1 386.460 -0.077 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CCOCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196630 950367610 /nfs/dbraw/zinc/36/76/10/950367610.db2.gz FKKONZGTCMKXMK-AWEZNQCLSA-N 2 1 388.476 -0.088 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCOCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196633 950367470 /nfs/dbraw/zinc/36/74/70/950367470.db2.gz FKKONZGTCMKXMK-CQSZACIVSA-N 2 1 388.476 -0.088 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204683 950469533 /nfs/dbraw/zinc/46/95/33/950469533.db2.gz AFVLSCXSSSCIHD-GXTWGEPZSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204684 950467655 /nfs/dbraw/zinc/46/76/55/950467655.db2.gz AFVLSCXSSSCIHD-JSGCOSHPSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204685 950468258 /nfs/dbraw/zinc/46/82/58/950468258.db2.gz AFVLSCXSSSCIHD-OCCSQVGLSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204686 950467077 /nfs/dbraw/zinc/46/70/77/950467077.db2.gz AFVLSCXSSSCIHD-TZMCWYRMSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205031 950493508 /nfs/dbraw/zinc/49/35/08/950493508.db2.gz FTHJLNBGTYABFZ-DOMZBBRYSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205032 950491636 /nfs/dbraw/zinc/49/16/36/950491636.db2.gz FTHJLNBGTYABFZ-IUODEOHRSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205033 950490924 /nfs/dbraw/zinc/49/09/24/950490924.db2.gz FTHJLNBGTYABFZ-SWLSCSKDSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205034 950491979 /nfs/dbraw/zinc/49/19/79/950491979.db2.gz FTHJLNBGTYABFZ-WFASDCNBSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205295 950509453 /nfs/dbraw/zinc/50/94/53/950509453.db2.gz WTIQUOCEGQQVSZ-KBPBESRZSA-N 2 1 386.460 -0.335 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205296 950508601 /nfs/dbraw/zinc/50/86/01/950508601.db2.gz WTIQUOCEGQQVSZ-KGLIPLIRSA-N 2 1 386.460 -0.335 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205297 950506633 /nfs/dbraw/zinc/50/66/33/950506633.db2.gz WTIQUOCEGQQVSZ-UONOGXRCSA-N 2 1 386.460 -0.335 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205298 950507023 /nfs/dbraw/zinc/50/70/23/950507023.db2.gz WTIQUOCEGQQVSZ-ZIAGYGMSSA-N 2 1 386.460 -0.335 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205618 950528847 /nfs/dbraw/zinc/52/88/47/950528847.db2.gz LDHWHIBLRSABMT-DOMZBBRYSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205619 950529287 /nfs/dbraw/zinc/52/92/87/950529287.db2.gz LDHWHIBLRSABMT-IUODEOHRSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205620 950527436 /nfs/dbraw/zinc/52/74/36/950527436.db2.gz LDHWHIBLRSABMT-SWLSCSKDSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205621 950528437 /nfs/dbraw/zinc/52/84/37/950528437.db2.gz LDHWHIBLRSABMT-WFASDCNBSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205645 950530198 /nfs/dbraw/zinc/53/01/98/950530198.db2.gz LRHRKLCWJTXDGZ-DOMZBBRYSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205645 950530182 /nfs/dbraw/zinc/53/01/82/950530182.db2.gz LRHRKLCWJTXDGZ-DOMZBBRYSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205646 950527747 /nfs/dbraw/zinc/52/77/47/950527747.db2.gz LRHRKLCWJTXDGZ-IUODEOHRSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205646 950527731 /nfs/dbraw/zinc/52/77/31/950527731.db2.gz LRHRKLCWJTXDGZ-IUODEOHRSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205647 950527669 /nfs/dbraw/zinc/52/76/69/950527669.db2.gz LRHRKLCWJTXDGZ-SWLSCSKDSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205647 950527654 /nfs/dbraw/zinc/52/76/54/950527654.db2.gz LRHRKLCWJTXDGZ-SWLSCSKDSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205648 950529442 /nfs/dbraw/zinc/52/94/42/950529442.db2.gz LRHRKLCWJTXDGZ-WFASDCNBSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576205648 950529423 /nfs/dbraw/zinc/52/94/23/950529423.db2.gz LRHRKLCWJTXDGZ-WFASDCNBSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205943 950550521 /nfs/dbraw/zinc/55/05/21/950550521.db2.gz RNKXAXQZJHPZMO-GXTWGEPZSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205944 950546598 /nfs/dbraw/zinc/54/65/98/950546598.db2.gz RNKXAXQZJHPZMO-JSGCOSHPSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205945 950548868 /nfs/dbraw/zinc/54/88/68/950548868.db2.gz RNKXAXQZJHPZMO-OCCSQVGLSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205946 950550338 /nfs/dbraw/zinc/55/03/38/950550338.db2.gz RNKXAXQZJHPZMO-TZMCWYRMSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206091 950557486 /nfs/dbraw/zinc/55/74/86/950557486.db2.gz UKFDTGUIVJTXQY-NEPJUHHUSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206092 950560885 /nfs/dbraw/zinc/56/08/85/950560885.db2.gz UKFDTGUIVJTXQY-NWDGAFQWSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206093 950557639 /nfs/dbraw/zinc/55/76/39/950557639.db2.gz UKFDTGUIVJTXQY-RYUDHWBXSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206094 950560041 /nfs/dbraw/zinc/56/00/41/950560041.db2.gz UKFDTGUIVJTXQY-VXGBXAGGSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206241 950563551 /nfs/dbraw/zinc/56/35/51/950563551.db2.gz VTLDULTYNUARAG-NEPJUHHUSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206242 950565682 /nfs/dbraw/zinc/56/56/82/950565682.db2.gz VTLDULTYNUARAG-NWDGAFQWSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206243 950566911 /nfs/dbraw/zinc/56/69/11/950566911.db2.gz VTLDULTYNUARAG-RYUDHWBXSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206245 950566779 /nfs/dbraw/zinc/56/67/79/950566779.db2.gz VTLDULTYNUARAG-VXGBXAGGSA-N 2 1 379.490 -0.163 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206634 950577238 /nfs/dbraw/zinc/57/72/38/950577238.db2.gz YLRSHAOGMHSSAU-DOMZBBRYSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206634 950577219 /nfs/dbraw/zinc/57/72/19/950577219.db2.gz YLRSHAOGMHSSAU-DOMZBBRYSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206635 950577089 /nfs/dbraw/zinc/57/70/89/950577089.db2.gz YLRSHAOGMHSSAU-IUODEOHRSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206635 950577069 /nfs/dbraw/zinc/57/70/69/950577069.db2.gz YLRSHAOGMHSSAU-IUODEOHRSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206636 950575920 /nfs/dbraw/zinc/57/59/20/950575920.db2.gz YLRSHAOGMHSSAU-SWLSCSKDSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206636 950575900 /nfs/dbraw/zinc/57/59/00/950575900.db2.gz YLRSHAOGMHSSAU-SWLSCSKDSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206637 950577916 /nfs/dbraw/zinc/57/79/16/950577916.db2.gz YLRSHAOGMHSSAU-WFASDCNBSA-N 2 1 391.451 -0.086 20 0 GBADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576206637 950577893 /nfs/dbraw/zinc/57/78/93/950577893.db2.gz YLRSHAOGMHSSAU-WFASDCNBSA-N 2 1 391.451 -0.086 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366143 992373844 /nfs/dbraw/zinc/37/38/44/992373844.db2.gz MDDCRJOMQVHTCW-MKSNKDDYSA-N 2 1 382.505 -0.417 20 0 GBADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366143 992373837 /nfs/dbraw/zinc/37/38/37/992373837.db2.gz MDDCRJOMQVHTCW-MKSNKDDYSA-N 2 1 382.505 -0.417 20 0 GBADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366143 992373828 /nfs/dbraw/zinc/37/38/28/992373828.db2.gz MDDCRJOMQVHTCW-MKSNKDDYSA-N 2 1 382.505 -0.417 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366144 992374461 /nfs/dbraw/zinc/37/44/61/992374461.db2.gz MDDCRJOMQVHTCW-RCJHGTSTSA-N 2 1 382.505 -0.417 20 0 GBADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366144 992374454 /nfs/dbraw/zinc/37/44/54/992374454.db2.gz MDDCRJOMQVHTCW-RCJHGTSTSA-N 2 1 382.505 -0.417 20 0 GBADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366144 992374448 /nfs/dbraw/zinc/37/44/48/992374448.db2.gz MDDCRJOMQVHTCW-RCJHGTSTSA-N 2 1 382.505 -0.417 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001631811532 1070919873 /nfs/dbraw/zinc/91/98/73/1070919873.db2.gz QTOVUAJCHPJPHS-JTDSTZFVSA-N 2 1 397.520 -0.901 20 0 GBADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001631811532 1070919856 /nfs/dbraw/zinc/91/98/56/1070919856.db2.gz QTOVUAJCHPJPHS-JTDSTZFVSA-N 2 1 397.520 -0.901 20 0 GBADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001631811532 1070919840 /nfs/dbraw/zinc/91/98/40/1070919840.db2.gz QTOVUAJCHPJPHS-JTDSTZFVSA-N 2 1 397.520 -0.901 20 0 GBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)C1 ZINC001631811533 1070920023 /nfs/dbraw/zinc/92/00/23/1070920023.db2.gz QTOVUAJCHPJPHS-TXPKVOOTSA-N 2 1 397.520 -0.901 20 0 GBADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)C1 ZINC001631811533 1070920013 /nfs/dbraw/zinc/92/00/13/1070920013.db2.gz QTOVUAJCHPJPHS-TXPKVOOTSA-N 2 1 397.520 -0.901 20 0 GBADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001631811533 1070920007 /nfs/dbraw/zinc/92/00/07/1070920007.db2.gz QTOVUAJCHPJPHS-TXPKVOOTSA-N 2 1 397.520 -0.901 20 0 GBADMP C[C@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001633004869 1070962156 /nfs/dbraw/zinc/96/21/56/1070962156.db2.gz SKGMVNJZKQBXSR-DLBZAZTESA-N 2 1 383.537 -0.199 20 0 GBADMP C[C@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001633004869 1070962148 /nfs/dbraw/zinc/96/21/48/1070962148.db2.gz SKGMVNJZKQBXSR-DLBZAZTESA-N 2 1 383.537 -0.199 20 0 GBADMP C[C@@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001633004885 1070962280 /nfs/dbraw/zinc/96/22/80/1070962280.db2.gz SKGMVNJZKQBXSR-IAGOWNOFSA-N 2 1 383.537 -0.199 20 0 GBADMP C[C@@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001633004885 1070962273 /nfs/dbraw/zinc/96/22/73/1070962273.db2.gz SKGMVNJZKQBXSR-IAGOWNOFSA-N 2 1 383.537 -0.199 20 0 GBADMP C[C@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001633004886 1070962354 /nfs/dbraw/zinc/96/23/54/1070962354.db2.gz SKGMVNJZKQBXSR-IRXDYDNUSA-N 2 1 383.537 -0.199 20 0 GBADMP C[C@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001633004886 1070962348 /nfs/dbraw/zinc/96/23/48/1070962348.db2.gz SKGMVNJZKQBXSR-IRXDYDNUSA-N 2 1 383.537 -0.199 20 0 GBADMP C[C@@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001633004887 1070962737 /nfs/dbraw/zinc/96/27/37/1070962737.db2.gz SKGMVNJZKQBXSR-SJORKVTESA-N 2 1 383.537 -0.199 20 0 GBADMP C[C@@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001633004887 1070962733 /nfs/dbraw/zinc/96/27/33/1070962733.db2.gz SKGMVNJZKQBXSR-SJORKVTESA-N 2 1 383.537 -0.199 20 0 GBADMP CNS(=O)(=O)NCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001634987313 1071035032 /nfs/dbraw/zinc/03/50/32/1071035032.db2.gz RPUAZCUBUFYSIO-UHFFFAOYSA-N 2 1 389.566 -0.305 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918301 1071106799 /nfs/dbraw/zinc/10/67/99/1071106799.db2.gz KIXJAYCNEQOAMU-HOTGVXAUSA-N 2 1 394.520 -0.726 20 0 GBADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918301 1071106797 /nfs/dbraw/zinc/10/67/97/1071106797.db2.gz KIXJAYCNEQOAMU-HOTGVXAUSA-N 2 1 394.520 -0.726 20 0 GBADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918301 1071106791 /nfs/dbraw/zinc/10/67/91/1071106791.db2.gz KIXJAYCNEQOAMU-HOTGVXAUSA-N 2 1 394.520 -0.726 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918302 1071106858 /nfs/dbraw/zinc/10/68/58/1071106858.db2.gz KIXJAYCNEQOAMU-JKSUJKDBSA-N 2 1 394.520 -0.726 20 0 GBADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918302 1071106851 /nfs/dbraw/zinc/10/68/51/1071106851.db2.gz KIXJAYCNEQOAMU-JKSUJKDBSA-N 2 1 394.520 -0.726 20 0 GBADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918302 1071106845 /nfs/dbraw/zinc/10/68/45/1071106845.db2.gz KIXJAYCNEQOAMU-JKSUJKDBSA-N 2 1 394.520 -0.726 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001640281867 1071240256 /nfs/dbraw/zinc/24/02/56/1071240256.db2.gz XHOCDODJFHZZMF-RKTXRCNFSA-N 2 1 394.520 -0.702 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001640281867 1071240252 /nfs/dbraw/zinc/24/02/52/1071240252.db2.gz XHOCDODJFHZZMF-RKTXRCNFSA-N 2 1 394.520 -0.702 20 0 GBADMP O=C(CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC001642465696 1071299696 /nfs/dbraw/zinc/29/96/96/1071299696.db2.gz VJCPUBNIZHGDKZ-UHFFFAOYSA-N 2 1 396.410 -0.076 20 0 GBADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cc21 ZINC001643701619 1071344396 /nfs/dbraw/zinc/34/43/96/1071344396.db2.gz SEZYLMXZAKNHHT-GOSISDBHSA-N 2 1 377.445 -0.616 20 0 GBADMP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cc21 ZINC001643701620 1071344488 /nfs/dbraw/zinc/34/44/88/1071344488.db2.gz SEZYLMXZAKNHHT-SFHVURJKSA-N 2 1 377.445 -0.616 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827398 1071349660 /nfs/dbraw/zinc/34/96/60/1071349660.db2.gz KFOAKYPIBXXIQG-BMFZPTHFSA-N 2 1 390.488 -0.484 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827398 1071349648 /nfs/dbraw/zinc/34/96/48/1071349648.db2.gz KFOAKYPIBXXIQG-BMFZPTHFSA-N 2 1 390.488 -0.484 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827399 1071350075 /nfs/dbraw/zinc/35/00/75/1071350075.db2.gz KFOAKYPIBXXIQG-BPUTZDHNSA-N 2 1 390.488 -0.484 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827399 1071350062 /nfs/dbraw/zinc/35/00/62/1071350062.db2.gz KFOAKYPIBXXIQG-BPUTZDHNSA-N 2 1 390.488 -0.484 20 0 GBADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827400 1071349912 /nfs/dbraw/zinc/34/99/12/1071349912.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 2 1 390.488 -0.484 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827400 1071349895 /nfs/dbraw/zinc/34/98/95/1071349895.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 2 1 390.488 -0.484 20 0 GBADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1=O ZINC001643827401 1071349759 /nfs/dbraw/zinc/34/97/59/1071349759.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 2 1 390.488 -0.484 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827401 1071349746 /nfs/dbraw/zinc/34/97/46/1071349746.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 2 1 390.488 -0.484 20 0 GBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001644007567 1071357941 /nfs/dbraw/zinc/35/79/41/1071357941.db2.gz RYRATUAFKWMWDB-UHFFFAOYSA-N 2 1 378.473 -0.445 20 0 GBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1=O ZINC001644702631 1071388854 /nfs/dbraw/zinc/38/88/54/1071388854.db2.gz KVZKHKVQLDBEAN-VSZNYVQBSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1=O ZINC001644702631 1071388838 /nfs/dbraw/zinc/38/88/38/1071388838.db2.gz KVZKHKVQLDBEAN-VSZNYVQBSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702631 1071388824 /nfs/dbraw/zinc/38/88/24/1071388824.db2.gz KVZKHKVQLDBEAN-VSZNYVQBSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1=O ZINC001644702632 1071388909 /nfs/dbraw/zinc/38/89/09/1071388909.db2.gz KVZKHKVQLDBEAN-XLAORIBOSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1=O ZINC001644702632 1071388895 /nfs/dbraw/zinc/38/88/95/1071388895.db2.gz KVZKHKVQLDBEAN-XLAORIBOSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702632 1071388885 /nfs/dbraw/zinc/38/88/85/1071388885.db2.gz KVZKHKVQLDBEAN-XLAORIBOSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1=O ZINC001644702633 1071388752 /nfs/dbraw/zinc/38/87/52/1071388752.db2.gz KVZKHKVQLDBEAN-XWTMOSNGSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1=O ZINC001644702633 1071388737 /nfs/dbraw/zinc/38/87/37/1071388737.db2.gz KVZKHKVQLDBEAN-XWTMOSNGSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702633 1071388720 /nfs/dbraw/zinc/38/87/20/1071388720.db2.gz KVZKHKVQLDBEAN-XWTMOSNGSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1=O ZINC001644702634 1071388955 /nfs/dbraw/zinc/38/89/55/1071388955.db2.gz KVZKHKVQLDBEAN-ZJPYXAASSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1=O ZINC001644702634 1071388944 /nfs/dbraw/zinc/38/89/44/1071388944.db2.gz KVZKHKVQLDBEAN-ZJPYXAASSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702634 1071388934 /nfs/dbraw/zinc/38/89/34/1071388934.db2.gz KVZKHKVQLDBEAN-ZJPYXAASSA-N 2 1 378.517 -0.013 20 0 GBADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)CNS(N)(=O)=O)CC2)CC1 ZINC001651241295 1071517675 /nfs/dbraw/zinc/51/76/75/1071517675.db2.gz HSQWXCOBVQVIQM-UHFFFAOYSA-N 2 1 389.566 -0.129 20 0 GBADMP Nc1ncc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC001653850348 1071566954 /nfs/dbraw/zinc/56/69/54/1071566954.db2.gz UZGLRHGYIVTNKX-UHFFFAOYSA-N 2 1 377.474 -0.056 20 0 GBADMP NC(=O)[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C(N)=O ZINC001654229731 1071573716 /nfs/dbraw/zinc/57/37/16/1071573716.db2.gz TWSKDQAIBWARLD-CALCHBBNSA-N 2 1 387.484 -0.583 20 0 GBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)CO)CC1 ZINC001654817023 1071584911 /nfs/dbraw/zinc/58/49/11/1071584911.db2.gz NFAVXXFVLJHDLA-HNNXBMFYSA-N 2 1 388.509 -0.670 20 0 GBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)CO)CC1 ZINC001654817023 1071584909 /nfs/dbraw/zinc/58/49/09/1071584909.db2.gz NFAVXXFVLJHDLA-HNNXBMFYSA-N 2 1 388.509 -0.670 20 0 GBADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)CC1 ZINC001654817024 1071584875 /nfs/dbraw/zinc/58/48/75/1071584875.db2.gz NFAVXXFVLJHDLA-OAHLLOKOSA-N 2 1 388.509 -0.670 20 0 GBADMP C[NH+]1CCN(C(=O)CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)CC1 ZINC001654817024 1071584874 /nfs/dbraw/zinc/58/48/74/1071584874.db2.gz NFAVXXFVLJHDLA-OAHLLOKOSA-N 2 1 388.509 -0.670 20 0 GBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001655212651 1071590389 /nfs/dbraw/zinc/59/03/89/1071590389.db2.gz XXUSIMAKNJUCHN-UHFFFAOYSA-N 2 1 398.529 -0.619 20 0 GBADMP CN(C)C(=O)CN1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001655520783 1071595268 /nfs/dbraw/zinc/59/52/68/1071595268.db2.gz SRUFODFHOHGLHZ-UHFFFAOYSA-N 2 1 375.521 -0.129 20 0 GBADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(CCS(C)(=O)=O)CC3)cn2)CC1 ZINC001655528872 1071595629 /nfs/dbraw/zinc/59/56/29/1071595629.db2.gz KWIKJSQLPGTERF-UHFFFAOYSA-N 2 1 396.561 -0.173 20 0 GBADMP CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001655532489 1071595588 /nfs/dbraw/zinc/59/55/88/1071595588.db2.gz FIRASGABZANDDL-UHFFFAOYSA-N 2 1 389.504 -0.601 20 0 GBADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C(=O)NCC(N)=O)cc3)cn2)CC1 ZINC001656798995 1071613845 /nfs/dbraw/zinc/61/38/45/1071613845.db2.gz VYROSOALCAKEQL-UHFFFAOYSA-N 2 1 397.483 -0.267 20 0 GBADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC001659619166 1071634196 /nfs/dbraw/zinc/63/41/96/1071634196.db2.gz OJZOHMKXAFANAV-UHFFFAOYSA-N 2 1 396.513 -0.388 20 0 GBADMP CN1CCN(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001661721244 1071659759 /nfs/dbraw/zinc/65/97/59/1071659759.db2.gz CJAKDTCHFBOVCI-UHFFFAOYSA-N 2 1 382.534 -0.325 20 0 GBADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001668851985 1071773535 /nfs/dbraw/zinc/77/35/35/1071773535.db2.gz YZKXSXHOMYFCNN-KRWDZBQOSA-N 2 1 382.553 -0.672 20 0 GBADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001668851986 1071773117 /nfs/dbraw/zinc/77/31/17/1071773117.db2.gz YZKXSXHOMYFCNN-QGZVFWFLSA-N 2 1 382.553 -0.672 20 0 GBADMP C[NH+](C)C[C@@H]1CN(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)C[C@H]1C[NH+](C)C ZINC001675472035 1071838301 /nfs/dbraw/zinc/83/83/01/1071838301.db2.gz ZDEPBVXWTJPSCM-VXGBXAGGSA-N 2 1 378.481 -0.100 20 0 GBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001682202824 1071929865 /nfs/dbraw/zinc/92/98/65/1071929865.db2.gz KAOVCKNFHMHEHM-MGNMYUMUSA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001682202824 1071929860 /nfs/dbraw/zinc/92/98/60/1071929860.db2.gz KAOVCKNFHMHEHM-MGNMYUMUSA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC001682202824 1071929851 /nfs/dbraw/zinc/92/98/51/1071929851.db2.gz KAOVCKNFHMHEHM-MGNMYUMUSA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@@H]1CN(CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001682202824 1071929839 /nfs/dbraw/zinc/92/98/39/1071929839.db2.gz KAOVCKNFHMHEHM-MGNMYUMUSA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001682202826 1071929786 /nfs/dbraw/zinc/92/97/86/1071929786.db2.gz KAOVCKNFHMHEHM-XYTVBORESA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001682202826 1071929780 /nfs/dbraw/zinc/92/97/80/1071929780.db2.gz KAOVCKNFHMHEHM-XYTVBORESA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC001682202826 1071929773 /nfs/dbraw/zinc/92/97/73/1071929773.db2.gz KAOVCKNFHMHEHM-XYTVBORESA-N 2 1 381.521 -0.222 20 0 GBADMP C[C@H]1CN(CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001682202826 1071929761 /nfs/dbraw/zinc/92/97/61/1071929761.db2.gz KAOVCKNFHMHEHM-XYTVBORESA-N 2 1 381.521 -0.222 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2OC)CC[N@H+]1C ZINC001683231622 1071947926 /nfs/dbraw/zinc/94/79/26/1071947926.db2.gz XVYJHHNWJKYUKP-YLFCFFPRSA-N 2 1 384.521 -0.363 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001683785958 1071961761 /nfs/dbraw/zinc/96/17/61/1071961761.db2.gz BCNHTAYCBILBRJ-GJZGRUSLSA-N 2 1 377.555 -0.161 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001683785958 1071961753 /nfs/dbraw/zinc/96/17/53/1071961753.db2.gz BCNHTAYCBILBRJ-GJZGRUSLSA-N 2 1 377.555 -0.161 20 0 GBADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001683785959 1071961798 /nfs/dbraw/zinc/96/17/98/1071961798.db2.gz BCNHTAYCBILBRJ-LSDHHAIUSA-N 2 1 377.555 -0.161 20 0 GBADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001683785959 1071961791 /nfs/dbraw/zinc/96/17/91/1071961791.db2.gz BCNHTAYCBILBRJ-LSDHHAIUSA-N 2 1 377.555 -0.161 20 0 GBADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001683840992 1071962560 /nfs/dbraw/zinc/96/25/60/1071962560.db2.gz NVDIOAOTTVYKOE-INIZCTEOSA-N 2 1 396.536 -0.382 20 0 GBADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001687639127 1072054800 /nfs/dbraw/zinc/05/48/00/1072054800.db2.gz WZGRMFXXFQAFJS-AWEZNQCLSA-N 2 1 390.492 -0.025 20 0 GBADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001687639133 1072054574 /nfs/dbraw/zinc/05/45/74/1072054574.db2.gz WZGRMFXXFQAFJS-CQSZACIVSA-N 2 1 390.492 -0.025 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)CC[N@H+]1C ZINC001687869225 1072059233 /nfs/dbraw/zinc/05/92/33/1072059233.db2.gz ASOZGUYXNWZRFZ-VVLHAWIVSA-N 2 1 393.532 -0.511 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)CC[N@@H+]1C ZINC001687869225 1072059230 /nfs/dbraw/zinc/05/92/30/1072059230.db2.gz ASOZGUYXNWZRFZ-VVLHAWIVSA-N 2 1 393.532 -0.511 20 0 GBADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=O)NC)C2)CC[N@H+]1C ZINC001689032035 1072066626 /nfs/dbraw/zinc/06/66/26/1072066626.db2.gz KLHNMMIIXFTDKO-MWDXBVQZSA-N 2 1 376.505 -0.220 20 0 GBADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001689032182 1072066477 /nfs/dbraw/zinc/06/64/77/1072066477.db2.gz PLKJWFWZTOHHLI-NKGKWGDASA-N 2 1 388.516 -0.077 20 0 GBADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001692028526 1072079236 /nfs/dbraw/zinc/07/92/36/1072079236.db2.gz WRMGLQPAHLKCLC-KLHDSHLOSA-N 2 1 375.535 -0.176 20 0 GBADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001693519630 1072092274 /nfs/dbraw/zinc/09/22/74/1072092274.db2.gz ZOEAVSIBLARLJY-KRWDZBQOSA-N 2 1 393.536 -0.092 20 0 GBADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001693519634 1072092347 /nfs/dbraw/zinc/09/23/47/1072092347.db2.gz ZOEAVSIBLARLJY-QGZVFWFLSA-N 2 1 393.536 -0.092 20 0 GBADMP