smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444274 794956711 /nfs/dbraw/zinc/95/67/11/794956711.db2.gz VNRMTSUWFZBILH-MRXNPFEDSA-N 2 1 321.440 2.046 20 10 DECDMP COC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444274 794956715 /nfs/dbraw/zinc/95/67/15/794956715.db2.gz VNRMTSUWFZBILH-MRXNPFEDSA-N 2 1 321.440 2.046 20 10 DECDMP CCOCC[N@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116442246 794956766 /nfs/dbraw/zinc/95/67/66/794956766.db2.gz NIYWZZPGIMRQII-UHFFFAOYSA-N 2 1 323.456 2.436 20 10 DECDMP CCOCC[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116442246 794956769 /nfs/dbraw/zinc/95/67/69/794956769.db2.gz NIYWZZPGIMRQII-UHFFFAOYSA-N 2 1 323.456 2.436 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCCOC3)cc2F)CC1 ZINC001116496839 794960920 /nfs/dbraw/zinc/96/09/20/794960920.db2.gz VLQNZTSMGOIQGR-SFHVURJKSA-N 2 1 321.440 2.236 20 10 DECDMP COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139260152 796351868 /nfs/dbraw/zinc/35/18/68/796351868.db2.gz OSCPUBIKMYSZRF-CJNGLKHVSA-N 2 1 322.449 2.462 20 10 DECDMP C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407743 796372080 /nfs/dbraw/zinc/37/20/80/796372080.db2.gz CCTSJDNVBVXGMD-AEFFLSMTSA-N 2 1 317.477 2.031 20 10 DECDMP C[NH+](C)CCCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140341249 796509670 /nfs/dbraw/zinc/50/96/70/796509670.db2.gz GKCVAENGUZYIJO-UHFFFAOYSA-N 2 1 311.857 2.115 20 10 DECDMP CCC[NH+]1C[C@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141030932 796621309 /nfs/dbraw/zinc/62/13/09/796621309.db2.gz RFHZNWBQWKBRSB-KBPBESRZSA-N 2 1 320.433 2.183 20 10 DECDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205558895 800377337 /nfs/dbraw/zinc/37/73/37/800377337.db2.gz LGOHXBVCWJIJCS-GOSISDBHSA-N 2 1 321.440 2.176 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)ccc21 ZINC001205571647 800379047 /nfs/dbraw/zinc/37/90/47/800379047.db2.gz WUOUGUYMQSWHDJ-QGZVFWFLSA-N 2 1 307.413 2.168 20 10 DECDMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(O)c(OC)c1 ZINC001205655304 800395302 /nfs/dbraw/zinc/39/53/02/800395302.db2.gz ZDKDVJDODLFTPP-QWHCGFSZSA-N 2 1 308.422 2.216 20 10 DECDMP CCOCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001473918538 1060769088 /nfs/dbraw/zinc/76/90/88/1060769088.db2.gz ZQGOJGJZEDVSKU-UHFFFAOYSA-N 2 1 309.429 2.094 20 10 DECDMP Nc1cccc2c1CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236363130 1138356454 /nfs/dbraw/zinc/35/64/54/1138356454.db2.gz HTXXCLHDQQMAGK-UHFFFAOYSA-N 2 1 322.456 2.237 20 10 DECDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@H]2C1 ZINC001236755056 1138410367 /nfs/dbraw/zinc/41/03/67/1138410367.db2.gz YHVXARMJSKYLGC-HUUCEWRRSA-N 2 1 320.433 2.183 20 10 DECDMP CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236943567 1138463658 /nfs/dbraw/zinc/46/36/58/1138463658.db2.gz SUCAICKAEXGVMW-QGZVFWFLSA-N 2 1 321.440 2.188 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254523525 1143197440 /nfs/dbraw/zinc/19/74/40/1143197440.db2.gz OUFWZDKNYCXATD-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523525 1143197445 /nfs/dbraw/zinc/19/74/45/1143197445.db2.gz OUFWZDKNYCXATD-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523525 1143197458 /nfs/dbraw/zinc/19/74/58/1143197458.db2.gz OUFWZDKNYCXATD-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCO1 ZINC001325435779 1147909263 /nfs/dbraw/zinc/90/92/63/1147909263.db2.gz VPKNBWOUZJJJBE-MRXNPFEDSA-N 2 1 321.440 2.188 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCO1 ZINC001325435779 1147909269 /nfs/dbraw/zinc/90/92/69/1147909269.db2.gz VPKNBWOUZJJJBE-MRXNPFEDSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000368330409 533543392 /nfs/dbraw/zinc/54/33/92/533543392.db2.gz VWPOXEJDURMZJQ-HIFRSBDPSA-N 2 1 321.440 2.350 20 10 DECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514805 402744333 /nfs/dbraw/zinc/74/43/33/402744333.db2.gz JURIAJCXJJRZEE-HOCLYGCPSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000174514805 402744334 /nfs/dbraw/zinc/74/43/34/402744334.db2.gz JURIAJCXJJRZEE-HOCLYGCPSA-N 2 1 321.440 2.235 20 10 DECDMP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297668967 404585660 /nfs/dbraw/zinc/58/56/60/404585660.db2.gz KZGFCYSYXZNXDL-MRXNPFEDSA-N 2 1 304.434 2.470 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000367752030 405142939 /nfs/dbraw/zinc/14/29/39/405142939.db2.gz FMMXFXXFEFHJCA-QILLFSRXSA-N 2 1 320.433 2.084 20 10 DECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145920 225336812 /nfs/dbraw/zinc/33/68/12/225336812.db2.gz IWIGJSKJOYBDGF-DOTOQJQBSA-N 2 1 303.450 2.096 20 10 DECDMP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378371982 534195728 /nfs/dbraw/zinc/19/57/28/534195728.db2.gz QSYNPUCCARNXNK-JFIYKMOQSA-N 2 1 304.434 2.384 20 10 DECDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160319989 520247912 /nfs/dbraw/zinc/24/79/12/520247912.db2.gz QYUIZKWBNDJPNW-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160319989 520247917 /nfs/dbraw/zinc/24/79/17/520247917.db2.gz QYUIZKWBNDJPNW-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160319989 520247923 /nfs/dbraw/zinc/24/79/23/520247923.db2.gz QYUIZKWBNDJPNW-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160319989 520247929 /nfs/dbraw/zinc/24/79/29/520247929.db2.gz QYUIZKWBNDJPNW-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000160434114 522777635 /nfs/dbraw/zinc/77/76/35/522777635.db2.gz KNZUNKWGBAPEOM-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000160434114 522777646 /nfs/dbraw/zinc/77/76/46/522777646.db2.gz KNZUNKWGBAPEOM-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000160434114 522777658 /nfs/dbraw/zinc/77/76/58/522777658.db2.gz KNZUNKWGBAPEOM-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000162714018 625681803 /nfs/dbraw/zinc/68/18/03/625681803.db2.gz APTGHXOCLHIJOJ-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000162714018 625681808 /nfs/dbraw/zinc/68/18/08/625681808.db2.gz APTGHXOCLHIJOJ-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000162714018 625681813 /nfs/dbraw/zinc/68/18/13/625681813.db2.gz APTGHXOCLHIJOJ-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(O)c1OC ZINC000892226356 624856136 /nfs/dbraw/zinc/85/61/36/624856136.db2.gz GKDRMXIRSXFLSF-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c1OC ZINC000892226356 624856137 /nfs/dbraw/zinc/85/61/37/624856137.db2.gz GKDRMXIRSXFLSF-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(O)c1OC ZINC000892226356 624856138 /nfs/dbraw/zinc/85/61/38/624856138.db2.gz GKDRMXIRSXFLSF-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(O)c1OC ZINC000892226358 624856166 /nfs/dbraw/zinc/85/61/66/624856166.db2.gz GKDRMXIRSXFLSF-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c1OC ZINC000892226358 624856167 /nfs/dbraw/zinc/85/61/67/624856167.db2.gz GKDRMXIRSXFLSF-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c1OC ZINC000892226358 624856168 /nfs/dbraw/zinc/85/61/68/624856168.db2.gz GKDRMXIRSXFLSF-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(O)c1OC ZINC000892510717 625955657 /nfs/dbraw/zinc/95/56/57/625955657.db2.gz SBBIEDYHMAQLIM-GFCCVEGCSA-N 2 1 319.405 2.340 20 10 DECDMP Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922386446 636152284 /nfs/dbraw/zinc/15/22/84/636152284.db2.gz HHVPQKLSKQOHIY-OWYHZJEWSA-N 2 1 318.461 2.270 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000923425527 637170871 /nfs/dbraw/zinc/17/08/71/637170871.db2.gz ZTLNPZLGLRTBLZ-MDZRGWNJSA-N 2 1 317.477 2.471 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000923425527 637170874 /nfs/dbraw/zinc/17/08/74/637170874.db2.gz ZTLNPZLGLRTBLZ-MDZRGWNJSA-N 2 1 317.477 2.471 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923427269 637171621 /nfs/dbraw/zinc/17/16/21/637171621.db2.gz QPOMVVFWWHKBBC-UHFFFAOYSA-N 2 1 315.461 2.241 20 10 DECDMP CN1CCN(c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841073369 650423050 /nfs/dbraw/zinc/42/30/50/650423050.db2.gz RXZZBVCRYAOEGE-SFHVURJKSA-N 2 1 316.493 2.060 20 10 DECDMP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1O ZINC000756408224 639659865 /nfs/dbraw/zinc/65/98/65/639659865.db2.gz LGPNSSWFLXDMGE-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000775661610 642074734 /nfs/dbraw/zinc/07/47/34/642074734.db2.gz ONRGMTHWTOBKLJ-QFBILLFUSA-N 2 1 317.477 2.438 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC34CCC4)cc2)CC1 ZINC000775709668 642082203 /nfs/dbraw/zinc/08/22/03/642082203.db2.gz WPQZMUDGJZKRLJ-UHFFFAOYSA-N 2 1 315.461 2.193 20 10 DECDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467648 642268679 /nfs/dbraw/zinc/26/86/79/642268679.db2.gz MFSQCWKOQMOZND-VQIMIIECSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467648 642268683 /nfs/dbraw/zinc/26/86/83/642268683.db2.gz MFSQCWKOQMOZND-VQIMIIECSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467648 642268688 /nfs/dbraw/zinc/26/86/88/642268688.db2.gz MFSQCWKOQMOZND-VQIMIIECSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467648 642268694 /nfs/dbraw/zinc/26/86/94/642268694.db2.gz MFSQCWKOQMOZND-VQIMIIECSA-N 2 1 317.477 2.295 20 10 DECDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843124018 650900067 /nfs/dbraw/zinc/90/00/67/650900067.db2.gz UCCGEFLOSUEFDS-QGZVFWFLSA-N 2 1 303.450 2.227 20 10 DECDMP CN(CCC[N@@H+](C)Cc1c(O)cccc1Cl)CC[NH+](C)C ZINC000809787789 646283925 /nfs/dbraw/zinc/28/39/25/646283925.db2.gz JNHBIKSPMFDDPO-UHFFFAOYSA-N 2 1 313.873 2.361 20 10 DECDMP Oc1cccc2c1[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000817983986 647400850 /nfs/dbraw/zinc/40/08/50/647400850.db2.gz TVSAHCQQBHPGCG-JCYILVPMSA-N 2 1 315.461 2.186 20 10 DECDMP CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827855390 649095477 /nfs/dbraw/zinc/09/54/77/649095477.db2.gz BPOIZJLIEBNTCU-KRWDZBQOSA-N 2 1 322.449 2.334 20 10 DECDMP CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827855390 649095480 /nfs/dbraw/zinc/09/54/80/649095480.db2.gz BPOIZJLIEBNTCU-KRWDZBQOSA-N 2 1 322.449 2.334 20 10 DECDMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC000733329013 649544057 /nfs/dbraw/zinc/54/40/57/649544057.db2.gz KAXKEHRNNMJVJH-QGZVFWFLSA-N 2 1 320.433 2.134 20 10 DECDMP COc1cccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000846145230 651310745 /nfs/dbraw/zinc/31/07/45/651310745.db2.gz MIBNWGCEFRLJCZ-HNNXBMFYSA-N 2 1 321.465 2.079 20 10 DECDMP CCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000850395928 651919496 /nfs/dbraw/zinc/91/94/96/651919496.db2.gz FFDHCXOHZIDKDT-MRXNPFEDSA-N 2 1 320.433 2.134 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000850488086 651937516 /nfs/dbraw/zinc/93/75/16/651937516.db2.gz LBJYJDJJDPUELR-JYJNAYRXSA-N 2 1 303.450 2.346 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000850488086 651937521 /nfs/dbraw/zinc/93/75/21/651937521.db2.gz LBJYJDJJDPUELR-JYJNAYRXSA-N 2 1 303.450 2.346 20 10 DECDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000125232979 684143482 /nfs/dbraw/zinc/14/34/82/684143482.db2.gz QQFLYSLVLCMGRF-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000125232979 684143483 /nfs/dbraw/zinc/14/34/83/684143483.db2.gz QQFLYSLVLCMGRF-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000863484005 686509100 /nfs/dbraw/zinc/50/91/00/686509100.db2.gz GIXHWPWLDGGLMA-GOEBONIOSA-N 2 1 303.450 2.394 20 10 DECDMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000876780760 689935912 /nfs/dbraw/zinc/93/59/12/689935912.db2.gz ATLMGZKROMLPIY-SJLPKXTDSA-N 2 1 317.477 2.158 20 10 DECDMP Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000876811446 689944176 /nfs/dbraw/zinc/94/41/76/689944176.db2.gz KODKLBKGLWEVAS-UWWQBHOKSA-N 2 1 304.434 2.384 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]4C3)cc2)CC1 ZINC001139413540 796374086 /nfs/dbraw/zinc/37/40/86/796374086.db2.gz VYEXGHIHTQQAKH-PKOBYXMFSA-N 2 1 315.461 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CO)cc2)CC1 ZINC001140299628 796503382 /nfs/dbraw/zinc/50/33/82/796503382.db2.gz CJFPTWZGQJOVRR-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C)C3)cc2)CC1 ZINC001140301948 796504024 /nfs/dbraw/zinc/50/40/24/796504024.db2.gz FFVTYPCWFSVXPZ-INIZCTEOSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C)C3)cc2)CC1 ZINC001140301948 796504028 /nfs/dbraw/zinc/50/40/28/796504028.db2.gz FFVTYPCWFSVXPZ-INIZCTEOSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)CC[C@H]3C)cc2)CC1 ZINC001140301974 796504036 /nfs/dbraw/zinc/50/40/36/796504036.db2.gz GBIKNTRXTORLNB-VQIMIIECSA-N 2 1 317.477 2.174 20 10 DECDMP COC1CC[NH+](C2CC[NH+](Cc3ccc(O)cc3O)CC2)CC1 ZINC001204278177 800198991 /nfs/dbraw/zinc/19/89/91/800198991.db2.gz WPPURGVLFASNJV-UHFFFAOYSA-N 2 1 320.433 2.173 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1OC ZINC001206327876 800510124 /nfs/dbraw/zinc/51/01/24/800510124.db2.gz ZIUBCFXDHHUXEJ-QGZVFWFLSA-N 2 1 308.422 2.360 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC001231869814 801742581 /nfs/dbraw/zinc/74/25/81/801742581.db2.gz ZPZCFBJKYIFPHT-UHFFFAOYSA-N 2 1 311.857 2.033 20 10 DECDMP Oc1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001580888195 1076015675 /nfs/dbraw/zinc/01/56/75/1076015675.db2.gz HNRGKPXNMSSQHN-UHFFFAOYSA-N 2 1 314.788 2.139 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001276194065 1091677391 /nfs/dbraw/zinc/67/73/91/1091677391.db2.gz NOWBKKOBNOGBID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001276194065 1091677396 /nfs/dbraw/zinc/67/73/96/1091677396.db2.gz NOWBKKOBNOGBID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC001276194065 1091677398 /nfs/dbraw/zinc/67/73/98/1091677398.db2.gz NOWBKKOBNOGBID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC001276194065 1091677403 /nfs/dbraw/zinc/67/74/03/1091677403.db2.gz NOWBKKOBNOGBID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237683170 1138755389 /nfs/dbraw/zinc/75/53/89/1138755389.db2.gz FQFDAXVCYZHBLS-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237683170 1138755396 /nfs/dbraw/zinc/75/53/96/1138755396.db2.gz FQFDAXVCYZHBLS-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237683170 1138755415 /nfs/dbraw/zinc/75/54/15/1138755415.db2.gz FQFDAXVCYZHBLS-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237683170 1138755426 /nfs/dbraw/zinc/75/54/26/1138755426.db2.gz FQFDAXVCYZHBLS-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCSC3)cc2F)CC1 ZINC001339604449 1143062829 /nfs/dbraw/zinc/06/28/29/1143062829.db2.gz NPMKVPUNMQEJCA-AWEZNQCLSA-N 2 1 309.454 2.173 20 10 DECDMP COc1ccc(N2CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254516450 1143172885 /nfs/dbraw/zinc/17/28/85/1143172885.db2.gz MLVGTWAMFWRCKE-INIZCTEOSA-N 2 1 303.450 2.302 20 10 DECDMP COc1ccc(N2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254516450 1143172889 /nfs/dbraw/zinc/17/28/89/1143172889.db2.gz MLVGTWAMFWRCKE-INIZCTEOSA-N 2 1 303.450 2.302 20 10 DECDMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1O ZINC001308708343 1147483399 /nfs/dbraw/zinc/48/33/99/1147483399.db2.gz BTTDNPVBGRARGX-CYBMUJFWSA-N 2 1 311.857 2.161 20 10 DECDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000113340811 401776858 /nfs/dbraw/zinc/77/68/58/401776858.db2.gz BJOXSHWUCVRBCE-CYBMUJFWSA-N 2 1 312.841 2.372 20 10 DECDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445059 402697949 /nfs/dbraw/zinc/69/79/49/402697949.db2.gz IDVCLTPNZQIVSD-ZDUSSCGKSA-N 2 1 306.406 2.285 20 10 DECDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445059 402697952 /nfs/dbraw/zinc/69/79/52/402697952.db2.gz IDVCLTPNZQIVSD-ZDUSSCGKSA-N 2 1 306.406 2.285 20 10 DECDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445059 402697955 /nfs/dbraw/zinc/69/79/55/402697955.db2.gz IDVCLTPNZQIVSD-ZDUSSCGKSA-N 2 1 306.406 2.285 20 10 DECDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445059 402697957 /nfs/dbraw/zinc/69/79/57/402697957.db2.gz IDVCLTPNZQIVSD-ZDUSSCGKSA-N 2 1 306.406 2.285 20 10 DECDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000366535212 404809648 /nfs/dbraw/zinc/80/96/48/404809648.db2.gz NJPVSUFZDGQRQA-IBGZPJMESA-N 2 1 315.461 2.051 20 10 DECDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000366535212 404809653 /nfs/dbraw/zinc/80/96/53/404809653.db2.gz NJPVSUFZDGQRQA-IBGZPJMESA-N 2 1 315.461 2.051 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000185414390 333208678 /nfs/dbraw/zinc/20/86/78/333208678.db2.gz ZPLXWPRTMZEBRJ-UKRRQHHQSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000185414390 333208679 /nfs/dbraw/zinc/20/86/79/333208679.db2.gz ZPLXWPRTMZEBRJ-UKRRQHHQSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000185414390 333208680 /nfs/dbraw/zinc/20/86/80/333208680.db2.gz ZPLXWPRTMZEBRJ-UKRRQHHQSA-N 2 1 310.413 2.419 20 10 DECDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296017645 535693246 /nfs/dbraw/zinc/69/32/46/535693246.db2.gz PFHOKLHRILEILE-KRWDZBQOSA-N 2 1 317.477 2.387 20 10 DECDMP c1cc2c(cc1C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000922260883 636047741 /nfs/dbraw/zinc/04/77/41/636047741.db2.gz NYHIPCKCWJUKJT-GOSISDBHSA-N 2 1 316.445 2.355 20 10 DECDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(O)c1OC ZINC000894456818 637047865 /nfs/dbraw/zinc/04/78/65/637047865.db2.gz RGWDABMEMDOPLY-CYBMUJFWSA-N 2 1 308.422 2.229 20 10 DECDMP COc1cc(C)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000895332867 637936642 /nfs/dbraw/zinc/93/66/42/637936642.db2.gz QHVRCZHSMQLYMY-MRXNPFEDSA-N 2 1 320.433 2.052 20 10 DECDMP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841743040 650555746 /nfs/dbraw/zinc/55/57/46/650555746.db2.gz BVJMCWGKKRIBOM-CYBMUJFWSA-N 2 1 311.857 2.334 20 10 DECDMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000841046005 641480583 /nfs/dbraw/zinc/48/05/83/641480583.db2.gz UFXHLQHKDLYDOH-WBAXXEDZSA-N 2 1 304.482 2.072 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000902519329 643063752 /nfs/dbraw/zinc/06/37/52/643063752.db2.gz ZEKHHOUIAMJKOD-QRQLOZEOSA-N 2 1 318.509 2.462 20 10 DECDMP CO[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C ZINC000784668603 643162325 /nfs/dbraw/zinc/16/23/25/643162325.db2.gz RRGCFDNTWREPOW-APWZRJJASA-N 2 1 317.477 2.295 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903442451 643354161 /nfs/dbraw/zinc/35/41/61/643354161.db2.gz QZYKQUHKAWOYSC-CVEARBPZSA-N 2 1 303.450 2.063 20 10 DECDMP CC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789568586 643749365 /nfs/dbraw/zinc/74/93/65/643749365.db2.gz YCZOONXJYWOZFI-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843124860 650901089 /nfs/dbraw/zinc/90/10/89/650901089.db2.gz JSHSURZHVRKGHW-KRWDZBQOSA-N 2 1 317.477 2.248 20 10 DECDMP Cc1cc(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000809743505 646273394 /nfs/dbraw/zinc/27/33/94/646273394.db2.gz STKCHSSIEBKINI-UHFFFAOYSA-N 2 1 305.466 2.078 20 10 DECDMP COc1c([O-])c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865064 647368698 /nfs/dbraw/zinc/36/86/98/647368698.db2.gz NWEWEIXIIKHAIE-GVXVVHGQSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865064 647368699 /nfs/dbraw/zinc/36/86/99/647368699.db2.gz NWEWEIXIIKHAIE-GVXVVHGQSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865064 647368700 /nfs/dbraw/zinc/36/87/00/647368700.db2.gz NWEWEIXIIKHAIE-GVXVVHGQSA-N 2 1 323.393 2.114 20 10 DECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000817865996 647369429 /nfs/dbraw/zinc/36/94/29/647369429.db2.gz ROMNJZAFYHBNHM-RYRKJORJSA-N 2 1 317.477 2.328 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000827699052 649071333 /nfs/dbraw/zinc/07/13/33/649071333.db2.gz DJVJYNHSSQLDNS-QGZVFWFLSA-N 2 1 304.434 2.040 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000827699052 649071334 /nfs/dbraw/zinc/07/13/34/649071334.db2.gz DJVJYNHSSQLDNS-QGZVFWFLSA-N 2 1 304.434 2.040 20 10 DECDMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC000850397425 651920597 /nfs/dbraw/zinc/92/05/97/651920597.db2.gz XNZBPCUMFDYBAL-INIZCTEOSA-N 2 1 320.433 2.134 20 10 DECDMP CN(CCC[NH2+]Cc1c(O)ccc(Cl)c1F)CC[NH+](C)C ZINC000857784337 652176551 /nfs/dbraw/zinc/17/65/51/652176551.db2.gz WZUAWNKPUOYJBH-UHFFFAOYSA-N 2 1 317.836 2.158 20 10 DECDMP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1O ZINC000873293626 689203914 /nfs/dbraw/zinc/20/39/14/689203914.db2.gz OFMKLBCBEORRNM-JSGCOSHPSA-N 2 1 308.397 2.341 20 10 DECDMP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1O ZINC000873293625 689203949 /nfs/dbraw/zinc/20/39/49/689203949.db2.gz OFMKLBCBEORRNM-GXTWGEPZSA-N 2 1 308.397 2.341 20 10 DECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876944081 689978791 /nfs/dbraw/zinc/97/87/91/689978791.db2.gz XTPBTDCXHRYTNJ-KRWDZBQOSA-N 2 1 317.477 2.079 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000925702193 693326903 /nfs/dbraw/zinc/32/69/03/693326903.db2.gz AKGQNYXXQQBQOS-IIDMSEBBSA-N 2 1 303.450 2.252 20 10 DECDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cc(F)ccc1O ZINC000925845779 693351960 /nfs/dbraw/zinc/35/19/60/693351960.db2.gz QYNMUYIMUOFALT-AWEZNQCLSA-N 2 1 309.429 2.257 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2F)CC1 ZINC001343158903 1150698762 /nfs/dbraw/zinc/69/87/62/1150698762.db2.gz AJUKMNBJKZOFDD-MRXNPFEDSA-N 2 1 319.424 2.360 20 10 DECDMP CC[C@@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1 ZINC001116763835 794985100 /nfs/dbraw/zinc/98/51/00/794985100.db2.gz OJQGSSKISVHBIU-GOSISDBHSA-N 2 1 321.440 2.236 20 10 DECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCOC1 ZINC001116910504 794999188 /nfs/dbraw/zinc/99/91/88/794999188.db2.gz CYSSNCUEOHNNTF-GOEBONIOSA-N 2 1 321.440 2.092 20 10 DECDMP COCC[NH2+]C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001118235468 795168758 /nfs/dbraw/zinc/16/87/58/795168758.db2.gz PMNJPXGSDAQHPK-UHFFFAOYSA-N 2 1 317.477 2.487 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@]1(C)O ZINC001139409276 796373036 /nfs/dbraw/zinc/37/30/36/796373036.db2.gz YWJFQIINJFCISI-QFBILLFUSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](OC)C3)cc2)CC1 ZINC001140302403 796503899 /nfs/dbraw/zinc/50/38/99/796503899.db2.gz RBWZFXUXBMZYSK-SFHVURJKSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3ccno3)cc2)CC1 ZINC001140309351 796504694 /nfs/dbraw/zinc/50/46/94/796504694.db2.gz CBAYXJOOTFWXTL-UHFFFAOYSA-N 2 1 314.433 2.449 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205240708 800327258 /nfs/dbraw/zinc/32/72/58/800327258.db2.gz NPHZAXYFVAIRLP-SFHVURJKSA-N 2 1 306.450 2.365 20 10 DECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001205688446 800402124 /nfs/dbraw/zinc/40/21/24/800402124.db2.gz HVFFIVGXYYSDIL-GOSISDBHSA-N 2 1 300.402 2.221 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)ccc21 ZINC001206556907 800554377 /nfs/dbraw/zinc/55/43/77/800554377.db2.gz ZSCURVVDLRMXFN-GOSISDBHSA-N 2 1 303.450 2.466 20 10 DECDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206624267 800567103 /nfs/dbraw/zinc/56/71/03/800567103.db2.gz SOWWQJHXIJBYDQ-HNNXBMFYSA-N 2 1 321.440 2.223 20 10 DECDMP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206623885 800567174 /nfs/dbraw/zinc/56/71/74/800567174.db2.gz QJSNQTWURAHZRA-AWEZNQCLSA-N 3 1 321.465 2.023 20 10 DECDMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206623885 800567179 /nfs/dbraw/zinc/56/71/79/800567179.db2.gz QJSNQTWURAHZRA-AWEZNQCLSA-N 3 1 321.465 2.023 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001234970706 1084252361 /nfs/dbraw/zinc/25/23/61/1084252361.db2.gz KGBAKJRMFLIYOO-RHSMWYFYSA-N 2 1 304.434 2.110 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001234970706 1084252371 /nfs/dbraw/zinc/25/23/71/1084252371.db2.gz KGBAKJRMFLIYOO-RHSMWYFYSA-N 2 1 304.434 2.110 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)cc1 ZINC001236072766 1084605233 /nfs/dbraw/zinc/60/52/33/1084605233.db2.gz JNUQHWRTNPKBPQ-IBGZPJMESA-N 2 1 316.493 2.140 20 10 DECDMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)C1 ZINC001276829800 1138329274 /nfs/dbraw/zinc/32/92/74/1138329274.db2.gz AXMWSRUUPFCCTM-UHFFFAOYSA-N 2 1 306.406 2.111 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCCOC1 ZINC001236947302 1138464023 /nfs/dbraw/zinc/46/40/23/1138464023.db2.gz QDJYZBRYIJKWAC-QGZVFWFLSA-N 2 1 321.440 2.188 20 10 DECDMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237675671 1138749086 /nfs/dbraw/zinc/74/90/86/1138749086.db2.gz DUEVFATZQJUVKI-UHFFFAOYSA-N 2 1 308.422 2.327 20 10 DECDMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237675671 1138749089 /nfs/dbraw/zinc/74/90/89/1138749089.db2.gz DUEVFATZQJUVKI-UHFFFAOYSA-N 2 1 308.422 2.327 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCOC1 ZINC001319828561 1140747959 /nfs/dbraw/zinc/74/79/59/1140747959.db2.gz JVWLTFKGJNKISU-MRXNPFEDSA-N 2 1 321.440 2.046 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCOC1 ZINC001319828561 1140748004 /nfs/dbraw/zinc/74/80/04/1140748004.db2.gz JVWLTFKGJNKISU-MRXNPFEDSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320968395 1141011880 /nfs/dbraw/zinc/01/18/80/1141011880.db2.gz ZDXDKQYHSXOIBD-KSSFIOAISA-N 2 1 321.440 2.235 20 10 DECDMP Cn1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001339892859 1143164990 /nfs/dbraw/zinc/16/49/90/1143164990.db2.gz QORKUEODFYJJIL-UHFFFAOYSA-N 2 1 316.424 2.206 20 10 DECDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303915 130104671 /nfs/dbraw/zinc/10/46/71/130104671.db2.gz CGPJAMAWEINYSQ-QWHCGFSZSA-N 2 1 306.406 2.171 20 10 DECDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1O ZINC000185415067 402351073 /nfs/dbraw/zinc/35/10/73/402351073.db2.gz ICLOUKXZQBXZCZ-DZGCQCFKSA-N 2 1 310.413 2.419 20 10 DECDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268801022 403115030 /nfs/dbraw/zinc/11/50/30/403115030.db2.gz BABMFRJQPZFCCN-QAPCUYQASA-N 2 1 305.466 2.250 20 10 DECDMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367754800 524404532 /nfs/dbraw/zinc/40/45/32/524404532.db2.gz RDPXHSRCJRBROG-IXDOHACOSA-N 2 1 304.434 2.384 20 10 DECDMP C[C@@H]1COCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001355290650 1152000365 /nfs/dbraw/zinc/00/03/65/1152000365.db2.gz XBWGIDJYQWWKEH-HNNXBMFYSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@@H]1COCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001355290650 1152000369 /nfs/dbraw/zinc/00/03/69/1152000369.db2.gz XBWGIDJYQWWKEH-HNNXBMFYSA-N 2 1 321.440 2.046 20 10 DECDMP CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895928978 638270771 /nfs/dbraw/zinc/27/07/71/638270771.db2.gz WREKOUOBBVWKOV-VQIMIIECSA-N 2 1 317.477 2.438 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+][C@H]3C)CC2)cc1 ZINC000841063136 650418586 /nfs/dbraw/zinc/41/85/86/650418586.db2.gz ILTPUYXBORIGQY-KBXCAEBGSA-N 2 1 303.450 2.394 20 10 DECDMP Cc1ccc(O)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000841086697 650426762 /nfs/dbraw/zinc/42/67/62/650426762.db2.gz DGZMUHFFSVIMHL-UHFFFAOYSA-N 2 1 303.450 2.007 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC4(CCC4)C3)cc2)CC1 ZINC000775716777 642084346 /nfs/dbraw/zinc/08/43/46/642084346.db2.gz GDBOQKQSYLQQBY-UHFFFAOYSA-N 2 1 315.461 2.193 20 10 DECDMP COCC1=CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775994796 642120421 /nfs/dbraw/zinc/12/04/21/642120421.db2.gz LLRYDEVEWWXDOY-UHFFFAOYSA-N 2 1 315.461 2.217 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903733392 643447203 /nfs/dbraw/zinc/44/72/03/643447203.db2.gz MONPXKXAOXFTPL-INIZCTEOSA-N 2 1 303.450 2.207 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000903959876 643520391 /nfs/dbraw/zinc/52/03/91/643520391.db2.gz QOJAVKNZDLACSP-KRWDZBQOSA-N 2 1 304.390 2.087 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904376400 643654131 /nfs/dbraw/zinc/65/41/31/643654131.db2.gz RCAAWYWIWCVYCD-GOSISDBHSA-N 2 1 305.466 2.453 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000843044726 650875851 /nfs/dbraw/zinc/87/58/51/650875851.db2.gz GJNBIQWHYDLHJU-HIFRSBDPSA-N 2 1 320.433 2.373 20 10 DECDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843113062 650897500 /nfs/dbraw/zinc/89/75/00/650897500.db2.gz MJUBECNHDFWKTJ-OAHLLOKOSA-N 2 1 321.440 2.223 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1F ZINC000841085450 644834553 /nfs/dbraw/zinc/83/45/53/644834553.db2.gz CPUXWTGOYDAUKZ-OAHLLOKOSA-N 2 1 309.429 2.140 20 10 DECDMP CCOc1ccc(O)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000843432220 650974546 /nfs/dbraw/zinc/97/45/46/650974546.db2.gz SEALSPWWOMTMOQ-UHFFFAOYSA-N 2 1 320.433 2.088 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC000846113323 651308711 /nfs/dbraw/zinc/30/87/11/651308711.db2.gz XATUZDQKDAUUKI-IYBDPMFKSA-N 2 1 307.388 2.135 20 10 DECDMP COc1cccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000846167893 651312529 /nfs/dbraw/zinc/31/25/29/651312529.db2.gz NRGCKVQPUJHZOI-AWEZNQCLSA-N 2 1 321.465 2.077 20 10 DECDMP CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000849350778 651655836 /nfs/dbraw/zinc/65/58/36/651655836.db2.gz VZGJSRDRZUZZEY-FQEVSTJZSA-N 2 1 324.472 2.188 20 10 DECDMP COc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646534 686539385 /nfs/dbraw/zinc/53/93/85/686539385.db2.gz LZGBDOHJURQUDS-PWSUYJOCSA-N 2 1 318.339 2.360 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646534 686539389 /nfs/dbraw/zinc/53/93/89/686539389.db2.gz LZGBDOHJURQUDS-PWSUYJOCSA-N 2 1 318.339 2.360 20 10 DECDMP Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000876811447 689944142 /nfs/dbraw/zinc/94/41/42/689944142.db2.gz KODKLBKGLWEVAS-YXJHDRRASA-N 2 1 304.434 2.384 20 10 DECDMP CCN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000878865035 690516569 /nfs/dbraw/zinc/51/65/69/690516569.db2.gz DFKTVIGDJNLBJQ-SFHVURJKSA-N 2 1 305.466 2.031 20 10 DECDMP CCN(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000878865035 690516571 /nfs/dbraw/zinc/51/65/71/690516571.db2.gz DFKTVIGDJNLBJQ-SFHVURJKSA-N 2 1 305.466 2.031 20 10 DECDMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886595063 692123556 /nfs/dbraw/zinc/12/35/56/692123556.db2.gz ZVXWCICMPBUSMH-ZIAGYGMSSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cc(F)ccc1O ZINC000925845781 693352007 /nfs/dbraw/zinc/35/20/07/693352007.db2.gz QYNMUYIMUOFALT-CQSZACIVSA-N 2 1 309.429 2.257 20 10 DECDMP C[C@H]1COCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001355290651 1152000645 /nfs/dbraw/zinc/00/06/45/1152000645.db2.gz XBWGIDJYQWWKEH-OAHLLOKOSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@H]1COCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001355290651 1152000647 /nfs/dbraw/zinc/00/06/47/1152000647.db2.gz XBWGIDJYQWWKEH-OAHLLOKOSA-N 2 1 321.440 2.046 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC001206556477 795799901 /nfs/dbraw/zinc/79/99/01/795799901.db2.gz SODWWHJYYFHNDF-QGZVFWFLSA-N 2 1 308.422 2.360 20 10 DECDMP Cc1c(C[N@@H+](C)CCN2CC[NH+](C)CC2)c2ccccc2n1C ZINC001138258139 796188536 /nfs/dbraw/zinc/18/85/36/796188536.db2.gz MYBXRNXMJVJWBV-UHFFFAOYSA-N 2 1 314.477 2.166 20 10 DECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c(C)ccc(C)c1O ZINC001140180586 796487731 /nfs/dbraw/zinc/48/77/31/796487731.db2.gz ZFOLYIQBAOQOJE-UHFFFAOYSA-N 2 1 322.449 2.326 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2)CC1 ZINC001205109727 800297796 /nfs/dbraw/zinc/29/77/96/800297796.db2.gz KIEHHQVNCALXNX-GOSISDBHSA-N 3 1 316.493 2.142 20 10 DECDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828626 800428413 /nfs/dbraw/zinc/42/84/13/800428413.db2.gz MAEHRHHUNBXREZ-YJBOKZPZSA-N 2 1 317.477 2.207 20 10 DECDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828626 800428417 /nfs/dbraw/zinc/42/84/17/800428417.db2.gz MAEHRHHUNBXREZ-YJBOKZPZSA-N 2 1 317.477 2.207 20 10 DECDMP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206623886 800567475 /nfs/dbraw/zinc/56/74/75/800567475.db2.gz QJSNQTWURAHZRA-CQSZACIVSA-N 3 1 321.465 2.023 20 10 DECDMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206623886 800567478 /nfs/dbraw/zinc/56/74/78/800567478.db2.gz QJSNQTWURAHZRA-CQSZACIVSA-N 3 1 321.465 2.023 20 10 DECDMP CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461234247 1058617694 /nfs/dbraw/zinc/61/76/94/1058617694.db2.gz VIASUGQJLWZYBL-MRXNPFEDSA-N 2 1 323.456 2.074 20 10 DECDMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1Cn1cccn1 ZINC001579216107 1067261159 /nfs/dbraw/zinc/26/11/59/1067261159.db2.gz CJLKBKCTHPVJBI-QGZVFWFLSA-N 2 1 316.449 2.403 20 10 DECDMP COCCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001656258002 1080073685 /nfs/dbraw/zinc/07/36/85/1080073685.db2.gz DPJIZBQSLDHFGX-UHFFFAOYSA-N 2 1 323.456 2.484 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205248952 1084141401 /nfs/dbraw/zinc/14/14/01/1084141401.db2.gz UOEBPBIKRDVRAB-CQSZACIVSA-N 2 1 319.232 2.375 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205248952 1084141408 /nfs/dbraw/zinc/14/14/08/1084141408.db2.gz UOEBPBIKRDVRAB-CQSZACIVSA-N 2 1 319.232 2.375 20 10 DECDMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976896 1084578592 /nfs/dbraw/zinc/57/85/92/1084578592.db2.gz DKZAYNCQNLKMJK-HNAYVOBHSA-N 2 1 313.445 2.014 20 10 DECDMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976896 1084578599 /nfs/dbraw/zinc/57/85/99/1084578599.db2.gz DKZAYNCQNLKMJK-HNAYVOBHSA-N 2 1 313.445 2.014 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237390522 1138604974 /nfs/dbraw/zinc/60/49/74/1138604974.db2.gz IXCRLEMILJXEPW-PKOBYXMFSA-N 2 1 315.461 2.097 20 10 DECDMP Cc1cccc(O)c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001237487784 1138654766 /nfs/dbraw/zinc/65/47/66/1138654766.db2.gz DEZXURQSDSMPQM-UHFFFAOYSA-N 2 1 303.406 2.331 20 10 DECDMP COC(C)(C)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319841521 1140758584 /nfs/dbraw/zinc/75/85/84/1140758584.db2.gz JHXQXCIOUQNETP-UHFFFAOYSA-N 2 1 323.456 2.434 20 10 DECDMP COC(C)(C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319841521 1140758590 /nfs/dbraw/zinc/75/85/90/1140758590.db2.gz JHXQXCIOUQNETP-UHFFFAOYSA-N 2 1 323.456 2.434 20 10 DECDMP CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320975728 1141015146 /nfs/dbraw/zinc/01/51/46/1141015146.db2.gz RQTFWQJCUQEWEL-JKSUJKDBSA-N 2 1 321.440 2.235 20 10 DECDMP CO[C@H](C)C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323782038 1141886469 /nfs/dbraw/zinc/88/64/69/1141886469.db2.gz SELZLDJMRRYWAP-CQSZACIVSA-N 2 1 309.429 2.044 20 10 DECDMP CO[C@H](C)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323782038 1141886470 /nfs/dbraw/zinc/88/64/70/1141886470.db2.gz SELZLDJMRRYWAP-CQSZACIVSA-N 2 1 309.429 2.044 20 10 DECDMP CO[C@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323782038 1141886471 /nfs/dbraw/zinc/88/64/71/1141886471.db2.gz SELZLDJMRRYWAP-CQSZACIVSA-N 2 1 309.429 2.044 20 10 DECDMP CCOc1cccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1O ZINC000093394923 355681330 /nfs/dbraw/zinc/68/13/30/355681330.db2.gz NMAIYJJZHGIDAT-UHFFFAOYSA-N 2 1 322.449 2.070 20 10 DECDMP CCOc1cccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1O ZINC000093394923 355681336 /nfs/dbraw/zinc/68/13/36/355681336.db2.gz NMAIYJJZHGIDAT-UHFFFAOYSA-N 2 1 322.449 2.070 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000273551179 130134880 /nfs/dbraw/zinc/13/48/80/130134880.db2.gz FZEOJMIEUUMBNJ-OBJOEFQTSA-N 2 1 318.417 2.455 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000841057650 650416743 /nfs/dbraw/zinc/41/67/43/650416743.db2.gz BUPKPDWWPBHULE-KDOFPFPSSA-N 2 1 303.450 2.252 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C[NH3+] ZINC000841100826 650431360 /nfs/dbraw/zinc/43/13/60/650431360.db2.gz KZRWEXVAVGKGER-ZBFHGGJFSA-N 2 1 321.440 2.079 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000756546406 639672146 /nfs/dbraw/zinc/67/21/46/639672146.db2.gz PPQINIWEMQKPRX-GFCCVEGCSA-N 2 1 306.406 2.171 20 10 DECDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000775725999 642085662 /nfs/dbraw/zinc/08/56/62/642085662.db2.gz NOXURYBRODPMMV-QGZVFWFLSA-N 2 1 322.449 2.334 20 10 DECDMP CC[C@]1(C)COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775980407 642119715 /nfs/dbraw/zinc/11/97/15/642119715.db2.gz GINFJIBHGTZAAW-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000776258286 642150528 /nfs/dbraw/zinc/15/05/28/642150528.db2.gz QWPCYEPRLZOGTC-UHFFFAOYSA-N 2 1 319.424 2.014 20 10 DECDMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045052 650875717 /nfs/dbraw/zinc/87/57/17/650875717.db2.gz HEYRCDBFXUDNMP-MAUKXSAKSA-N 2 1 303.450 2.225 20 10 DECDMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045052 650875718 /nfs/dbraw/zinc/87/57/18/650875718.db2.gz HEYRCDBFXUDNMP-MAUKXSAKSA-N 2 1 303.450 2.225 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000843053175 650878350 /nfs/dbraw/zinc/87/83/50/650878350.db2.gz IVWVPERRVQDGKQ-FUHWJXTLSA-N 2 1 303.450 2.082 20 10 DECDMP C[NH2+]CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000843057106 650879170 /nfs/dbraw/zinc/87/91/70/650879170.db2.gz BCWKSUIDXPFPAV-UHFFFAOYSA-N 2 1 323.393 2.131 20 10 DECDMP Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000843116723 650899094 /nfs/dbraw/zinc/89/90/94/650899094.db2.gz UDBPIQDZWROJDV-RDJZCZTQSA-N 2 1 304.434 2.373 20 10 DECDMP CC[NH+](CC)[C@H](C)CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793235262 644212702 /nfs/dbraw/zinc/21/27/02/644212702.db2.gz DWFWETSKTJPFAS-QGZVFWFLSA-N 2 1 318.509 2.258 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000793249594 644215781 /nfs/dbraw/zinc/21/57/81/644215781.db2.gz GFRIHAAJWHNUCB-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)CC3)cc2)CC1 ZINC000816666607 647165337 /nfs/dbraw/zinc/16/53/37/647165337.db2.gz RDLXXWCQFHVCGB-SFHVURJKSA-N 2 1 317.477 2.033 20 10 DECDMP CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894506 647374179 /nfs/dbraw/zinc/37/41/79/647374179.db2.gz LOHXCBXKWULVEX-MSOLQXFVSA-N 2 1 303.450 2.143 20 10 DECDMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1O ZINC000817983968 647400812 /nfs/dbraw/zinc/40/08/12/647400812.db2.gz SQFGHELNZGSACT-FHERZECASA-N 2 1 303.450 2.259 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000844901399 651180770 /nfs/dbraw/zinc/18/07/70/651180770.db2.gz FAPFRDLZEUGROB-ZVZYQTTQSA-N 2 1 304.434 2.419 20 10 DECDMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846804619 651353208 /nfs/dbraw/zinc/35/32/08/651353208.db2.gz NTAATSDWSJGPCO-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846804619 651353210 /nfs/dbraw/zinc/35/32/10/651353210.db2.gz NTAATSDWSJGPCO-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000846804619 651353211 /nfs/dbraw/zinc/35/32/11/651353211.db2.gz NTAATSDWSJGPCO-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000846804619 651353212 /nfs/dbraw/zinc/35/32/12/651353212.db2.gz NTAATSDWSJGPCO-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1O ZINC000850500305 651940293 /nfs/dbraw/zinc/94/02/93/651940293.db2.gz FSERDYPQGFNBJU-UONOGXRCSA-N 2 1 311.445 2.454 20 10 DECDMP COc1cc(O)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000862483419 686307853 /nfs/dbraw/zinc/30/78/53/686307853.db2.gz SZQQUJRLWRCYEL-ZDUSSCGKSA-N 2 1 308.422 2.231 20 10 DECDMP CCC(O)(CC)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000862538706 686317308 /nfs/dbraw/zinc/31/73/08/686317308.db2.gz DAZDZOBMOSEFJQ-UHFFFAOYSA-N 2 1 319.493 2.421 20 10 DECDMP Cc1cnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283470 691471553 /nfs/dbraw/zinc/47/15/53/691471553.db2.gz GYXPHXWIGCPGMD-UHFFFAOYSA-N 2 1 316.474 2.493 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](CO)CC2)cc(C[NH+](C)C)c1O ZINC001139256111 796349967 /nfs/dbraw/zinc/34/99/67/796349967.db2.gz UEWBQLBPKSIQKM-AWEZNQCLSA-N 2 1 322.449 2.057 20 10 DECDMP COc1cc(C[N@H+]2CCCC3(COC3)C2)cc(C[NH+](C)C)c1O ZINC001139256139 796350395 /nfs/dbraw/zinc/35/03/95/796350395.db2.gz UXWMHODXXYSOBZ-UHFFFAOYSA-N 2 1 320.433 2.075 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc2)CC1 ZINC001139408388 796373080 /nfs/dbraw/zinc/37/30/80/796373080.db2.gz LEAQATPSSMOCJN-SZMVWBNQSA-N 2 1 303.425 2.228 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)[C@@H](C)C3)cc2)CC1 ZINC001140302667 796503152 /nfs/dbraw/zinc/50/31/52/796503152.db2.gz XCOFCUWOEAYMJR-INIZCTEOSA-N 2 1 315.461 2.239 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)[C@@H](C)C3)cc2)CC1 ZINC001140302667 796503154 /nfs/dbraw/zinc/50/31/54/796503154.db2.gz XCOFCUWOEAYMJR-INIZCTEOSA-N 2 1 315.461 2.239 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(CO)C3)cc2)CC1 ZINC001140302389 796503298 /nfs/dbraw/zinc/50/32/98/796503298.db2.gz QNIRDMRKOGEZDI-LJQANCHMSA-N 2 1 317.477 2.033 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](OC)C3)cc2)CC1 ZINC001140300937 796503519 /nfs/dbraw/zinc/50/35/19/796503519.db2.gz WJSZAMLHYFVZSP-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](O)C3)cc2)CC1 ZINC001140302716 796504005 /nfs/dbraw/zinc/50/40/05/796504005.db2.gz YMKAZTCKHBCAJD-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001141028977 796619967 /nfs/dbraw/zinc/61/99/67/796619967.db2.gz GCEJITOZVFKCMI-UHFFFAOYSA-N 2 1 320.433 2.327 20 10 DECDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160217 796642792 /nfs/dbraw/zinc/64/27/92/796642792.db2.gz UGVPUEIHBUCTKQ-INIZCTEOSA-N 2 1 320.433 2.173 20 10 DECDMP Cc1cccc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c1O ZINC001160769615 798738250 /nfs/dbraw/zinc/73/82/50/798738250.db2.gz JKTNKRNNDCSSML-UHFFFAOYSA-N 2 1 313.405 2.030 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc2)CC1 ZINC001205273688 800334568 /nfs/dbraw/zinc/33/45/68/800334568.db2.gz OPRFWPQUCTWZQR-IBGZPJMESA-N 3 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])CC3)cc2)CC1 ZINC001205273688 800334571 /nfs/dbraw/zinc/33/45/71/800334571.db2.gz OPRFWPQUCTWZQR-IBGZPJMESA-N 2 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc2)CC1 ZINC001205273688 800334578 /nfs/dbraw/zinc/33/45/78/800334578.db2.gz OPRFWPQUCTWZQR-IBGZPJMESA-N 2 1 316.493 2.142 20 10 DECDMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218458608 802186298 /nfs/dbraw/zinc/18/62/98/802186298.db2.gz ILINHQXQWSRLIK-MNZLEMJZSA-N 2 1 315.461 2.205 20 10 DECDMP CCC[C@@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001335166757 1150380960 /nfs/dbraw/zinc/38/09/60/1150380960.db2.gz ISAKCXMEWNWDQY-MRXNPFEDSA-N 2 1 323.456 2.218 20 10 DECDMP Oc1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001234986670 1084260524 /nfs/dbraw/zinc/26/05/24/1084260524.db2.gz BPNLWGYGSNQGJX-FQEVSTJZSA-N 2 1 323.440 2.197 20 10 DECDMP CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318740745 1140396966 /nfs/dbraw/zinc/39/69/66/1140396966.db2.gz VKDQZZZIOAMCQG-SFHVURJKSA-N 2 1 323.456 2.074 20 10 DECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001319717111 1140684768 /nfs/dbraw/zinc/68/47/68/1140684768.db2.gz UQQXERJCQDSCRY-OAHLLOKOSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001319717111 1140684781 /nfs/dbraw/zinc/68/47/81/1140684781.db2.gz UQQXERJCQDSCRY-OAHLLOKOSA-N 2 1 321.440 2.188 20 10 DECDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499704 1143141402 /nfs/dbraw/zinc/14/14/02/1143141402.db2.gz NYDPKXAELPDFBQ-QGZVFWFLSA-N 2 1 303.450 2.097 20 10 DECDMP C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624971 529980199 /nfs/dbraw/zinc/98/01/99/529980199.db2.gz JYXMYMQZHKWXBV-KRWDZBQOSA-N 2 1 321.440 2.132 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCCO3)cc2F)CC1 ZINC001353570802 1151839609 /nfs/dbraw/zinc/83/96/09/1151839609.db2.gz IRUSEIHPRYJFJH-MRXNPFEDSA-N 2 1 321.440 2.236 20 10 DECDMP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1O ZINC000184983117 402314750 /nfs/dbraw/zinc/31/47/50/402314750.db2.gz SWNOIDPQQJXQLO-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277457082 403219600 /nfs/dbraw/zinc/21/96/00/403219600.db2.gz LDZBCNXWODHMEP-CQSZACIVSA-N 2 1 308.422 2.326 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277457082 403219602 /nfs/dbraw/zinc/21/96/02/403219602.db2.gz LDZBCNXWODHMEP-CQSZACIVSA-N 2 1 308.422 2.326 20 10 DECDMP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1O ZINC000185366812 333207700 /nfs/dbraw/zinc/20/77/00/333207700.db2.gz LVLCIVBALZTVFJ-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1O ZINC000185366812 333207702 /nfs/dbraw/zinc/20/77/02/333207702.db2.gz LVLCIVBALZTVFJ-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840979486 650398696 /nfs/dbraw/zinc/39/86/96/650398696.db2.gz SGQPXAJSPDXFEJ-FUHWJXTLSA-N 2 1 317.477 2.031 20 10 DECDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000841099348 650430774 /nfs/dbraw/zinc/43/07/74/650430774.db2.gz ILBVHYHWNCLJPP-RDJZCZTQSA-N 2 1 308.397 2.250 20 10 DECDMP CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775656199 642074271 /nfs/dbraw/zinc/07/42/71/642074271.db2.gz BSTMOHXVVPZSLV-GOSISDBHSA-N 2 1 303.450 2.049 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000902519331 643063629 /nfs/dbraw/zinc/06/36/29/643063629.db2.gz ZEKHHOUIAMJKOD-UHOSZYNNSA-N 2 1 318.509 2.462 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903768658 643454745 /nfs/dbraw/zinc/45/47/45/643454745.db2.gz OLROZKPKBURCEW-MRXNPFEDSA-N 2 1 305.466 2.453 20 10 DECDMP CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918339 643506523 /nfs/dbraw/zinc/50/65/23/643506523.db2.gz XAUJFYIUMUZMIG-FQEVSTJZSA-N 2 1 324.472 2.188 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C[NH3+] ZINC000904410161 643661198 /nfs/dbraw/zinc/66/11/98/643661198.db2.gz BUFDOXCVYCCXRD-ZBFHGGJFSA-N 2 1 321.440 2.079 20 10 DECDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843113626 650898420 /nfs/dbraw/zinc/89/84/20/650898420.db2.gz ZPARFGDTAGMGEL-INIZCTEOSA-N 2 1 303.450 2.084 20 10 DECDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749184 646276425 /nfs/dbraw/zinc/27/64/25/646276425.db2.gz COBHJUYHIJZLMU-UHFFFAOYSA-N 2 1 323.456 2.436 20 10 DECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749184 646276428 /nfs/dbraw/zinc/27/64/28/646276428.db2.gz COBHJUYHIJZLMU-UHFFFAOYSA-N 2 1 323.456 2.436 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000817987587 647401697 /nfs/dbraw/zinc/40/16/97/647401697.db2.gz UMSAYHVSBPIQHG-ZGKBOVNRSA-N 2 1 318.417 2.218 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844903085 651181152 /nfs/dbraw/zinc/18/11/52/651181152.db2.gz RMSMQLQYKFREBO-JENIJYKNSA-N 2 1 317.477 2.471 20 10 DECDMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000844903463 651181170 /nfs/dbraw/zinc/18/11/70/651181170.db2.gz ZPNNODUSTNYBBS-UAGQMJEPSA-N 2 1 304.434 2.419 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000844913062 651182718 /nfs/dbraw/zinc/18/27/18/651182718.db2.gz YFPHRALUAHFWJF-LESCRADOSA-N 2 1 320.433 2.262 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848530995 651467777 /nfs/dbraw/zinc/46/77/77/651467777.db2.gz MAAVARJGDIDFFF-LJQANCHMSA-N 2 1 317.477 2.404 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848559408 651470683 /nfs/dbraw/zinc/47/06/83/651470683.db2.gz WHZHNMSODOQYPU-SGMGOOAPSA-N 2 1 306.406 2.170 20 10 DECDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000858106397 652255867 /nfs/dbraw/zinc/25/58/67/652255867.db2.gz IJMSRISZEGYCKC-KRWDZBQOSA-N 2 1 317.477 2.486 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000852762421 652452602 /nfs/dbraw/zinc/45/26/02/652452602.db2.gz NANWSZCTSIAUNS-SFHVURJKSA-N 2 1 305.466 2.295 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000852762421 652452603 /nfs/dbraw/zinc/45/26/03/652452603.db2.gz NANWSZCTSIAUNS-SFHVURJKSA-N 2 1 305.466 2.295 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925840248 693351564 /nfs/dbraw/zinc/35/15/64/693351564.db2.gz HJJCJAFWVCFQPJ-BJOOFOGMSA-N 2 1 318.417 2.362 20 10 DECDMP Nc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001356083507 1152056752 /nfs/dbraw/zinc/05/67/52/1152056752.db2.gz QIBXRUZYZCLOGC-UHFFFAOYSA-N 2 1 311.429 2.391 20 10 DECDMP CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000913360864 781731596 /nfs/dbraw/zinc/73/15/96/781731596.db2.gz GHHAJBMLOQPGHP-LJQANCHMSA-N 2 1 319.493 2.421 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000913360864 781731603 /nfs/dbraw/zinc/73/16/03/781731603.db2.gz GHHAJBMLOQPGHP-LJQANCHMSA-N 2 1 319.493 2.421 20 10 DECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CO ZINC001139409028 796372105 /nfs/dbraw/zinc/37/21/05/796372105.db2.gz SHQWFVVMRUBPLV-QFBILLFUSA-N 2 1 317.477 2.031 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ncccc4C3)cc2)CC1 ZINC001139409773 796372600 /nfs/dbraw/zinc/37/26/00/796372600.db2.gz RYNJKYJZLGLETF-UHFFFAOYSA-N 2 1 322.456 2.392 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC001139411311 796373011 /nfs/dbraw/zinc/37/30/11/796373011.db2.gz FSDQEUCAVYESRV-SFHVURJKSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)cc2)CC1 ZINC001140305667 796503216 /nfs/dbraw/zinc/50/32/16/796503216.db2.gz FFTVZMZORUORIH-LDLYASANSA-N 2 1 317.452 2.476 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](OC)C3)cc2)CC1 ZINC001140300936 796503502 /nfs/dbraw/zinc/50/35/02/796503502.db2.gz WJSZAMLHYFVZSP-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)cc2)CC1 ZINC001140309406 796505302 /nfs/dbraw/zinc/50/53/02/796505302.db2.gz FLBGDPPFZCJOAI-RTBURBONSA-N 2 1 315.461 2.192 20 10 DECDMP Cc1ccc(O)c(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001140624514 796547851 /nfs/dbraw/zinc/54/78/51/796547851.db2.gz ZLJPWUYUDKSOKN-UHFFFAOYSA-N 2 1 317.477 2.160 20 10 DECDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556220 800077895 /nfs/dbraw/zinc/07/78/95/800077895.db2.gz OQFOBDZVHKINAR-QGZVFWFLSA-N 2 1 304.434 2.467 20 10 DECDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556220 800077904 /nfs/dbraw/zinc/07/79/04/800077904.db2.gz OQFOBDZVHKINAR-QGZVFWFLSA-N 2 1 304.434 2.467 20 10 DECDMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)cc1Br ZINC001205156238 800307359 /nfs/dbraw/zinc/30/73/59/800307359.db2.gz UWXCTPYMALPHQK-CMPLNLGQSA-N 2 1 313.239 2.490 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC001206027257 800460723 /nfs/dbraw/zinc/46/07/23/800460723.db2.gz VJPINNZJGOVOAG-STQMWFEESA-N 2 1 308.422 2.216 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccnc3)cc2F)CC1 ZINC001473913950 1060770754 /nfs/dbraw/zinc/77/07/54/1060770754.db2.gz QYWZSRIQCXHHSK-UHFFFAOYSA-N 2 1 314.408 2.262 20 10 DECDMP CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235999162 1084587612 /nfs/dbraw/zinc/58/76/12/1084587612.db2.gz XNYUKDVMHHMMOZ-MZBDJJRSSA-N 2 1 304.434 2.095 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c1O ZINC001236080378 1084608481 /nfs/dbraw/zinc/60/84/81/1084608481.db2.gz WGALKQVCOGZRLW-MRXNPFEDSA-N 2 1 317.477 2.297 20 10 DECDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1O ZINC001275277329 1091650583 /nfs/dbraw/zinc/65/05/83/1091650583.db2.gz YFQBKEPPLLPVJN-IYBDPMFKSA-N 2 1 323.868 2.256 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc21 ZINC001237401490 1138609991 /nfs/dbraw/zinc/60/99/91/1138609991.db2.gz DBKPOESHBFZODI-JKSUJKDBSA-N 2 1 301.434 2.089 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc21 ZINC001237401490 1138610001 /nfs/dbraw/zinc/61/00/01/1138610001.db2.gz DBKPOESHBFZODI-JKSUJKDBSA-N 2 1 301.434 2.089 20 10 DECDMP CC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001323936394 1141906925 /nfs/dbraw/zinc/90/69/25/1141906925.db2.gz RVTRXRVYATVCED-HNNXBMFYSA-N 2 1 309.429 2.092 20 10 DECDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001336703182 1142538677 /nfs/dbraw/zinc/53/86/77/1142538677.db2.gz IGSQECQWIQOWRW-LJQANCHMSA-N 2 1 317.477 2.222 20 10 DECDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001336703182 1142538692 /nfs/dbraw/zinc/53/86/92/1142538692.db2.gz IGSQECQWIQOWRW-LJQANCHMSA-N 2 1 317.477 2.222 20 10 DECDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253213148 1142855185 /nfs/dbraw/zinc/85/51/85/1142855185.db2.gz LPVASSBOUQWDIX-QGZVFWFLSA-N 2 1 302.418 2.338 20 10 DECDMP CN1CCN(c2ccc(C[N@@H+](C)CC3(C)COC3)cc2F)CC1 ZINC001261830433 1144277755 /nfs/dbraw/zinc/27/77/55/1144277755.db2.gz WQVCLXBZDDVFKN-UHFFFAOYSA-N 2 1 321.440 2.046 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(C)COC1 ZINC001261830433 1144277757 /nfs/dbraw/zinc/27/77/57/1144277757.db2.gz WQVCLXBZDDVFKN-UHFFFAOYSA-N 2 1 321.440 2.046 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(C)COC1 ZINC001261830433 1144277760 /nfs/dbraw/zinc/27/77/60/1144277760.db2.gz WQVCLXBZDDVFKN-UHFFFAOYSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000368330404 227008332 /nfs/dbraw/zinc/00/83/32/227008332.db2.gz VWPOXEJDURMZJQ-DZGCQCFKSA-N 2 1 321.440 2.350 20 10 DECDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297731289 275048607 /nfs/dbraw/zinc/04/86/07/275048607.db2.gz NPKKVOOLBQIUKP-JKSUJKDBSA-N 2 1 304.434 2.206 20 10 DECDMP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000378371933 278011013 /nfs/dbraw/zinc/01/10/13/278011013.db2.gz QOHZDQKTHYMCEC-HLLBOEOZSA-N 2 1 320.433 2.084 20 10 DECDMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c1OC ZINC000891933708 624669769 /nfs/dbraw/zinc/66/97/69/624669769.db2.gz LWDLYYDIHFCIPC-UHFFFAOYSA-N 2 1 308.422 2.183 20 10 DECDMP COc1cc(C)cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1O ZINC000894259617 636591993 /nfs/dbraw/zinc/59/19/93/636591993.db2.gz DWLFPADMSVIIJH-INIZCTEOSA-N 2 1 322.449 2.036 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3CO)cc2)CC1 ZINC000895150033 637671415 /nfs/dbraw/zinc/67/14/15/637671415.db2.gz GJBGGUWJBSOZCF-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467641 642268837 /nfs/dbraw/zinc/26/88/37/642268837.db2.gz MFSQCWKOQMOZND-APWZRJJASA-N 2 1 317.477 2.295 20 10 DECDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467641 642268840 /nfs/dbraw/zinc/26/88/40/642268840.db2.gz MFSQCWKOQMOZND-APWZRJJASA-N 2 1 317.477 2.295 20 10 DECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467641 642268846 /nfs/dbraw/zinc/26/88/46/642268846.db2.gz MFSQCWKOQMOZND-APWZRJJASA-N 2 1 317.477 2.295 20 10 DECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467641 642268850 /nfs/dbraw/zinc/26/88/50/642268850.db2.gz MFSQCWKOQMOZND-APWZRJJASA-N 2 1 317.477 2.295 20 10 DECDMP CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789568585 643749515 /nfs/dbraw/zinc/74/95/15/643749515.db2.gz YCZOONXJYWOZFI-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000799735833 645215382 /nfs/dbraw/zinc/21/53/82/645215382.db2.gz BXKAWBYXUKHUFE-LPHOPBHVSA-N 2 1 317.477 2.438 20 10 DECDMP Cc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc1N(C)C ZINC000815120379 646973995 /nfs/dbraw/zinc/97/39/95/646973995.db2.gz QRVRVYQVGFFCIO-UHFFFAOYSA-N 2 1 320.525 2.376 20 10 DECDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817961037 647394445 /nfs/dbraw/zinc/39/44/45/647394445.db2.gz TUBSBOKSPJUCSA-WBMJQRKESA-N 2 1 307.413 2.050 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CCCO)C3)cc2)CC1 ZINC000825338318 648744964 /nfs/dbraw/zinc/74/49/64/648744964.db2.gz OIZWOBGXGOPLBI-QGZVFWFLSA-N 2 1 317.477 2.033 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844903148 651181108 /nfs/dbraw/zinc/18/11/08/651181108.db2.gz TXZZSHTZFCKPET-DEYYWGMASA-N 2 1 320.433 2.119 20 10 DECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CC[NH3+] ZINC000844902612 651181148 /nfs/dbraw/zinc/18/11/48/651181148.db2.gz SYODIGMSHLLGKA-QFBILLFUSA-N 2 1 317.477 2.473 20 10 DECDMP CCc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000848910692 651556398 /nfs/dbraw/zinc/55/63/98/651556398.db2.gz MYTHVGOVPUVOQC-UHFFFAOYSA-N 2 1 305.466 2.024 20 10 DECDMP Oc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)OCO2 ZINC000853093542 652500327 /nfs/dbraw/zinc/50/03/27/652500327.db2.gz MPFZYVUPYCCZEN-CQSZACIVSA-N 2 1 318.417 2.333 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000854216666 652658660 /nfs/dbraw/zinc/65/86/60/652658660.db2.gz CBGAIEUOTDONHH-ZIAGYGMSSA-N 2 1 312.417 2.432 20 10 DECDMP COc1cc(O)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000862483417 686307530 /nfs/dbraw/zinc/30/75/30/686307530.db2.gz SZQQUJRLWRCYEL-CYBMUJFWSA-N 2 1 308.422 2.231 20 10 DECDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000863647864 686539786 /nfs/dbraw/zinc/53/97/86/686539786.db2.gz FNJBAQBFTARQFA-UHFFFAOYSA-N 2 1 305.466 2.345 20 10 DECDMP COc1c(O)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000872254246 688965226 /nfs/dbraw/zinc/96/52/26/688965226.db2.gz XOABALVISGHYMW-GFCCVEGCSA-N 2 1 323.393 2.177 20 10 DECDMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)cccc2O)CC1 ZINC000876929501 689975335 /nfs/dbraw/zinc/97/53/35/689975335.db2.gz ZFZJBWWNBNMFGV-UHFFFAOYSA-N 2 1 305.466 2.208 20 10 DECDMP COCC[N@H+](Cc1c(C)cccc1O)CC1CC[NH+](C)CC1 ZINC000877664174 690183005 /nfs/dbraw/zinc/18/30/05/690183005.db2.gz JABBONXGILAUAF-UHFFFAOYSA-N 2 1 306.450 2.491 20 10 DECDMP COc1ccc(O)c([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925844877 693352316 /nfs/dbraw/zinc/35/23/16/693352316.db2.gz NGGHAHBMILNQLU-HNNXBMFYSA-N 2 1 321.465 2.127 20 10 DECDMP CN(C)C(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001177081212 794578159 /nfs/dbraw/zinc/57/81/59/794578159.db2.gz DOWJYFHOBGNCER-UHFFFAOYSA-N 2 1 322.472 2.007 20 10 DECDMP COc1cc(C[N@H+](C)Cc2cccnc2)cc(C[NH+](C)C)c1O ZINC001139253149 796349026 /nfs/dbraw/zinc/34/90/26/796349026.db2.gz NPRYUWQFQHLVAO-UHFFFAOYSA-N 2 1 315.417 2.489 20 10 DECDMP COc1cc(C[N@@H+](C)Cc2cccnc2)cc(C[NH+](C)C)c1O ZINC001139253149 796349029 /nfs/dbraw/zinc/34/90/29/796349029.db2.gz NPRYUWQFQHLVAO-UHFFFAOYSA-N 2 1 315.417 2.489 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)C3)cc2)CC1 ZINC001140299563 796502358 /nfs/dbraw/zinc/50/23/58/796502358.db2.gz ACDXWGIKJASODJ-GOSISDBHSA-N 2 1 317.477 2.033 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CCCO)C(C)C)cc2)CC1 ZINC001140304539 796503680 /nfs/dbraw/zinc/50/36/80/796503680.db2.gz UEGRLSGRMZZXQS-UHFFFAOYSA-N 2 1 319.493 2.421 20 10 DECDMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001205102862 800297602 /nfs/dbraw/zinc/29/76/02/800297602.db2.gz VJVCDNQSFQXTTC-INIZCTEOSA-N 2 1 315.461 2.404 20 10 DECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205725817 800408734 /nfs/dbraw/zinc/40/87/34/800408734.db2.gz LOKBTVHWSDXADG-SFHVURJKSA-N 2 1 300.402 2.221 20 10 DECDMP CN1CCCc2cc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc21 ZINC001205767845 800417072 /nfs/dbraw/zinc/41/70/72/800417072.db2.gz BGNZMCVBDRSIET-OAHLLOKOSA-N 2 1 309.404 2.485 20 10 DECDMP CN1CCCc2cc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc21 ZINC001205767845 800417074 /nfs/dbraw/zinc/41/70/74/800417074.db2.gz BGNZMCVBDRSIET-OAHLLOKOSA-N 2 1 309.404 2.485 20 10 DECDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233485148 802127409 /nfs/dbraw/zinc/12/74/09/802127409.db2.gz KSEKMDYGRUIAGE-UHFFFAOYSA-N 2 1 308.422 2.356 20 10 DECDMP Oc1c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)ccc2ccccc21 ZINC001222507331 802698409 /nfs/dbraw/zinc/69/84/09/802698409.db2.gz SHKOYUKZOOHXDO-ROUUACIJSA-N 2 1 311.429 2.071 20 10 DECDMP Oc1cc2ccccc2cc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511496 802698869 /nfs/dbraw/zinc/69/88/69/802698869.db2.gz YSNJMPTYTAPSED-ROUUACIJSA-N 2 1 311.429 2.071 20 10 DECDMP CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331082908 1149377318 /nfs/dbraw/zinc/37/73/18/1149377318.db2.gz HZVZLQSJSUJTTI-GOEBONIOSA-N 2 1 323.456 2.217 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@H](C[NH3+])C(C)C)CC2)cc1 ZINC001579225663 1067263885 /nfs/dbraw/zinc/26/38/85/1067263885.db2.gz SGIXKQGRWASGKG-INIZCTEOSA-N 2 1 305.466 2.438 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001205239485 1084095227 /nfs/dbraw/zinc/09/52/27/1084095227.db2.gz CGKVACAWCARDLN-AWEZNQCLSA-N 2 1 318.339 2.087 20 10 DECDMP C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)O1 ZINC001324849338 1147852986 /nfs/dbraw/zinc/85/29/86/1147852986.db2.gz RIHMMEMLEZNNDF-HOCLYGCPSA-N 2 1 321.440 2.235 20 10 DECDMP CC[N@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325657843 1147977677 /nfs/dbraw/zinc/97/76/77/1147977677.db2.gz FGCZYEATQXWIPT-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP CC[N@@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325657843 1147977679 /nfs/dbraw/zinc/97/76/79/1147977679.db2.gz FGCZYEATQXWIPT-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000180047238 524845062 /nfs/dbraw/zinc/84/50/62/524845062.db2.gz BGQYPQXEGGFLDW-UHFFFAOYSA-N 2 1 313.401 2.426 20 10 DECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCO2 ZINC000131375764 526336169 /nfs/dbraw/zinc/33/61/69/526336169.db2.gz WQLPPMYYMKLGHY-ZDUSSCGKSA-N 2 1 304.390 2.039 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCO2 ZINC000131375764 526336174 /nfs/dbraw/zinc/33/61/74/526336174.db2.gz WQLPPMYYMKLGHY-ZDUSSCGKSA-N 2 1 304.390 2.039 20 10 DECDMP C[N@@H+](CCCC[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000835061677 649873996 /nfs/dbraw/zinc/87/39/96/649873996.db2.gz IZEXNXNVGIJQNR-UHFFFAOYSA-N 2 1 317.477 2.487 20 10 DECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000162713893 625682239 /nfs/dbraw/zinc/68/22/39/625682239.db2.gz APTGHXOCLHIJOJ-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000162713893 625682245 /nfs/dbraw/zinc/68/22/45/625682245.db2.gz APTGHXOCLHIJOJ-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000162713893 625682253 /nfs/dbraw/zinc/68/22/53/625682253.db2.gz APTGHXOCLHIJOJ-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP C[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000895296817 637901089 /nfs/dbraw/zinc/90/10/89/637901089.db2.gz FGVAVVDEICUCOY-AWEZNQCLSA-N 2 1 309.429 2.092 20 10 DECDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000841085656 650427085 /nfs/dbraw/zinc/42/70/85/650427085.db2.gz AFSRXPJBVDDMTK-KRWDZBQOSA-N 2 1 321.440 2.269 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nccs3)cc2)CC1 ZINC000771824159 641555598 /nfs/dbraw/zinc/55/55/98/641555598.db2.gz MGKCUZATDZEWBQ-UHFFFAOYSA-N 2 1 302.447 2.185 20 10 DECDMP C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780893575 642685257 /nfs/dbraw/zinc/68/52/57/642685257.db2.gz YFPLSZPSLUBTLL-AEFFLSMTSA-N 2 1 317.477 2.031 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000902519328 643063502 /nfs/dbraw/zinc/06/35/02/643063502.db2.gz ZEKHHOUIAMJKOD-NEWSRXKRSA-N 2 1 318.509 2.462 20 10 DECDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954524 643528931 /nfs/dbraw/zinc/52/89/31/643528931.db2.gz DIYHRJMMJFQOES-LBPRGKRZSA-N 2 1 301.356 2.226 20 10 DECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903980266 643534338 /nfs/dbraw/zinc/53/43/38/643534338.db2.gz MPIPXZWXRDBLDS-HDICACEKSA-N 2 1 315.461 2.101 20 10 DECDMP Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903980266 643534341 /nfs/dbraw/zinc/53/43/41/643534341.db2.gz MPIPXZWXRDBLDS-HDICACEKSA-N 2 1 315.461 2.101 20 10 DECDMP Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903980266 643534345 /nfs/dbraw/zinc/53/43/45/643534345.db2.gz MPIPXZWXRDBLDS-HDICACEKSA-N 2 1 315.461 2.101 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CC[NH3+])cc2)CC1 ZINC000843123646 650900629 /nfs/dbraw/zinc/90/06/29/650900629.db2.gz MCRTXWWPFROZAN-SFHVURJKSA-N 3 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cc2)CC1 ZINC000843123646 650900630 /nfs/dbraw/zinc/90/06/30/650900630.db2.gz MCRTXWWPFROZAN-SFHVURJKSA-N 2 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CC[NH3+])cc2)CC1 ZINC000843123646 650900632 /nfs/dbraw/zinc/90/06/32/650900632.db2.gz MCRTXWWPFROZAN-SFHVURJKSA-N 2 1 316.493 2.142 20 10 DECDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817961035 647394993 /nfs/dbraw/zinc/39/49/93/647394993.db2.gz TUBSBOKSPJUCSA-LRDDRELGSA-N 2 1 307.413 2.050 20 10 DECDMP COC[C@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824583419 648616299 /nfs/dbraw/zinc/61/62/99/648616299.db2.gz LFHSSBYAWFOLIW-LJQANCHMSA-N 2 1 317.477 2.297 20 10 DECDMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185021805 649423804 /nfs/dbraw/zinc/42/38/04/649423804.db2.gz WXXRTGHQWYFKMG-KBPBESRZSA-N 2 1 309.429 2.208 20 10 DECDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733330818 649546339 /nfs/dbraw/zinc/54/63/39/649546339.db2.gz OTOGKXSVCUFWAY-LJQANCHMSA-N 2 1 317.477 2.486 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000844902894 651180878 /nfs/dbraw/zinc/18/08/78/651180878.db2.gz WLQUCVWGOMTDLM-OCCSQVGLSA-N 2 1 308.422 2.359 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC000846051778 651304624 /nfs/dbraw/zinc/30/46/24/651304624.db2.gz IJWXWLOQTAYMFB-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)OCO2 ZINC000849350596 651655895 /nfs/dbraw/zinc/65/58/95/651655895.db2.gz RTIKLACJADKHNA-AWEZNQCLSA-N 2 1 318.417 2.333 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000850488217 651937612 /nfs/dbraw/zinc/93/76/12/651937612.db2.gz RBJPKUKPOAIQIC-INIZCTEOSA-N 2 1 315.461 2.490 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000850488221 651938002 /nfs/dbraw/zinc/93/80/02/651938002.db2.gz RBJPKUKPOAIQIC-MRXNPFEDSA-N 2 1 315.461 2.490 20 10 DECDMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850500298 651940768 /nfs/dbraw/zinc/94/07/68/651940768.db2.gz FSERDYPQGFNBJU-KBPBESRZSA-N 2 1 311.445 2.454 20 10 DECDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000858245106 652288236 /nfs/dbraw/zinc/28/82/36/652288236.db2.gz NFJJOAMKYNBXBR-GOSISDBHSA-N 2 1 317.477 2.345 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000852762420 652452415 /nfs/dbraw/zinc/45/24/15/652452415.db2.gz NANWSZCTSIAUNS-GOSISDBHSA-N 2 1 305.466 2.295 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000852762420 652452417 /nfs/dbraw/zinc/45/24/17/652452417.db2.gz NANWSZCTSIAUNS-GOSISDBHSA-N 2 1 305.466 2.295 20 10 DECDMP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(O)cccc1F ZINC000886526209 692102118 /nfs/dbraw/zinc/10/21/18/692102118.db2.gz HMRIUWVNBTXBBL-UONOGXRCSA-N 2 1 321.440 2.350 20 10 DECDMP Oc1cc(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001144499796 790934779 /nfs/dbraw/zinc/93/47/79/790934779.db2.gz JKWZWNFYWAOBDK-UHFFFAOYSA-N 2 1 306.406 2.254 20 10 DECDMP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001116166892 794942229 /nfs/dbraw/zinc/94/22/29/794942229.db2.gz ZXAUUYWNCPPZTO-GOSISDBHSA-N 2 1 323.456 2.338 20 10 DECDMP COc1cc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139254339 796350630 /nfs/dbraw/zinc/35/06/30/796350630.db2.gz HHOUYIZTQWMDKQ-KGLIPLIRSA-N 2 1 322.449 2.055 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@H]1O ZINC001139407898 796372853 /nfs/dbraw/zinc/37/28/53/796372853.db2.gz FNKYZVNRGFBRPZ-QFBILLFUSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCOC3)cc2)CC1 ZINC001140304467 796503946 /nfs/dbraw/zinc/50/39/46/796503946.db2.gz QYFSQBFBGKTYAI-GOSISDBHSA-N 2 1 303.450 2.049 20 10 DECDMP Cc1ccc(O)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001140620070 796547099 /nfs/dbraw/zinc/54/70/99/796547099.db2.gz BNGVZGNYAPEEGE-UHFFFAOYSA-N 2 1 303.406 2.331 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206173960 800483302 /nfs/dbraw/zinc/48/33/02/800483302.db2.gz KVQRRTRRSMGOBJ-JKSUJKDBSA-N 2 1 309.429 2.500 20 10 DECDMP Cc1c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c2ccccc2n1C ZINC001222091068 802641577 /nfs/dbraw/zinc/64/15/77/802641577.db2.gz OCJJTNYQTMJZCV-UHFFFAOYSA-N 2 1 312.461 2.014 20 10 DECDMP COc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c(O)c1Cl ZINC001222548244 802705359 /nfs/dbraw/zinc/70/53/59/802705359.db2.gz CNPSYIXLQUDXJG-UHFFFAOYSA-N 2 1 302.777 2.317 20 10 DECDMP C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655688265 1080012142 /nfs/dbraw/zinc/01/21/42/1080012142.db2.gz WEWJCHSYKLYQQY-LSDHHAIUSA-N 2 1 323.456 2.074 20 10 DECDMP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001276804647 1083621452 /nfs/dbraw/zinc/62/14/52/1083621452.db2.gz JFGHGODIRYILGR-ROUUACIJSA-N 2 1 317.477 2.165 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CNC(C)(C)O1 ZINC001235694090 1084501931 /nfs/dbraw/zinc/50/19/31/1084501931.db2.gz LLGYXYOVQBWWNB-KRWDZBQOSA-N 2 1 303.450 2.443 20 10 DECDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CNC(C)(C)O1 ZINC001235694090 1084501934 /nfs/dbraw/zinc/50/19/34/1084501934.db2.gz LLGYXYOVQBWWNB-KRWDZBQOSA-N 2 1 303.450 2.443 20 10 DECDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(OC)c1 ZINC001276193714 1091676522 /nfs/dbraw/zinc/67/65/22/1091676522.db2.gz GVLJTAXPGBGKFL-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP COc1cc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(OC)c1 ZINC001276193714 1091676525 /nfs/dbraw/zinc/67/65/25/1091676525.db2.gz GVLJTAXPGBGKFL-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP COc1cc(O)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(OC)c1 ZINC001276193714 1091676528 /nfs/dbraw/zinc/67/65/28/1091676528.db2.gz GVLJTAXPGBGKFL-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP COC[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930723 1138459666 /nfs/dbraw/zinc/45/96/66/1138459666.db2.gz FINLVCJXBPKWEH-QGZVFWFLSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320968393 1141011211 /nfs/dbraw/zinc/01/12/11/1141011211.db2.gz ZDXDKQYHSXOIBD-KBXCAEBGSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324378169 1142066141 /nfs/dbraw/zinc/06/61/41/1142066141.db2.gz KMUTVWVMLODGGB-AWEZNQCLSA-N 2 1 323.456 2.217 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2F)CC1 ZINC001324919929 1147857892 /nfs/dbraw/zinc/85/78/92/1147857892.db2.gz IBFZYFXEEHBNBR-OAHLLOKOSA-N 2 1 323.481 2.420 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC000093394892 355681518 /nfs/dbraw/zinc/68/15/18/355681518.db2.gz YEJVLGXHXGQBSM-UHFFFAOYSA-N 2 1 306.450 2.288 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC000093394892 355681520 /nfs/dbraw/zinc/68/15/20/355681520.db2.gz YEJVLGXHXGQBSM-UHFFFAOYSA-N 2 1 306.450 2.288 20 10 DECDMP CN(C)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000282197895 403131519 /nfs/dbraw/zinc/13/15/19/403131519.db2.gz CLWVKIBBYYLJRZ-UHFFFAOYSA-N 2 1 322.472 2.007 20 10 DECDMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001327581485 1148593296 /nfs/dbraw/zinc/59/32/96/1148593296.db2.gz HBDDYFUHHWORDU-WKILWMFISA-N 2 1 321.440 2.235 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894376819 636959180 /nfs/dbraw/zinc/95/91/80/636959180.db2.gz WRHBKQTZAQIXOJ-UHFFFAOYSA-N 2 1 318.509 2.178 20 10 DECDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(O)c1OC ZINC000894497348 637069593 /nfs/dbraw/zinc/06/95/93/637069593.db2.gz XTFXBKDBSGZZOM-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497348 637069596 /nfs/dbraw/zinc/06/95/96/637069596.db2.gz XTFXBKDBSGZZOM-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497348 637069598 /nfs/dbraw/zinc/06/95/98/637069598.db2.gz XTFXBKDBSGZZOM-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000923392649 637161093 /nfs/dbraw/zinc/16/10/93/637161093.db2.gz KPGVDBRCWRVXLI-UHFFFAOYSA-N 2 1 315.461 2.227 20 10 DECDMP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000923392649 637161096 /nfs/dbraw/zinc/16/10/96/637161096.db2.gz KPGVDBRCWRVXLI-UHFFFAOYSA-N 2 1 315.461 2.227 20 10 DECDMP COCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC[NH2+]CC1 ZINC000841067483 650420988 /nfs/dbraw/zinc/42/09/88/650420988.db2.gz AWGBMGWCVRKFRQ-UHFFFAOYSA-N 2 1 316.804 2.291 20 10 DECDMP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)N1CC[NH+](C)CC1 ZINC000841746657 640492892 /nfs/dbraw/zinc/49/28/92/640492892.db2.gz JVNCUTNDKVIFQM-CHWSQXEVSA-N 2 1 311.857 2.332 20 10 DECDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)N1CC[NH+](C)CC1 ZINC000841746660 640493033 /nfs/dbraw/zinc/49/30/33/640493033.db2.gz JVNCUTNDKVIFQM-STQMWFEESA-N 2 1 311.857 2.332 20 10 DECDMP CC(C)([NH3+])C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841031586 640854714 /nfs/dbraw/zinc/85/47/14/640854714.db2.gz XHDHJZONPNYJOU-UHFFFAOYSA-N 2 1 306.410 2.412 20 10 DECDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769471655 641246185 /nfs/dbraw/zinc/24/61/85/641246185.db2.gz XJDCIHVRFILFNQ-JSGCOSHPSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769471655 641246187 /nfs/dbraw/zinc/24/61/87/641246187.db2.gz XJDCIHVRFILFNQ-JSGCOSHPSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769471655 641246189 /nfs/dbraw/zinc/24/61/89/641246189.db2.gz XJDCIHVRFILFNQ-JSGCOSHPSA-N 2 1 306.406 2.426 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCOC1 ZINC000775653228 642073299 /nfs/dbraw/zinc/07/32/99/642073299.db2.gz AHGFCFPORZJMBA-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(C)(C)O1 ZINC000775662596 642073745 /nfs/dbraw/zinc/07/37/45/642073745.db2.gz VASTUHIPAQBQFR-INIZCTEOSA-N 2 1 317.477 2.438 20 10 DECDMP C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701993 642080771 /nfs/dbraw/zinc/08/07/71/642080771.db2.gz KHGXOADJCAOKEA-LPHOPBHVSA-N 2 1 317.477 2.174 20 10 DECDMP C[C@H]1CSCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775696392 642081586 /nfs/dbraw/zinc/08/15/86/642081586.db2.gz KBJREMZHMBPTAJ-HNNXBMFYSA-N 2 1 305.491 2.376 20 10 DECDMP C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780893578 642685467 /nfs/dbraw/zinc/68/54/67/642685467.db2.gz YFPLSZPSLUBTLL-SJLPKXTDSA-N 2 1 317.477 2.031 20 10 DECDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051022 650877712 /nfs/dbraw/zinc/87/77/12/650877712.db2.gz DENGXNDNURXTNG-NVXWUHKLSA-N 2 1 303.450 2.082 20 10 DECDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000843058393 650880024 /nfs/dbraw/zinc/88/00/24/650880024.db2.gz QVNNZSUJZKBAND-QXAKKESOSA-N 2 1 315.461 2.082 20 10 DECDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC12CCOCC2 ZINC000843124517 650900866 /nfs/dbraw/zinc/90/08/66/650900866.db2.gz BVSKLUQBOFFHCK-ZDUSSCGKSA-N 2 1 310.825 2.233 20 10 DECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC12CCOCC2 ZINC000843124515 650901575 /nfs/dbraw/zinc/90/15/75/650901575.db2.gz BVSKLUQBOFFHCK-CYBMUJFWSA-N 2 1 310.825 2.233 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)cc2)CC1 ZINC000843421279 650971687 /nfs/dbraw/zinc/97/16/87/650971687.db2.gz VYEXGHIHTQQAKH-MJGOQNOKSA-N 2 1 315.461 2.049 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000817981361 647399536 /nfs/dbraw/zinc/39/95/36/647399536.db2.gz RLIUWYHJUJQEDV-JSGCOSHPSA-N 2 1 306.406 2.362 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000850489668 651939060 /nfs/dbraw/zinc/93/90/60/651939060.db2.gz WKUNJOAKAKAUKM-UNPWZGGWSA-N 2 1 315.461 2.489 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000854216664 652658756 /nfs/dbraw/zinc/65/87/56/652658756.db2.gz CBGAIEUOTDONHH-KGLIPLIRSA-N 2 1 312.417 2.432 20 10 DECDMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886504236 692095537 /nfs/dbraw/zinc/09/55/37/692095537.db2.gz XQMFAXGVQITEDZ-KGLIPLIRSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1c(O)cccc1F ZINC000886526352 692101754 /nfs/dbraw/zinc/10/17/54/692101754.db2.gz KWJBEPPWICBFST-KGLIPLIRSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1c(O)cccc1F ZINC000886526352 692101755 /nfs/dbraw/zinc/10/17/55/692101755.db2.gz KWJBEPPWICBFST-KGLIPLIRSA-N 2 1 310.413 2.419 20 10 DECDMP Cc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c(O)c1 ZINC000925842572 693350955 /nfs/dbraw/zinc/35/09/55/693350955.db2.gz APOMOWZNHZDZGQ-INIZCTEOSA-N 2 1 305.466 2.427 20 10 DECDMP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169124269 785046067 /nfs/dbraw/zinc/04/60/67/785046067.db2.gz BGEWVARYFFTTSN-PIIMJCKOSA-N 2 1 315.461 2.442 20 10 DECDMP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169124269 785046075 /nfs/dbraw/zinc/04/60/75/785046075.db2.gz BGEWVARYFFTTSN-PIIMJCKOSA-N 2 1 315.461 2.442 20 10 DECDMP [NH3+][C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1F ZINC001206153718 793271560 /nfs/dbraw/zinc/27/15/60/793271560.db2.gz FICHONHJEWIRJJ-NWDGAFQWSA-N 2 1 317.202 2.416 20 10 DECDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1F ZINC001206153718 793271566 /nfs/dbraw/zinc/27/15/66/793271566.db2.gz FICHONHJEWIRJJ-NWDGAFQWSA-N 2 1 317.202 2.416 20 10 DECDMP COCCC[NH+]1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001172253399 793390277 /nfs/dbraw/zinc/39/02/77/793390277.db2.gz OJSJEKMFQUESAE-UHFFFAOYSA-N 2 1 304.434 2.251 20 10 DECDMP COCCC[NH+]1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001172253399 793390283 /nfs/dbraw/zinc/39/02/83/793390283.db2.gz OJSJEKMFQUESAE-UHFFFAOYSA-N 2 1 304.434 2.251 20 10 DECDMP COC[C@@H]1CCC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253178 796348719 /nfs/dbraw/zinc/34/87/19/796348719.db2.gz OQLIEQRHXVFKCX-HNNXBMFYSA-N 2 1 308.422 2.073 20 10 DECDMP COc1cc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139254338 796350412 /nfs/dbraw/zinc/35/04/12/796350412.db2.gz HHOUYIZTQWMDKQ-KBPBESRZSA-N 2 1 322.449 2.055 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC34COC4)cc2)CC1 ZINC001140304119 796503996 /nfs/dbraw/zinc/50/39/96/796503996.db2.gz IQYRNEUQDMBQRW-UHFFFAOYSA-N 2 1 315.461 2.193 20 10 DECDMP COc1ccc(O)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001203672846 800103620 /nfs/dbraw/zinc/10/36/20/800103620.db2.gz GBFTWHQKAIZPCG-UHFFFAOYSA-N 2 1 319.405 2.031 20 10 DECDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933512 800147770 /nfs/dbraw/zinc/14/77/70/800147770.db2.gz OAERXMIYNYBDPF-UHFFFAOYSA-N 2 1 316.449 2.383 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001205220836 800322204 /nfs/dbraw/zinc/32/22/04/800322204.db2.gz MPYUTPCQXCNOKA-LJQANCHMSA-N 2 1 317.477 2.353 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205570913 800378666 /nfs/dbraw/zinc/37/86/66/800378666.db2.gz POJNCYVITXLWKA-QGZVFWFLSA-N 2 1 309.429 2.414 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571582 800379288 /nfs/dbraw/zinc/37/92/88/800379288.db2.gz VGFUBAHDTLMJAY-MRXNPFEDSA-N 2 1 312.385 2.062 20 10 DECDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828623 800428497 /nfs/dbraw/zinc/42/84/97/800428497.db2.gz MAEHRHHUNBXREZ-MAUKXSAKSA-N 2 1 317.477 2.207 20 10 DECDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828623 800428503 /nfs/dbraw/zinc/42/85/03/800428503.db2.gz MAEHRHHUNBXREZ-MAUKXSAKSA-N 2 1 317.477 2.207 20 10 DECDMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)cc3OC)C[C@H]2C1 ZINC001231854498 801739164 /nfs/dbraw/zinc/73/91/64/801739164.db2.gz BENFDHBTZBOASK-HZPDHXFCSA-N 2 1 303.450 2.145 20 10 DECDMP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000316016724 802495581 /nfs/dbraw/zinc/49/55/81/802495581.db2.gz CAIHHDQHRPDSIB-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222104993 802644771 /nfs/dbraw/zinc/64/47/71/802644771.db2.gz PRNGOHKLJDLAMO-UHFFFAOYSA-N 2 1 317.477 2.217 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492114 802694039 /nfs/dbraw/zinc/69/40/39/802694039.db2.gz ONVQHTKLALIFCB-OALUTQOASA-N 2 1 316.493 2.059 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492114 802694042 /nfs/dbraw/zinc/69/40/42/802694042.db2.gz ONVQHTKLALIFCB-OALUTQOASA-N 2 1 316.493 2.059 20 10 DECDMP CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331082907 1149377675 /nfs/dbraw/zinc/37/76/75/1149377675.db2.gz HZVZLQSJSUJTTI-GDBMZVCRSA-N 2 1 323.456 2.217 20 10 DECDMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1Cn1cccn1 ZINC001579216354 1067263010 /nfs/dbraw/zinc/26/30/10/1067263010.db2.gz QKYOEOWNASRGOT-QGZVFWFLSA-N 2 1 316.449 2.403 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205231157 1084029896 /nfs/dbraw/zinc/02/98/96/1084029896.db2.gz XCZLTXVTGYOYTJ-INIZCTEOSA-N 2 1 311.857 2.082 20 10 DECDMP CCC[N@@H+]1C[C@H]2CN(Cc3cc(OC)c(OC)cc3O)C[C@H]2C1 ZINC001236755054 1138410128 /nfs/dbraw/zinc/41/01/28/1138410128.db2.gz YHVXARMJSKYLGC-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236755054 1138410136 /nfs/dbraw/zinc/41/01/36/1138410136.db2.gz YHVXARMJSKYLGC-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236755054 1138410138 /nfs/dbraw/zinc/41/01/38/1138410138.db2.gz YHVXARMJSKYLGC-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236755054 1138410139 /nfs/dbraw/zinc/41/01/39/1138410139.db2.gz YHVXARMJSKYLGC-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236755054 1138410148 /nfs/dbraw/zinc/41/01/48/1138410148.db2.gz YHVXARMJSKYLGC-GASCZTMLSA-N 2 1 320.433 2.183 20 10 DECDMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001236788344 1138428559 /nfs/dbraw/zinc/42/85/59/1138428559.db2.gz JFGHGODIRYILGR-ZWKOTPCHSA-N 2 1 317.477 2.165 20 10 DECDMP CCC(CC)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318553471 1140364696 /nfs/dbraw/zinc/36/46/96/1140364696.db2.gz AGHZAALYSGNQKG-UHFFFAOYSA-N 2 1 323.456 2.218 20 10 DECDMP CC[N@H+](C)C1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249216479 1141860298 /nfs/dbraw/zinc/86/02/98/1141860298.db2.gz AYECRHJLVBGWJP-UHFFFAOYSA-N 2 1 320.433 2.024 20 10 DECDMP CC[N@@H+](C)C1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249216479 1141860299 /nfs/dbraw/zinc/86/02/99/1141860299.db2.gz AYECRHJLVBGWJP-UHFFFAOYSA-N 2 1 320.433 2.024 20 10 DECDMP CCC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001324458552 1142081184 /nfs/dbraw/zinc/08/11/84/1142081184.db2.gz BUVSOGLMPXAHMB-INIZCTEOSA-N 2 1 323.456 2.482 20 10 DECDMP C[C@H]1COCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324746500 1147839392 /nfs/dbraw/zinc/83/93/92/1147839392.db2.gz MRIBIPSKYLLIEQ-HNNXBMFYSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@H]1COCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324746500 1147839394 /nfs/dbraw/zinc/83/93/94/1147839394.db2.gz MRIBIPSKYLLIEQ-HNNXBMFYSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@@H](CCCO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326447943 1148101840 /nfs/dbraw/zinc/10/18/40/1148101840.db2.gz ZMCGKUKBFYHYRC-HNNXBMFYSA-N 2 1 323.456 2.076 20 10 DECDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151921148 402065958 /nfs/dbraw/zinc/06/59/58/402065958.db2.gz ZILKOZMTFOOIMV-CQSZACIVSA-N 2 1 309.429 2.265 20 10 DECDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278944631 402889027 /nfs/dbraw/zinc/88/90/27/402889027.db2.gz YKCWIOREDDNBSC-LBPRGKRZSA-N 2 1 323.393 2.131 20 10 DECDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278944631 402889028 /nfs/dbraw/zinc/88/90/28/402889028.db2.gz YKCWIOREDDNBSC-LBPRGKRZSA-N 2 1 323.393 2.131 20 10 DECDMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(O)c1OC ZINC000892624885 625201247 /nfs/dbraw/zinc/20/12/47/625201247.db2.gz YUPCEWWZDZTGIF-UHFFFAOYSA-N 2 1 305.378 2.094 20 10 DECDMP COc1cc(C)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000894786416 637211245 /nfs/dbraw/zinc/21/12/45/637211245.db2.gz IJZXRKFCRPTPPF-UHFFFAOYSA-N 2 1 323.481 2.025 20 10 DECDMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000894859253 637264874 /nfs/dbraw/zinc/26/48/74/637264874.db2.gz SAPDVXSYSDPRGM-ZDUSSCGKSA-N 2 1 308.422 2.231 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000840916053 650379775 /nfs/dbraw/zinc/37/97/75/650379775.db2.gz WEPKNRORZNJMPR-UHFFFAOYSA-N 2 1 319.493 2.340 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000840916053 650379778 /nfs/dbraw/zinc/37/97/78/650379778.db2.gz WEPKNRORZNJMPR-UHFFFAOYSA-N 2 1 319.493 2.340 20 10 DECDMP CN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841031865 650409687 /nfs/dbraw/zinc/40/96/87/650409687.db2.gz ZPFDSFSUARVKID-MJGOQNOKSA-N 2 1 316.493 2.046 20 10 DECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841029874 650408791 /nfs/dbraw/zinc/40/87/91/650408791.db2.gz SZNHOOPZWKBKBK-OAHLLOKOSA-N 2 1 309.429 2.269 20 10 DECDMP CC(C)C[C@@H](CN)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841038964 650410974 /nfs/dbraw/zinc/41/09/74/650410974.db2.gz VVITWFJFAZOWRP-HNNXBMFYSA-N 2 1 309.429 2.125 20 10 DECDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841038964 650410977 /nfs/dbraw/zinc/41/09/77/650410977.db2.gz VVITWFJFAZOWRP-HNNXBMFYSA-N 2 1 309.429 2.125 20 10 DECDMP C[NH+]1CCN(c2ccc(CNCC3([NH3+])CCCCC3)cc2)CC1 ZINC000841039316 650411926 /nfs/dbraw/zinc/41/19/26/650411926.db2.gz KLAHZHLNDMHULW-UHFFFAOYSA-N 2 1 316.493 2.190 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000756546408 639671985 /nfs/dbraw/zinc/67/19/85/639671985.db2.gz PPQINIWEMQKPRX-LBPRGKRZSA-N 2 1 306.406 2.171 20 10 DECDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787914 640460024 /nfs/dbraw/zinc/46/00/24/640460024.db2.gz OADRMJVFLFQBCG-LPHOPBHVSA-N 2 1 317.477 2.394 20 10 DECDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787914 640460029 /nfs/dbraw/zinc/46/00/29/640460029.db2.gz OADRMJVFLFQBCG-LPHOPBHVSA-N 2 1 317.477 2.394 20 10 DECDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769471656 641245625 /nfs/dbraw/zinc/24/56/25/641245625.db2.gz XJDCIHVRFILFNQ-OCCSQVGLSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769471656 641245629 /nfs/dbraw/zinc/24/56/29/641245629.db2.gz XJDCIHVRFILFNQ-OCCSQVGLSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769471656 641245635 /nfs/dbraw/zinc/24/56/35/641245635.db2.gz XJDCIHVRFILFNQ-OCCSQVGLSA-N 2 1 306.406 2.426 20 10 DECDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1O ZINC000775502889 642052597 /nfs/dbraw/zinc/05/25/97/642052597.db2.gz XUKQNNZRQMHTIM-GDBMZVCRSA-N 2 1 319.449 2.020 20 10 DECDMP C[C@]1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000843114864 650898081 /nfs/dbraw/zinc/89/80/81/650898081.db2.gz IOGMYOAMEVMOJH-WMZOPIPTSA-N 2 1 304.434 2.373 20 10 DECDMP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1O ZINC000843386197 650963733 /nfs/dbraw/zinc/96/37/33/650963733.db2.gz DIWJIDVXGDIDDR-BETUJISGSA-N 2 1 306.381 2.165 20 10 DECDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000817866072 647368978 /nfs/dbraw/zinc/36/89/78/647368978.db2.gz VXJKTAGGOUZGRL-OBJOEFQTSA-N 2 1 308.422 2.215 20 10 DECDMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817964683 647394679 /nfs/dbraw/zinc/39/46/79/647394679.db2.gz DRUIHCQGICQYNR-GFCCVEGCSA-N 2 1 309.841 2.047 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000818431973 647464834 /nfs/dbraw/zinc/46/48/34/647464834.db2.gz YQBMHTSDWURFMS-ZDUSSCGKSA-N 2 1 320.433 2.373 20 10 DECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CC[NH3+] ZINC000844902610 651181019 /nfs/dbraw/zinc/18/10/19/651181019.db2.gz SYODIGMSHLLGKA-APWZRJJASA-N 2 1 317.477 2.473 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852745819 652448267 /nfs/dbraw/zinc/44/82/67/652448267.db2.gz ANQKJOIFNSQXGM-SFHVURJKSA-N 2 1 317.477 2.486 20 10 DECDMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Cn1cccn1 ZINC000873030049 689144411 /nfs/dbraw/zinc/14/44/11/689144411.db2.gz ZVROCCOBASZFOQ-HNNXBMFYSA-N 2 1 316.449 2.370 20 10 DECDMP Cc1cccc(O)c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525505 690140719 /nfs/dbraw/zinc/14/07/19/690140719.db2.gz GCFKTSQIZGZSGY-KRWDZBQOSA-N 2 1 317.477 2.301 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1c(O)cccc1F ZINC000886526354 692102128 /nfs/dbraw/zinc/10/21/28/692102128.db2.gz KWJBEPPWICBFST-ZIAGYGMSSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1c(O)cccc1F ZINC000886526354 692102130 /nfs/dbraw/zinc/10/21/30/692102130.db2.gz KWJBEPPWICBFST-ZIAGYGMSSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886595061 692123481 /nfs/dbraw/zinc/12/34/81/692123481.db2.gz ZVXWCICMPBUSMH-KGLIPLIRSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001333866365 1150107282 /nfs/dbraw/zinc/10/72/82/1150107282.db2.gz DYXFRQJGYZYSNG-HNNXBMFYSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001333866365 1150107285 /nfs/dbraw/zinc/10/72/85/1150107285.db2.gz DYXFRQJGYZYSNG-HNNXBMFYSA-N 2 1 321.440 2.188 20 10 DECDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235979 793380563 /nfs/dbraw/zinc/38/05/63/793380563.db2.gz ZQLSJMHNDHPPEH-AYHJJNSGSA-N 2 1 314.429 2.432 20 10 DECDMP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1O ZINC001184387287 796052354 /nfs/dbraw/zinc/05/23/54/796052354.db2.gz IJVJVGFOGZQIEP-LERXQTSPSA-N 2 1 310.825 2.484 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)cc(C[NH+](C)C)c1O ZINC001139258887 796349913 /nfs/dbraw/zinc/34/99/13/796349913.db2.gz ZIDQHYBBNNIFKL-MRXNPFEDSA-N 2 1 322.449 2.463 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@]1(C)O ZINC001139409277 796372315 /nfs/dbraw/zinc/37/23/15/796372315.db2.gz YWJFQIINJFCISI-VQIMIIECSA-N 2 1 317.477 2.031 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC34COC4)cc2)CC1 ZINC001139409382 796372521 /nfs/dbraw/zinc/37/25/21/796372521.db2.gz KTYZTCXJBGENBQ-UHFFFAOYSA-N 2 1 315.461 2.193 20 10 DECDMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140178925 796486334 /nfs/dbraw/zinc/48/63/34/796486334.db2.gz CWCLQMQMRXXURP-DOTOQJQBSA-N 2 1 304.434 2.162 20 10 DECDMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140178925 796486336 /nfs/dbraw/zinc/48/63/36/796486336.db2.gz CWCLQMQMRXXURP-DOTOQJQBSA-N 2 1 304.434 2.162 20 10 DECDMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140178925 796486340 /nfs/dbraw/zinc/48/63/40/796486340.db2.gz CWCLQMQMRXXURP-DOTOQJQBSA-N 2 1 304.434 2.162 20 10 DECDMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140178925 796486345 /nfs/dbraw/zinc/48/63/45/796486345.db2.gz CWCLQMQMRXXURP-DOTOQJQBSA-N 2 1 304.434 2.162 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)CC[C@H]3C)cc2)CC1 ZINC001140301973 796503126 /nfs/dbraw/zinc/50/31/26/796503126.db2.gz GBIKNTRXTORLNB-APWZRJJASA-N 2 1 317.477 2.174 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C[C@H]3C)cc2)CC1 ZINC001140304686 796503543 /nfs/dbraw/zinc/50/35/43/796503543.db2.gz YHYSLHGDDLNPSR-APWZRJJASA-N 2 1 317.477 2.174 20 10 DECDMP CSCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001200611220 798662778 /nfs/dbraw/zinc/66/27/78/798662778.db2.gz DUKHLLVACVANOF-UHFFFAOYSA-N 2 1 311.470 2.420 20 10 DECDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556219 800078994 /nfs/dbraw/zinc/07/89/94/800078994.db2.gz OQFOBDZVHKINAR-KRWDZBQOSA-N 2 1 304.434 2.467 20 10 DECDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556219 800079004 /nfs/dbraw/zinc/07/90/04/800079004.db2.gz OQFOBDZVHKINAR-KRWDZBQOSA-N 2 1 304.434 2.467 20 10 DECDMP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203555734 800079807 /nfs/dbraw/zinc/07/98/07/800079807.db2.gz FXTFJXFKNFNDCU-UHFFFAOYSA-N 2 1 304.434 2.467 20 10 DECDMP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203555734 800079815 /nfs/dbraw/zinc/07/98/15/800079815.db2.gz FXTFJXFKNFNDCU-UHFFFAOYSA-N 2 1 304.434 2.467 20 10 DECDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc(O)c1O ZINC001204345074 800207160 /nfs/dbraw/zinc/20/71/60/800207160.db2.gz GSZRPDSTTCWIRN-UHFFFAOYSA-N 2 1 306.406 2.024 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205210501 800316359 /nfs/dbraw/zinc/31/63/59/800316359.db2.gz OSNRJBYFIOQWDU-SFHVURJKSA-N 2 1 305.466 2.209 20 10 DECDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205266970 800332808 /nfs/dbraw/zinc/33/28/08/800332808.db2.gz ZCIHFCLRWUKXIZ-SFHVURJKSA-N 2 1 303.450 2.227 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(OC)c1 ZINC001205571580 800379225 /nfs/dbraw/zinc/37/92/25/800379225.db2.gz VGFUBAHDTLMJAY-INIZCTEOSA-N 2 1 312.385 2.062 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(O)c(OC)c1 ZINC001206028171 800460833 /nfs/dbraw/zinc/46/08/33/800460833.db2.gz XNGVXPXFQSBONV-QWHCGFSZSA-N 2 1 308.422 2.216 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206188860 800486570 /nfs/dbraw/zinc/48/65/70/800486570.db2.gz WBJJXNVWSPGEMN-RYUDHWBXSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206188860 800486572 /nfs/dbraw/zinc/48/65/72/800486572.db2.gz WBJJXNVWSPGEMN-RYUDHWBXSA-N 2 1 302.777 2.315 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)O1 ZINC001335507283 1150437860 /nfs/dbraw/zinc/43/78/60/1150437860.db2.gz OTKCGBWHFAKKIB-CKEIUWERSA-N 2 1 321.440 2.233 20 10 DECDMP COc1cc(C)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001579144778 1067241817 /nfs/dbraw/zinc/24/18/17/1067241817.db2.gz QMXVPXIOHZZIOP-GWCFXTLKSA-N 2 1 318.339 2.278 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CCO)cc2F)CC1 ZINC001560357567 1075138339 /nfs/dbraw/zinc/13/83/39/1075138339.db2.gz QFZVVMXKOVVGIV-UHFFFAOYSA-N 2 1 323.456 2.076 20 10 DECDMP CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655717246 1080013933 /nfs/dbraw/zinc/01/39/33/1080013933.db2.gz BLYIKGBRCOQJAI-QGZVFWFLSA-N 2 1 323.456 2.074 20 10 DECDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1Cl ZINC001275217568 1091620121 /nfs/dbraw/zinc/62/01/21/1091620121.db2.gz UDJQBVHMSHKJGV-HOTGVXAUSA-N 2 1 323.868 2.256 20 10 DECDMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236245348 1138343727 /nfs/dbraw/zinc/34/37/27/1138343727.db2.gz NWGIPTRCEUTNKA-OAHLLOKOSA-N 2 1 301.434 2.014 20 10 DECDMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236245348 1138343729 /nfs/dbraw/zinc/34/37/29/1138343729.db2.gz NWGIPTRCEUTNKA-OAHLLOKOSA-N 2 1 301.434 2.014 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391200 1142867968 /nfs/dbraw/zinc/86/79/68/1142867968.db2.gz HINJCEKMOQXECU-GOSISDBHSA-N 2 1 319.493 2.468 20 10 DECDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391200 1142867969 /nfs/dbraw/zinc/86/79/69/1142867969.db2.gz HINJCEKMOQXECU-GOSISDBHSA-N 2 1 319.493 2.468 20 10 DECDMP C[C@@H]1COCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324746503 1147839299 /nfs/dbraw/zinc/83/92/99/1147839299.db2.gz MRIBIPSKYLLIEQ-OAHLLOKOSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@@H]1COCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324746503 1147839303 /nfs/dbraw/zinc/83/93/03/1147839303.db2.gz MRIBIPSKYLLIEQ-OAHLLOKOSA-N 2 1 321.440 2.188 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000273551175 130134636 /nfs/dbraw/zinc/13/46/36/130134636.db2.gz FZEOJMIEUUMBNJ-DYEKYZERSA-N 2 1 318.417 2.455 20 10 DECDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151064254 402013714 /nfs/dbraw/zinc/01/37/14/402013714.db2.gz HEFOAAPBRXKJCQ-GPMSIDNRSA-N 2 1 317.477 2.342 20 10 DECDMP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185013811 402316762 /nfs/dbraw/zinc/31/67/62/402316762.db2.gz URMFOLXUGSXQAV-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP CCOc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000277609763 403236475 /nfs/dbraw/zinc/23/64/75/403236475.db2.gz APCBRTXCMLVWDB-OAHLLOKOSA-N 2 1 322.449 2.381 20 10 DECDMP CCOc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000277609763 403236477 /nfs/dbraw/zinc/23/64/77/403236477.db2.gz APCBRTXCMLVWDB-OAHLLOKOSA-N 2 1 322.449 2.381 20 10 DECDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000128300385 287025244 /nfs/dbraw/zinc/02/52/44/287025244.db2.gz KRGBSEDOAIGDAR-QGZVFWFLSA-N 2 1 318.509 2.431 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000160281091 522776732 /nfs/dbraw/zinc/77/67/32/522776732.db2.gz GJFKDWLTTTUTFK-CQSZACIVSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000160281091 522776747 /nfs/dbraw/zinc/77/67/47/522776747.db2.gz GJFKDWLTTTUTFK-CQSZACIVSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000160144602 622563918 /nfs/dbraw/zinc/56/39/18/622563918.db2.gz COHZZDPMNYSBOJ-UHFFFAOYSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922220830 636009888 /nfs/dbraw/zinc/00/98/88/636009888.db2.gz CMJUAUVCBZNJNT-KRWDZBQOSA-N 2 1 306.450 2.194 20 10 DECDMP Cc1cc(O)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C ZINC000742370371 638064707 /nfs/dbraw/zinc/06/47/07/638064707.db2.gz OLTZSONPXRHIEE-UHFFFAOYSA-N 2 1 305.466 2.126 20 10 DECDMP C[NH2+]CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841041076 650411843 /nfs/dbraw/zinc/41/18/43/650411843.db2.gz BYENSGDHMLSJJO-UHFFFAOYSA-N 2 1 306.410 2.284 20 10 DECDMP CN1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841073367 650423016 /nfs/dbraw/zinc/42/30/16/650423016.db2.gz RXZZBVCRYAOEGE-GOSISDBHSA-N 2 1 316.493 2.060 20 10 DECDMP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)N1CC[NH+](C)CC1 ZINC000841746658 640492931 /nfs/dbraw/zinc/49/29/31/640492931.db2.gz JVNCUTNDKVIFQM-OLZOCXBDSA-N 2 1 311.857 2.332 20 10 DECDMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000841004128 640569043 /nfs/dbraw/zinc/56/90/43/640569043.db2.gz MOFSNAPFGONOJZ-WMZOPIPTSA-N 2 1 317.477 2.343 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cscn3)cc2)CC1 ZINC000771819731 641554752 /nfs/dbraw/zinc/55/47/52/641554752.db2.gz VFSYWTCXKIBGSL-UHFFFAOYSA-N 2 1 302.447 2.185 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775648768 642072026 /nfs/dbraw/zinc/07/20/26/642072026.db2.gz WVPLVLDLLPXIMN-SFHVURJKSA-N 2 1 303.450 2.049 20 10 DECDMP CO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775656202 642074388 /nfs/dbraw/zinc/07/43/88/642074388.db2.gz BSTMOHXVVPZSLV-SFHVURJKSA-N 2 1 303.450 2.049 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000775735930 642087911 /nfs/dbraw/zinc/08/79/11/642087911.db2.gz GKFHMGSCSJTXKZ-MJGOQNOKSA-N 2 1 317.477 2.031 20 10 DECDMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809692947 646263994 /nfs/dbraw/zinc/26/39/94/646263994.db2.gz KNVZOXHQHJQODA-HDICACEKSA-N 2 1 303.450 2.048 20 10 DECDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000817866073 647369378 /nfs/dbraw/zinc/36/93/78/647369378.db2.gz VXJKTAGGOUZGRL-SCRDCRAPSA-N 2 1 308.422 2.215 20 10 DECDMP CCN1CCN(c2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000817902072 647377611 /nfs/dbraw/zinc/37/76/11/647377611.db2.gz HRUFYMAAMYDCQB-LSDHHAIUSA-N 2 1 322.472 2.183 20 10 DECDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817958921 647393894 /nfs/dbraw/zinc/39/38/94/647393894.db2.gz MTYASBDPIPHAKS-CJNGLKHVSA-N 2 1 309.429 2.296 20 10 DECDMP COc1c(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901144 651180683 /nfs/dbraw/zinc/18/06/83/651180683.db2.gz FLDSJNHNLJGQLT-WCQYABFASA-N 2 1 323.393 2.258 20 10 DECDMP COc1c(O)c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901144 651180686 /nfs/dbraw/zinc/18/06/86/651180686.db2.gz FLDSJNHNLJGQLT-WCQYABFASA-N 2 1 323.393 2.258 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000844902297 651180938 /nfs/dbraw/zinc/18/09/38/651180938.db2.gz PALOPAKRFDGCCH-HOTGVXAUSA-N 2 1 305.466 2.451 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 ZINC000846045180 651304216 /nfs/dbraw/zinc/30/42/16/651304216.db2.gz VNMZSQHCSLIYBF-APWZRJJASA-N 2 1 317.477 2.438 20 10 DECDMP CCN(C)c1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707927 652442698 /nfs/dbraw/zinc/44/26/98/652442698.db2.gz LQJNZWHLUUWTQN-IBGZPJMESA-N 2 1 317.477 2.174 20 10 DECDMP CCN(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707927 652442699 /nfs/dbraw/zinc/44/26/99/652442699.db2.gz LQJNZWHLUUWTQN-IBGZPJMESA-N 2 1 317.477 2.174 20 10 DECDMP CCN(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707927 652442700 /nfs/dbraw/zinc/44/27/00/652442700.db2.gz LQJNZWHLUUWTQN-IBGZPJMESA-N 2 1 317.477 2.174 20 10 DECDMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113336934 684062176 /nfs/dbraw/zinc/06/21/76/684062176.db2.gz ANZSPUNSZGFXRV-UHFFFAOYSA-N 2 1 311.857 2.163 20 10 DECDMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Cn1cccn1 ZINC000873100038 689159361 /nfs/dbraw/zinc/15/93/61/689159361.db2.gz VVZXHDRYJJKAES-UHFFFAOYSA-N 2 1 314.433 2.125 20 10 DECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873227137 689189000 /nfs/dbraw/zinc/18/90/00/689189000.db2.gz HJEZFTZFWFHDMF-YPMHNXCESA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873227137 689189002 /nfs/dbraw/zinc/18/90/02/689189002.db2.gz HJEZFTZFWFHDMF-YPMHNXCESA-N 2 1 318.339 2.360 20 10 DECDMP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)[nH+]1 ZINC000882880309 691377566 /nfs/dbraw/zinc/37/75/66/691377566.db2.gz MATGFZQXCMNFGP-UHFFFAOYSA-N 2 1 311.433 2.457 20 10 DECDMP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886500207 692094342 /nfs/dbraw/zinc/09/43/42/692094342.db2.gz KWOPMQKZPYIIIL-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP CCC[C@@H](CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331955285 1149800161 /nfs/dbraw/zinc/80/01/61/1149800161.db2.gz UHKIIRDGJYXUDC-INIZCTEOSA-N 2 1 323.456 2.218 20 10 DECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001169081605 785035769 /nfs/dbraw/zinc/03/57/69/785035769.db2.gz UHDPOGLCPRIYCJ-LUPIEILUSA-N 2 1 315.461 2.238 20 10 DECDMP CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139412790 796372772 /nfs/dbraw/zinc/37/27/72/796372772.db2.gz NZASLMJZACNDCO-OALUTQOASA-N 2 1 315.461 2.192 20 10 DECDMP C[NH+](C)CCCN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465353 796526123 /nfs/dbraw/zinc/52/61/23/796526123.db2.gz KDXXXVSARJAAOY-UHFFFAOYSA-N 2 1 311.857 2.115 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC001140855887 796583801 /nfs/dbraw/zinc/58/38/01/796583801.db2.gz NCPJCHHYRHVVDR-IYBDPMFKSA-N 2 1 303.450 2.232 20 10 DECDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001140855887 796583808 /nfs/dbraw/zinc/58/38/08/796583808.db2.gz NCPJCHHYRHVVDR-IYBDPMFKSA-N 2 1 303.450 2.232 20 10 DECDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001140855887 796583813 /nfs/dbraw/zinc/58/38/13/796583813.db2.gz NCPJCHHYRHVVDR-IYBDPMFKSA-N 2 1 303.450 2.232 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@H]1C[NH3+] ZINC001205996762 800455718 /nfs/dbraw/zinc/45/57/18/800455718.db2.gz YEGOSICMLZMLTG-WMZOPIPTSA-N 2 1 317.477 2.330 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@H]1C[NH3+] ZINC001206003873 800456386 /nfs/dbraw/zinc/45/63/86/800456386.db2.gz NCWMAPOREUFOKE-ZBFHGGJFSA-N 2 1 303.450 2.322 20 10 DECDMP CCOCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001656081784 1080036462 /nfs/dbraw/zinc/03/64/62/1080036462.db2.gz NHENPRBKFXWIDG-UHFFFAOYSA-N 2 1 323.456 2.484 20 10 DECDMP CCCC[N@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657178001 1080163376 /nfs/dbraw/zinc/16/33/76/1080163376.db2.gz OTEGDJXLMHRYOE-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP CCCC[N@@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657178001 1080163380 /nfs/dbraw/zinc/16/33/80/1080163380.db2.gz OTEGDJXLMHRYOE-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(C)c1 ZINC001246935053 1141137462 /nfs/dbraw/zinc/13/74/62/1141137462.db2.gz QBPICLZIQPCLLP-SJPCQFCGSA-N 2 1 315.461 2.409 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[N@@H+](C)CC3)cc2)CC1 ZINC001254500783 1143150464 /nfs/dbraw/zinc/15/04/64/1143150464.db2.gz KTFJCMDDMDNZFY-SFHVURJKSA-N 3 1 316.493 2.012 20 10 DECDMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324976483 1147863758 /nfs/dbraw/zinc/86/37/58/1147863758.db2.gz RKYPBNDZBSJUHL-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000378371938 533483384 /nfs/dbraw/zinc/48/33/84/533483384.db2.gz QOHZDQKTHYMCEC-ZMSDIMECSA-N 2 1 320.433 2.084 20 10 DECDMP CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289496030 131390995 /nfs/dbraw/zinc/39/09/95/131390995.db2.gz ZNUNGHQGOYNQNY-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289496030 131390996 /nfs/dbraw/zinc/39/09/96/131390996.db2.gz ZNUNGHQGOYNQNY-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CCCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289496030 131390998 /nfs/dbraw/zinc/39/09/98/131390998.db2.gz ZNUNGHQGOYNQNY-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CCCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289496030 131390999 /nfs/dbraw/zinc/39/09/99/131390999.db2.gz ZNUNGHQGOYNQNY-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268801018 403114948 /nfs/dbraw/zinc/11/49/48/403114948.db2.gz BABMFRJQPZFCCN-CRAIPNDOSA-N 2 1 305.466 2.250 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000367752029 405143117 /nfs/dbraw/zinc/14/31/17/405143117.db2.gz FMMXFXXFEFHJCA-QGPMSJSTSA-N 2 1 320.433 2.084 20 10 DECDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160320112 520254600 /nfs/dbraw/zinc/25/46/00/520254600.db2.gz QYUIZKWBNDJPNW-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160320112 520254607 /nfs/dbraw/zinc/25/46/07/520254607.db2.gz QYUIZKWBNDJPNW-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160320112 520254613 /nfs/dbraw/zinc/25/46/13/520254613.db2.gz QYUIZKWBNDJPNW-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160320112 520254619 /nfs/dbraw/zinc/25/46/19/520254619.db2.gz QYUIZKWBNDJPNW-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784185 /nfs/dbraw/zinc/78/41/85/624784185.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784186 /nfs/dbraw/zinc/78/41/86/624784186.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784187 /nfs/dbraw/zinc/78/41/87/624784187.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784189 /nfs/dbraw/zinc/78/41/89/624784189.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 2 1 308.422 2.324 20 10 DECDMP CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895928975 638270847 /nfs/dbraw/zinc/27/08/47/638270847.db2.gz WREKOUOBBVWKOV-APWZRJJASA-N 2 1 317.477 2.438 20 10 DECDMP CCO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000897068890 639156313 /nfs/dbraw/zinc/15/63/13/639156313.db2.gz OFGIIIBWHLASKZ-SFHVURJKSA-N 2 1 303.450 2.049 20 10 DECDMP Cc1cc(C)c(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000754732552 639466057 /nfs/dbraw/zinc/46/60/57/639466057.db2.gz OQRKEWGMGIWNRE-GOSISDBHSA-N 2 1 317.477 2.221 20 10 DECDMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000841046004 641481082 /nfs/dbraw/zinc/48/10/82/641481082.db2.gz UFXHLQHKDLYDOH-QGTPRVQTSA-N 2 1 304.482 2.072 20 10 DECDMP CCCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775639315 642070356 /nfs/dbraw/zinc/07/03/56/642070356.db2.gz SYNSCPDJILRVKA-UHFFFAOYSA-N 2 1 305.466 2.033 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCO1 ZINC000775650004 642072898 /nfs/dbraw/zinc/07/28/98/642072898.db2.gz WKCNWBPCYDPNEH-SFHVURJKSA-N 2 1 303.450 2.049 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1F ZINC000903740267 643450589 /nfs/dbraw/zinc/45/05/89/643450589.db2.gz FJMIDSLUOLHIOE-OAHLLOKOSA-N 2 1 321.440 2.346 20 10 DECDMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804221 643468467 /nfs/dbraw/zinc/46/84/67/643468467.db2.gz BBHNMPAOUNIKFC-PKOBYXMFSA-N 2 1 315.461 2.227 20 10 DECDMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804221 643468470 /nfs/dbraw/zinc/46/84/70/643468470.db2.gz BBHNMPAOUNIKFC-PKOBYXMFSA-N 2 1 315.461 2.227 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCO2 ZINC000843045499 650876167 /nfs/dbraw/zinc/87/61/67/650876167.db2.gz SMSOCVMLLIJXJY-OCCSQVGLSA-N 2 1 304.390 2.085 20 10 DECDMP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1c[nH+]ccc1N ZINC000817894211 647373878 /nfs/dbraw/zinc/37/38/78/647373878.db2.gz KWNIDZHJOUDMBX-AWEZNQCLSA-N 2 1 312.417 2.182 20 10 DECDMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1O ZINC000817983627 647400744 /nfs/dbraw/zinc/40/07/44/647400744.db2.gz OYBYIBRWWCQAFR-JEYLPNPQSA-N 2 1 321.440 2.398 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000817987583 647401665 /nfs/dbraw/zinc/40/16/65/647401665.db2.gz UMSAYHVSBPIQHG-PMOUVXMZSA-N 2 1 318.417 2.218 20 10 DECDMP CCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000827549536 649049737 /nfs/dbraw/zinc/04/97/37/649049737.db2.gz NDRJQBSBXWNHAR-KRWDZBQOSA-N 2 1 304.434 2.298 20 10 DECDMP CCc1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000827885225 649099519 /nfs/dbraw/zinc/09/95/19/649099519.db2.gz UNASLNVKABFCCO-UHFFFAOYSA-N 2 1 300.406 2.010 20 10 DECDMP COc1ccc(N(C)CC[N@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000844400347 651122661 /nfs/dbraw/zinc/12/26/61/651122661.db2.gz AKXWYUCFXIYAJU-UHFFFAOYSA-N 2 1 302.422 2.268 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000844400347 651122663 /nfs/dbraw/zinc/12/26/63/651122663.db2.gz AKXWYUCFXIYAJU-UHFFFAOYSA-N 2 1 302.422 2.268 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000850347712 651905716 /nfs/dbraw/zinc/90/57/16/651905716.db2.gz WLXFQKGKMKVLAM-RYRKJORJSA-N 2 1 315.461 2.490 20 10 DECDMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(O)c1 ZINC000873227230 689188910 /nfs/dbraw/zinc/18/89/10/689188910.db2.gz IFVBFVDTHSHEGF-DGCLKSJQSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(O)c1 ZINC000873227230 689188912 /nfs/dbraw/zinc/18/89/12/689188912.db2.gz IFVBFVDTHSHEGF-DGCLKSJQSA-N 2 1 318.339 2.360 20 10 DECDMP COCC(C)(C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117722843 795099637 /nfs/dbraw/zinc/09/96/37/795099637.db2.gz KEPPSQJYWOJQNY-UHFFFAOYSA-N 2 1 323.456 2.434 20 10 DECDMP COCC(C)(C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117722843 795099644 /nfs/dbraw/zinc/09/96/44/795099644.db2.gz KEPPSQJYWOJQNY-UHFFFAOYSA-N 2 1 323.456 2.434 20 10 DECDMP COc1cc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139254340 796349677 /nfs/dbraw/zinc/34/96/77/796349677.db2.gz HHOUYIZTQWMDKQ-UONOGXRCSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[NH+]2CC3(C2)CCOCC3)cc(C[NH+](C)C)c1O ZINC001139256687 796349728 /nfs/dbraw/zinc/34/97/28/796349728.db2.gz HFKPCDPJXJIORM-UHFFFAOYSA-N 2 1 320.433 2.075 20 10 DECDMP CCCO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139409989 796372824 /nfs/dbraw/zinc/37/28/24/796372824.db2.gz ZGMOJVPWRHWQSN-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)ccc1O ZINC001140621092 796546866 /nfs/dbraw/zinc/54/68/66/796546866.db2.gz OKFGGAJUBFDKDK-UHFFFAOYSA-N 2 1 308.422 2.017 20 10 DECDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001205102863 800297118 /nfs/dbraw/zinc/29/71/18/800297118.db2.gz VJVCDNQSFQXTTC-MRXNPFEDSA-N 2 1 315.461 2.404 20 10 DECDMP Cc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205151464 800306643 /nfs/dbraw/zinc/30/66/43/800306643.db2.gz UVMGSHQRQBKQJH-CMPLNLGQSA-N 2 1 313.239 2.490 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001205247836 800330706 /nfs/dbraw/zinc/33/07/06/800330706.db2.gz KBDAVZVTQBTCMY-CQSZACIVSA-N 2 1 318.339 2.087 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618332 800388230 /nfs/dbraw/zinc/38/82/30/800388230.db2.gz UUETVUMSCZQRTR-SJLPKXTDSA-N 2 1 317.477 2.330 20 10 DECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001205725815 800408564 /nfs/dbraw/zinc/40/85/64/800408564.db2.gz LOKBTVHWSDXADG-GOSISDBHSA-N 2 1 300.402 2.221 20 10 DECDMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001473929708 1060771566 /nfs/dbraw/zinc/77/15/66/1060771566.db2.gz FYVWFUUVVINQQN-UHFFFAOYSA-N 2 1 305.466 2.345 20 10 DECDMP CC[C@@H](C)[N@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657056418 1080150919 /nfs/dbraw/zinc/15/09/19/1080150919.db2.gz CQGCWDZLQCEJFC-QGZVFWFLSA-N 2 1 318.509 2.258 20 10 DECDMP CC[C@@H](C)[N@@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657056418 1080150924 /nfs/dbraw/zinc/15/09/24/1080150924.db2.gz CQGCWDZLQCEJFC-QGZVFWFLSA-N 2 1 318.509 2.258 20 10 DECDMP CSC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657249427 1080167135 /nfs/dbraw/zinc/16/71/35/1080167135.db2.gz NWJVGRBWJHQHFJ-ZDUSSCGKSA-N 2 1 311.470 2.419 20 10 DECDMP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001657624110 1080180463 /nfs/dbraw/zinc/18/04/63/1080180463.db2.gz BFZFPUHWAVYPJB-QGZVFWFLSA-N 2 1 321.440 2.092 20 10 DECDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c(Cl)cc1O ZINC001236080901 1084608772 /nfs/dbraw/zinc/60/87/72/1084608772.db2.gz HVEFHXXZFZRYGR-UHFFFAOYSA-N 2 1 318.248 2.036 20 10 DECDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c(Cl)cc1O ZINC001236080901 1084608777 /nfs/dbraw/zinc/60/87/77/1084608777.db2.gz HVEFHXXZFZRYGR-UHFFFAOYSA-N 2 1 318.248 2.036 20 10 DECDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@H]2C1 ZINC001237683183 1138754908 /nfs/dbraw/zinc/75/49/08/1138754908.db2.gz FQFDAXVCYZHBLS-HUUCEWRRSA-N 2 1 320.433 2.183 20 10 DECDMP COCCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323889474 1141896794 /nfs/dbraw/zinc/89/67/94/1141896794.db2.gz NCJZTSJJKUBELM-UHFFFAOYSA-N 2 1 323.456 2.482 20 10 DECDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253213146 1142855046 /nfs/dbraw/zinc/85/50/46/1142855046.db2.gz LPVASSBOUQWDIX-KRWDZBQOSA-N 2 1 302.418 2.338 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCSC3)cc2F)CC1 ZINC001339604450 1143062745 /nfs/dbraw/zinc/06/27/45/1143062745.db2.gz NPMKVPUNMQEJCA-CQSZACIVSA-N 2 1 309.454 2.173 20 10 DECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303911 130105517 /nfs/dbraw/zinc/10/55/17/130105517.db2.gz CGPJAMAWEINYSQ-OLZOCXBDSA-N 2 1 306.406 2.171 20 10 DECDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277625515 403238719 /nfs/dbraw/zinc/23/87/19/403238719.db2.gz BURHXNCHGFAYMW-MRXNPFEDSA-N 2 1 305.466 2.343 20 10 DECDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784093 /nfs/dbraw/zinc/78/40/93/624784093.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784094 /nfs/dbraw/zinc/78/40/94/624784094.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784096 /nfs/dbraw/zinc/78/40/96/624784096.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784098 /nfs/dbraw/zinc/78/40/98/624784098.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 2 1 308.422 2.324 20 10 DECDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1(C)C ZINC000922099440 635864636 /nfs/dbraw/zinc/86/46/36/635864636.db2.gz PEUDQRAMHJCVOS-UHFFFAOYSA-N 2 1 317.477 2.127 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000320040952 637527584 /nfs/dbraw/zinc/52/75/84/637527584.db2.gz KMGBZWVOBOPIKZ-RTBURBONSA-N 2 1 315.461 2.240 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000320040952 637527588 /nfs/dbraw/zinc/52/75/88/637527588.db2.gz KMGBZWVOBOPIKZ-RTBURBONSA-N 2 1 315.461 2.240 20 10 DECDMP C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000754157149 639395267 /nfs/dbraw/zinc/39/52/67/639395267.db2.gz ZNIANEQHSVLBOR-INIZCTEOSA-N 2 1 317.477 2.438 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000771839956 641558497 /nfs/dbraw/zinc/55/84/97/641558497.db2.gz ACPXLWIJNUSKSF-SJLPKXTDSA-N 3 1 316.493 2.011 20 10 DECDMP CC[NH+]1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000775012353 641994029 /nfs/dbraw/zinc/99/40/29/641994029.db2.gz GXARDAOUQJUBIN-UHFFFAOYSA-N 2 1 323.393 2.131 20 10 DECDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467643 642269062 /nfs/dbraw/zinc/26/90/62/642269062.db2.gz MFSQCWKOQMOZND-LPHOPBHVSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467643 642269066 /nfs/dbraw/zinc/26/90/66/642269066.db2.gz MFSQCWKOQMOZND-LPHOPBHVSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467643 642269071 /nfs/dbraw/zinc/26/90/71/642269071.db2.gz MFSQCWKOQMOZND-LPHOPBHVSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467643 642269074 /nfs/dbraw/zinc/26/90/74/642269074.db2.gz MFSQCWKOQMOZND-LPHOPBHVSA-N 2 1 317.477 2.295 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053170 650878527 /nfs/dbraw/zinc/87/85/27/650878527.db2.gz IVWVPERRVQDGKQ-AEFFLSMTSA-N 2 1 303.450 2.082 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)CC3)cc2)CC1 ZINC000793249597 644215350 /nfs/dbraw/zinc/21/53/50/644215350.db2.gz GFRIHAAJWHNUCB-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000843432554 650974311 /nfs/dbraw/zinc/97/43/11/650974311.db2.gz YGDVLDKJDPCCJD-UHFFFAOYSA-N 2 1 321.440 2.188 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000843432554 650974313 /nfs/dbraw/zinc/97/43/13/650974313.db2.gz YGDVLDKJDPCCJD-UHFFFAOYSA-N 2 1 321.440 2.188 20 10 DECDMP CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810173073 646334108 /nfs/dbraw/zinc/33/41/08/646334108.db2.gz WGLYXSUISRVXST-QGZVFWFLSA-N 2 1 318.509 2.257 20 10 DECDMP CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810173073 646334112 /nfs/dbraw/zinc/33/41/12/646334112.db2.gz WGLYXSUISRVXST-QGZVFWFLSA-N 2 1 318.509 2.257 20 10 DECDMP C[C@@H]1CC2(C[N@H+]1Cc1cc3c(cc1O)OCO3)CC[NH2+]CC2 ZINC000818431988 647464667 /nfs/dbraw/zinc/46/46/67/647464667.db2.gz ZRXFFDGLEKGQPU-GFCCVEGCSA-N 2 1 304.390 2.085 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000844900983 651180651 /nfs/dbraw/zinc/18/06/51/651180651.db2.gz CRGCQXNMGZVEJN-DHSIGJKJSA-N 2 1 320.433 2.119 20 10 DECDMP COc1c(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901143 651180707 /nfs/dbraw/zinc/18/07/07/651180707.db2.gz FLDSJNHNLJGQLT-DGCLKSJQSA-N 2 1 323.393 2.258 20 10 DECDMP COc1c(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901143 651180708 /nfs/dbraw/zinc/18/07/08/651180708.db2.gz FLDSJNHNLJGQLT-DGCLKSJQSA-N 2 1 323.393 2.258 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])C1 ZINC000844912780 651182666 /nfs/dbraw/zinc/18/26/66/651182666.db2.gz XFWYHOUKKQGAEM-FVQBIDKESA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2O)C1 ZINC000844912780 651182667 /nfs/dbraw/zinc/18/26/67/651182667.db2.gz XFWYHOUKKQGAEM-FVQBIDKESA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2O)C1 ZINC000844912780 651182668 /nfs/dbraw/zinc/18/26/68/651182668.db2.gz XFWYHOUKKQGAEM-FVQBIDKESA-N 2 1 308.397 2.392 20 10 DECDMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846222680 651316263 /nfs/dbraw/zinc/31/62/63/651316263.db2.gz XMHCVTAQWOPPRM-SFHVURJKSA-N 2 1 305.466 2.079 20 10 DECDMP Cc1cc(O)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000850396977 651920469 /nfs/dbraw/zinc/92/04/69/651920469.db2.gz RQJHVGLAIBXXJE-KRWDZBQOSA-N 2 1 304.434 2.352 20 10 DECDMP CCN(C)c1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852707928 652442467 /nfs/dbraw/zinc/44/24/67/652442467.db2.gz LQJNZWHLUUWTQN-LJQANCHMSA-N 2 1 317.477 2.174 20 10 DECDMP CCN(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852707928 652442469 /nfs/dbraw/zinc/44/24/69/652442469.db2.gz LQJNZWHLUUWTQN-LJQANCHMSA-N 2 1 317.477 2.174 20 10 DECDMP CCN(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852707928 652442472 /nfs/dbraw/zinc/44/24/72/652442472.db2.gz LQJNZWHLUUWTQN-LJQANCHMSA-N 2 1 317.477 2.174 20 10 DECDMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218180 652659408 /nfs/dbraw/zinc/65/94/08/652659408.db2.gz TTYZWKSDIAHCJK-JLSDUUJJSA-N 2 1 303.450 2.394 20 10 DECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227136 689188477 /nfs/dbraw/zinc/18/84/77/689188477.db2.gz HJEZFTZFWFHDMF-WCQYABFASA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227136 689188479 /nfs/dbraw/zinc/18/84/79/689188479.db2.gz HJEZFTZFWFHDMF-WCQYABFASA-N 2 1 318.339 2.360 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925840250 693351122 /nfs/dbraw/zinc/35/11/22/693351122.db2.gz HJJCJAFWVCFQPJ-XHBKTUGNSA-N 2 1 318.417 2.362 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CCO1 ZINC001333866367 1150107453 /nfs/dbraw/zinc/10/74/53/1150107453.db2.gz DYXFRQJGYZYSNG-OAHLLOKOSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001333866367 1150107475 /nfs/dbraw/zinc/10/74/75/1150107475.db2.gz DYXFRQJGYZYSNG-OAHLLOKOSA-N 2 1 321.440 2.188 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c(OC)c1 ZINC001206325752 794891301 /nfs/dbraw/zinc/89/13/01/794891301.db2.gz IXTPWFZSIDZXNL-KRWDZBQOSA-N 2 1 308.422 2.360 20 10 DECDMP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117137718 795027735 /nfs/dbraw/zinc/02/77/35/795027735.db2.gz MPVMLAIDJBXFDS-XJKSGUPXSA-N 2 1 323.481 2.419 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253133 796348995 /nfs/dbraw/zinc/34/89/95/796348995.db2.gz MZANDNWOWFZIPG-CJNGLKHVSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@H+]2CC[C@H](OC(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258914 796349770 /nfs/dbraw/zinc/34/97/70/796349770.db2.gz AMFLWIZWJVFHKA-INIZCTEOSA-N 2 1 322.449 2.462 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259019 796351277 /nfs/dbraw/zinc/35/12/77/796351277.db2.gz DVDQQXXHDGIOFO-ZBFHGGJFSA-N 2 1 320.433 2.073 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205231087 800325651 /nfs/dbraw/zinc/32/56/51/800325651.db2.gz WNTDYXJWSNNWCI-SFHVURJKSA-N 2 1 306.450 2.365 20 10 DECDMP COc1cc(C)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205788530 800420880 /nfs/dbraw/zinc/42/08/80/800420880.db2.gz OWNNZMTYOJUZGH-LLVKDONJSA-N 2 1 300.349 2.125 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222511191 802698169 /nfs/dbraw/zinc/69/81/69/802698169.db2.gz SIFBEIJYVCCWSU-IRXDYDNUSA-N 2 1 317.477 2.216 20 10 DECDMP CCC[N@H+](CC)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001461265445 1058625194 /nfs/dbraw/zinc/62/51/94/1058625194.db2.gz FBLLPQJPTWNVBK-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP CCC[N@@H+](CC)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001461265445 1058625201 /nfs/dbraw/zinc/62/52/01/1058625201.db2.gz FBLLPQJPTWNVBK-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC(F)F ZINC001580133238 1067505062 /nfs/dbraw/zinc/50/50/62/1067505062.db2.gz WGJGEDKPOOQJTE-CYBMUJFWSA-N 2 1 315.433 2.312 20 10 DECDMP CC(C)OCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655954074 1080028295 /nfs/dbraw/zinc/02/82/95/1080028295.db2.gz RNBIHSXGFBWQIM-UHFFFAOYSA-N 2 1 323.456 2.482 20 10 DECDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001275267140 1091644709 /nfs/dbraw/zinc/64/47/09/1091644709.db2.gz KOKOCAYSKRWLQR-LJQANCHMSA-N 2 1 317.477 2.242 20 10 DECDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236320692 1138351159 /nfs/dbraw/zinc/35/11/59/1138351159.db2.gz AXSSDFPCHAUQCL-TXEJJXNPSA-N 2 1 310.825 2.486 20 10 DECDMP CC(C)c1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001237049344 1138489913 /nfs/dbraw/zinc/48/99/13/1138489913.db2.gz NKFCSYONBIYWKV-UHFFFAOYSA-N 2 1 305.466 2.195 20 10 DECDMP COCC[N@@H+](Cc1cc(F)cc(C)c1O)C1CCN(C)CC1 ZINC001238060423 1138819448 /nfs/dbraw/zinc/81/94/48/1138819448.db2.gz ATGDHOPGAUSIFL-UHFFFAOYSA-N 2 1 310.413 2.382 20 10 DECDMP COCCN(Cc1cc(F)cc(C)c1O)C1CC[NH+](C)CC1 ZINC001238060423 1138819449 /nfs/dbraw/zinc/81/94/49/1138819449.db2.gz ATGDHOPGAUSIFL-UHFFFAOYSA-N 2 1 310.413 2.382 20 10 DECDMP CCOc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246949837 1141169161 /nfs/dbraw/zinc/16/91/61/1141169161.db2.gz QSVSBLNDJROQAN-WBVHZDCISA-N 2 1 303.450 2.348 20 10 DECDMP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326375211 1148087917 /nfs/dbraw/zinc/08/79/17/1148087917.db2.gz GJQXFHUEKNTWBG-RHSMWYFYSA-N 2 1 321.440 2.092 20 10 DECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151064309 402013536 /nfs/dbraw/zinc/01/35/36/402013536.db2.gz HEFOAAPBRXKJCQ-JTDSTZFVSA-N 2 1 317.477 2.342 20 10 DECDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237676184 402418022 /nfs/dbraw/zinc/41/80/22/402418022.db2.gz UWCNARXBNLHPLK-CYBMUJFWSA-N 2 1 306.406 2.475 20 10 DECDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277625513 403238366 /nfs/dbraw/zinc/23/83/66/403238366.db2.gz BURHXNCHGFAYMW-INIZCTEOSA-N 2 1 305.466 2.343 20 10 DECDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297731284 275049843 /nfs/dbraw/zinc/04/98/43/275049843.db2.gz NPKKVOOLBQIUKP-HZPDHXFCSA-N 2 1 304.434 2.206 20 10 DECDMP COc1cc(O)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000182461935 522780499 /nfs/dbraw/zinc/78/04/99/522780499.db2.gz SPFYCCOTZLVQBJ-LBPRGKRZSA-N 2 1 319.405 2.340 20 10 DECDMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(O)c1OC ZINC000894621489 637136588 /nfs/dbraw/zinc/13/65/88/637136588.db2.gz ACEBTWCXEPADID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(O)c1OC ZINC000894621489 637136592 /nfs/dbraw/zinc/13/65/92/637136592.db2.gz ACEBTWCXEPADID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(O)c1OC ZINC000894621489 637136596 /nfs/dbraw/zinc/13/65/96/637136596.db2.gz ACEBTWCXEPADID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(O)c1OC ZINC000894621489 637136599 /nfs/dbraw/zinc/13/65/99/637136599.db2.gz ACEBTWCXEPADID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000841088536 650427658 /nfs/dbraw/zinc/42/76/58/650427658.db2.gz ZAJBADYMVLTNGW-HIFRSBDPSA-N 2 1 320.433 2.373 20 10 DECDMP COC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775689377 642080190 /nfs/dbraw/zinc/08/01/90/642080190.db2.gz DYLUHZBHTLBANP-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1 ZINC000788255221 643582676 /nfs/dbraw/zinc/58/26/76/643582676.db2.gz GJLYPXFYVAGILF-OAHLLOKOSA-N 2 1 314.433 2.150 20 10 DECDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1 ZINC000788255218 643582703 /nfs/dbraw/zinc/58/27/03/643582703.db2.gz GJLYPXFYVAGILF-HNNXBMFYSA-N 2 1 314.433 2.150 20 10 DECDMP CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843052707 650878611 /nfs/dbraw/zinc/87/86/11/650878611.db2.gz RRKKZGMAGZFEPE-DOTOQJQBSA-N 2 1 321.440 2.222 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843052707 650878613 /nfs/dbraw/zinc/87/86/13/650878613.db2.gz RRKKZGMAGZFEPE-DOTOQJQBSA-N 2 1 321.440 2.222 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC([NH3+])CC1 ZINC000843055836 650879504 /nfs/dbraw/zinc/87/95/04/650879504.db2.gz PWPOWHBPUCSCBE-UHFFFAOYSA-N 2 1 321.440 2.364 20 10 DECDMP Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000843116725 650898801 /nfs/dbraw/zinc/89/88/01/650898801.db2.gz UDBPIQDZWROJDV-WBVHZDCISA-N 2 1 304.434 2.373 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000843125059 650900878 /nfs/dbraw/zinc/90/08/78/650900878.db2.gz MPSYQWNOVBUUBI-UONOGXRCSA-N 2 1 320.433 2.231 20 10 DECDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817958923 647393479 /nfs/dbraw/zinc/39/34/79/647393479.db2.gz MTYASBDPIPHAKS-XJKSGUPXSA-N 2 1 309.429 2.296 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000817984915 647400694 /nfs/dbraw/zinc/40/06/94/647400694.db2.gz CAEIWXJLXVHABT-LBPRGKRZSA-N 2 1 304.390 2.139 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000844901397 651180625 /nfs/dbraw/zinc/18/06/25/651180625.db2.gz FAPFRDLZEUGROB-QILLFSRXSA-N 2 1 304.434 2.419 20 10 DECDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048332 651595173 /nfs/dbraw/zinc/59/51/73/651595173.db2.gz HOTOABBKCWWZFN-CYBMUJFWSA-N 2 1 310.829 2.144 20 10 DECDMP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863645703 686539348 /nfs/dbraw/zinc/53/93/48/686539348.db2.gz KVFNSTWJULFRKW-DGCLKSJQSA-N 2 1 318.339 2.360 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863645703 686539354 /nfs/dbraw/zinc/53/93/54/686539354.db2.gz KVFNSTWJULFRKW-DGCLKSJQSA-N 2 1 318.339 2.360 20 10 DECDMP CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001347201478 1151047953 /nfs/dbraw/zinc/04/79/53/1151047953.db2.gz SNWABETYSMGHNQ-IYBDPMFKSA-N 2 1 321.440 2.187 20 10 DECDMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001347201478 1151047956 /nfs/dbraw/zinc/04/79/56/1151047956.db2.gz SNWABETYSMGHNQ-IYBDPMFKSA-N 2 1 321.440 2.187 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139254125 796350368 /nfs/dbraw/zinc/35/03/68/796350368.db2.gz FBEXSQVPRWRNII-FZKQIMNGSA-N 2 1 322.449 2.055 20 10 DECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CO ZINC001139409026 796372153 /nfs/dbraw/zinc/37/21/53/796372153.db2.gz SHQWFVVMRUBPLV-LPHOPBHVSA-N 2 1 317.477 2.031 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC001205618330 800387934 /nfs/dbraw/zinc/38/79/34/800387934.db2.gz UUETVUMSCZQRTR-AEFFLSMTSA-N 2 1 317.477 2.330 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816273 800426584 /nfs/dbraw/zinc/42/65/84/800426584.db2.gz KYEJIMAZAMMOGY-CRAIPNDOSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816273 800426588 /nfs/dbraw/zinc/42/65/88/800426588.db2.gz KYEJIMAZAMMOGY-CRAIPNDOSA-N 2 1 303.450 2.082 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC001206027256 800460762 /nfs/dbraw/zinc/46/07/62/800460762.db2.gz VJPINNZJGOVOAG-QWHCGFSZSA-N 2 1 308.422 2.216 20 10 DECDMP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000316016726 802495840 /nfs/dbraw/zinc/49/58/40/802495840.db2.gz CAIHHDQHRPDSIB-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001331287472 1149411502 /nfs/dbraw/zinc/41/15/02/1149411502.db2.gz HZQZLJLNIUJJAR-WKILWMFISA-N 2 1 321.440 2.092 20 10 DECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001578663551 1067146281 /nfs/dbraw/zinc/14/62/81/1067146281.db2.gz DZWMJFCEPDENMV-KRWDZBQOSA-N 2 1 317.477 2.343 20 10 DECDMP Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001656946941 1080142485 /nfs/dbraw/zinc/14/24/85/1080142485.db2.gz FLRVKIMEAQBXMA-OAHLLOKOSA-N 2 1 301.434 2.033 20 10 DECDMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516960 1083477866 /nfs/dbraw/zinc/47/78/66/1083477866.db2.gz XLHAKVFYHKUHJH-QGZVFWFLSA-N 2 1 306.406 2.111 20 10 DECDMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516960 1083477870 /nfs/dbraw/zinc/47/78/70/1083477870.db2.gz XLHAKVFYHKUHJH-QGZVFWFLSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516960 1083477875 /nfs/dbraw/zinc/47/78/75/1083477875.db2.gz XLHAKVFYHKUHJH-QGZVFWFLSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516960 1083477878 /nfs/dbraw/zinc/47/78/78/1083477878.db2.gz XLHAKVFYHKUHJH-QGZVFWFLSA-N 2 1 306.406 2.111 20 10 DECDMP Cc1cc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235007471 1084272003 /nfs/dbraw/zinc/27/20/03/1084272003.db2.gz LNLNCLGETJVOAP-IBGZPJMESA-N 2 1 317.477 2.263 20 10 DECDMP Cc1cc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235007471 1084272014 /nfs/dbraw/zinc/27/20/14/1084272014.db2.gz LNLNCLGETJVOAP-IBGZPJMESA-N 2 1 317.477 2.263 20 10 DECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc2ccccc2cc1O ZINC001236834350 1138441953 /nfs/dbraw/zinc/44/19/53/1138441953.db2.gz WJKCWAPIWFVMCI-UHFFFAOYSA-N 2 1 313.445 2.225 20 10 DECDMP CCC[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318448164 1140333424 /nfs/dbraw/zinc/33/34/24/1140333424.db2.gz LKIAWRHRHWVWCP-SFHVURJKSA-N 2 1 323.456 2.218 20 10 DECDMP CCOC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320818875 1140937451 /nfs/dbraw/zinc/93/74/51/1140937451.db2.gz IMPYKLIVPNSFQT-UHFFFAOYSA-N 2 1 323.456 2.482 20 10 DECDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001253404464 1142869601 /nfs/dbraw/zinc/86/96/01/1142869601.db2.gz WRFRVBPIYLUPTG-KRWDZBQOSA-N 2 1 305.466 2.125 20 10 DECDMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325929199 1148020742 /nfs/dbraw/zinc/02/07/42/1148020742.db2.gz YFQMMPQJJFSONJ-ZIAGYGMSSA-N 2 1 309.429 2.091 20 10 DECDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268821628 403117355 /nfs/dbraw/zinc/11/73/55/403117355.db2.gz PJMVSAIACYVZLX-OAHLLOKOSA-N 2 1 314.433 2.379 20 10 DECDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000362239362 403938111 /nfs/dbraw/zinc/93/81/11/403938111.db2.gz RWYOFTOACBNJFM-KBPBESRZSA-N 2 1 306.406 2.126 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000367752031 405143004 /nfs/dbraw/zinc/14/30/04/405143004.db2.gz FMMXFXXFEFHJCA-UWWQBHOKSA-N 2 1 320.433 2.084 20 10 DECDMP Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000185366762 333207814 /nfs/dbraw/zinc/20/78/14/333207814.db2.gz MAKDJQOHUFLLLU-INIZCTEOSA-N 2 1 305.466 2.379 20 10 DECDMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367754801 524402611 /nfs/dbraw/zinc/40/26/11/524402611.db2.gz RDPXHSRCJRBROG-YESZJQIVSA-N 2 1 304.434 2.384 20 10 DECDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000841099347 650430746 /nfs/dbraw/zinc/43/07/46/650430746.db2.gz ILBVHYHWNCLJPP-NVXWUHKLSA-N 2 1 308.397 2.250 20 10 DECDMP CCC1([NH3+])CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000903946486 643525910 /nfs/dbraw/zinc/52/59/10/643525910.db2.gz SZTDUHZBQRTLKX-UHFFFAOYSA-N 2 1 316.493 2.142 20 10 DECDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051018 650877978 /nfs/dbraw/zinc/87/79/78/650877978.db2.gz DENGXNDNURXTNG-DOTOQJQBSA-N 2 1 303.450 2.082 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123664 650900473 /nfs/dbraw/zinc/90/04/73/650900473.db2.gz MSUMJCDKSMAIMO-LJQANCHMSA-N 2 1 315.461 2.099 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000817964418 647394918 /nfs/dbraw/zinc/39/49/18/647394918.db2.gz BZSXFOSCHROVPJ-GFCCVEGCSA-N 2 1 306.406 2.219 20 10 DECDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818431979 647464770 /nfs/dbraw/zinc/46/47/70/647464770.db2.gz YURNTAOVMQWUDK-HZPDHXFCSA-N 2 1 307.413 2.022 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827700835 649070750 /nfs/dbraw/zinc/07/07/50/649070750.db2.gz XWLSVLDAXJQSQI-LJQANCHMSA-N 2 1 317.477 2.092 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827700835 649070753 /nfs/dbraw/zinc/07/07/53/649070753.db2.gz XWLSVLDAXJQSQI-LJQANCHMSA-N 2 1 317.477 2.092 20 10 DECDMP Cc1cc(O)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000850396978 651920925 /nfs/dbraw/zinc/92/09/25/651920925.db2.gz RQJHVGLAIBXXJE-QGZVFWFLSA-N 2 1 304.434 2.352 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217677 652659064 /nfs/dbraw/zinc/65/90/64/652659064.db2.gz OPLGFWJTGFLPQW-HDMKZQKVSA-N 2 1 303.450 2.394 20 10 DECDMP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(C(F)(F)F)c1O ZINC000863544934 686519088 /nfs/dbraw/zinc/51/90/88/686519088.db2.gz FKPOJDCSWFRTDZ-SNVBAGLBSA-N 2 1 306.328 2.427 20 10 DECDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646404 686539003 /nfs/dbraw/zinc/53/90/03/686539003.db2.gz SERFQLMFWVXEKA-CMPLNLGQSA-N 2 1 306.303 2.490 20 10 DECDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646404 686539009 /nfs/dbraw/zinc/53/90/09/686539009.db2.gz SERFQLMFWVXEKA-CMPLNLGQSA-N 2 1 306.303 2.490 20 10 DECDMP OCC[NH2+]C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000873218185 689185880 /nfs/dbraw/zinc/18/58/80/689185880.db2.gz YXSDAVYRARDEPZ-UHFFFAOYSA-N 2 1 317.477 2.223 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873264418 689197411 /nfs/dbraw/zinc/19/74/11/689197411.db2.gz PDMYKPUSKMLXTB-VIRABCJISA-N 2 1 318.417 2.360 20 10 DECDMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000877525363 690140932 /nfs/dbraw/zinc/14/09/32/690140932.db2.gz AMHOYLNPBNXPLQ-GOSISDBHSA-N 2 1 317.477 2.301 20 10 DECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528410 690142675 /nfs/dbraw/zinc/14/26/75/690142675.db2.gz ZCBUTLQIFBRCRE-UHFFFAOYSA-N 2 1 319.493 2.421 20 10 DECDMP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886502938 692095227 /nfs/dbraw/zinc/09/52/27/692095227.db2.gz USDZFAJSQFQVAV-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP CCCO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139409988 796372393 /nfs/dbraw/zinc/37/23/93/796372393.db2.gz ZGMOJVPWRHWQSN-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001205220835 800321923 /nfs/dbraw/zinc/32/19/23/800321923.db2.gz MPYUTPCQXCNOKA-IBGZPJMESA-N 2 1 317.477 2.353 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205240707 800327647 /nfs/dbraw/zinc/32/76/47/800327647.db2.gz NPHZAXYFVAIRLP-GOSISDBHSA-N 2 1 306.450 2.365 20 10 DECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205688961 800403130 /nfs/dbraw/zinc/40/31/30/800403130.db2.gz MJOUWVPHBOGRLK-SFHVURJKSA-N 2 1 300.402 2.221 20 10 DECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)c1O ZINC001231592496 801692450 /nfs/dbraw/zinc/69/24/50/801692450.db2.gz IDMOGUUGIULJDW-UHFFFAOYSA-N 2 1 308.422 2.017 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222244014 802659851 /nfs/dbraw/zinc/65/98/51/802659851.db2.gz RVKFCSOTIFCUIX-LJQANCHMSA-N 2 1 315.461 2.241 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222244014 802659854 /nfs/dbraw/zinc/65/98/54/802659854.db2.gz RVKFCSOTIFCUIX-LJQANCHMSA-N 2 1 315.461 2.241 20 10 DECDMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)C1 ZINC001276516402 1083477838 /nfs/dbraw/zinc/47/78/38/1083477838.db2.gz AWQIUIMAWBHGEE-UHFFFAOYSA-N 2 1 306.406 2.111 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1OC ZINC001276790355 1083612256 /nfs/dbraw/zinc/61/22/56/1083612256.db2.gz RDCQTFPTMQRJRA-UHFFFAOYSA-N 2 1 320.433 2.327 20 10 DECDMP Cc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276169777 1091629972 /nfs/dbraw/zinc/62/99/72/1091629972.db2.gz WBYBXOGEWPQUFG-UHFFFAOYSA-N 2 1 317.477 2.160 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001276194066 1091677658 /nfs/dbraw/zinc/67/76/58/1091677658.db2.gz NOWBKKOBNOGBID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(OC)c1 ZINC001276194066 1091677661 /nfs/dbraw/zinc/67/76/61/1091677661.db2.gz NOWBKKOBNOGBID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1 ZINC001276194066 1091677667 /nfs/dbraw/zinc/67/76/67/1091677667.db2.gz NOWBKKOBNOGBID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1 ZINC001276194066 1091677671 /nfs/dbraw/zinc/67/76/71/1091677671.db2.gz NOWBKKOBNOGBID-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cn[nH]c1 ZINC001319732814 1140698083 /nfs/dbraw/zinc/69/80/83/1140698083.db2.gz KGVUOLBVCXPCIT-ZDUSSCGKSA-N 2 1 317.412 2.151 20 10 DECDMP CCOc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246949831 1141166265 /nfs/dbraw/zinc/16/62/65/1141166265.db2.gz QSVSBLNDJROQAN-DOTOQJQBSA-N 2 1 303.450 2.348 20 10 DECDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201271 1141859236 /nfs/dbraw/zinc/85/92/36/1141859236.db2.gz MKMYEPMBBQBTIO-UHFFFAOYSA-N 2 1 320.433 2.024 20 10 DECDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201271 1141859237 /nfs/dbraw/zinc/85/92/37/1141859237.db2.gz MKMYEPMBBQBTIO-UHFFFAOYSA-N 2 1 320.433 2.024 20 10 DECDMP C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)O1 ZINC001324849336 1147852943 /nfs/dbraw/zinc/85/29/43/1147852943.db2.gz RIHMMEMLEZNNDF-GDBMZVCRSA-N 2 1 321.440 2.235 20 10 DECDMP COCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001326807544 1148252105 /nfs/dbraw/zinc/25/21/05/1148252105.db2.gz POFLPSJLCKZWAJ-UHFFFAOYSA-N 2 1 321.440 2.094 20 10 DECDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282161477 299297685 /nfs/dbraw/zinc/29/76/85/299297685.db2.gz DJYHTCGLBNFJNU-INIZCTEOSA-N 2 1 318.509 2.429 20 10 DECDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268801020 403115153 /nfs/dbraw/zinc/11/51/53/403115153.db2.gz BABMFRJQPZFCCN-MAUKXSAKSA-N 2 1 305.466 2.250 20 10 DECDMP C[NH2+]CCc1ccccc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000422541653 277272867 /nfs/dbraw/zinc/27/28/67/277272867.db2.gz ORVUKTFSKFAGFX-UHFFFAOYSA-N 2 1 309.413 2.199 20 10 DECDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161448210 525292449 /nfs/dbraw/zinc/29/24/49/525292449.db2.gz AJCDUTKDAHXHBA-AWEZNQCLSA-N 2 1 321.440 2.407 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925794829 635363259 /nfs/dbraw/zinc/36/32/59/635363259.db2.gz FSQVFIDKXKPKAB-YRGRVCCFSA-N 2 1 306.406 2.075 20 10 DECDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841031864 650409491 /nfs/dbraw/zinc/40/94/91/650409491.db2.gz ZPFDSFSUARVKID-IEBWSBKVSA-N 2 1 316.493 2.046 20 10 DECDMP CCOc1ccc(O)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000841041029 650412057 /nfs/dbraw/zinc/41/20/57/650412057.db2.gz AQKUVPNROYZCKT-UHFFFAOYSA-N 2 1 315.417 2.455 20 10 DECDMP COc1ccc(O)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000841042693 650412677 /nfs/dbraw/zinc/41/26/77/650412677.db2.gz PUMJPOGUGXMELR-UHFFFAOYSA-N 2 1 301.390 2.065 20 10 DECDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787913 640459931 /nfs/dbraw/zinc/45/99/31/640459931.db2.gz OADRMJVFLFQBCG-APWZRJJASA-N 2 1 317.477 2.394 20 10 DECDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787913 640459935 /nfs/dbraw/zinc/45/99/35/640459935.db2.gz OADRMJVFLFQBCG-APWZRJJASA-N 2 1 317.477 2.394 20 10 DECDMP C[C@@H]1C[C@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000898447181 641665169 /nfs/dbraw/zinc/66/51/69/641665169.db2.gz GJHJVUHGEAEERR-SZVBFZGTSA-N 2 1 318.509 2.428 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCOC(C)(C)C3)cc2)CC1 ZINC000775710887 642083179 /nfs/dbraw/zinc/08/31/79/642083179.db2.gz OJNNIKBSBBSJLJ-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)cc2)CC1 ZINC000775728625 642086657 /nfs/dbraw/zinc/08/66/57/642086657.db2.gz ITSDCCDWMQESAT-LJQANCHMSA-N 2 1 315.461 2.051 20 10 DECDMP CN(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000843125633 650901344 /nfs/dbraw/zinc/90/13/44/650901344.db2.gz ZKGGOJADBLWMHV-OAHLLOKOSA-N 2 1 321.440 2.079 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000843125060 650901584 /nfs/dbraw/zinc/90/15/84/650901584.db2.gz MPSYQWNOVBUUBI-ZIAGYGMSSA-N 2 1 320.433 2.231 20 10 DECDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1O ZINC000843364069 650958195 /nfs/dbraw/zinc/95/81/95/650958195.db2.gz NTUADPNRHUGMLO-UHFFFAOYSA-N 2 1 306.381 2.309 20 10 DECDMP C[NH+](C)CCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809729933 646269575 /nfs/dbraw/zinc/26/95/75/646269575.db2.gz SZYXSIVLTXRHCM-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809729933 646269579 /nfs/dbraw/zinc/26/95/79/646269579.db2.gz SZYXSIVLTXRHCM-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000809935883 646301949 /nfs/dbraw/zinc/30/19/49/646301949.db2.gz NNBHKJDPUWYOCE-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000809935883 646301954 /nfs/dbraw/zinc/30/19/54/646301954.db2.gz NNBHKJDPUWYOCE-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000809935883 646301958 /nfs/dbraw/zinc/30/19/58/646301958.db2.gz NNBHKJDPUWYOCE-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000809935883 646301961 /nfs/dbraw/zinc/30/19/61/646301961.db2.gz NNBHKJDPUWYOCE-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP COc1c([O-])c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865067 647368676 /nfs/dbraw/zinc/36/86/76/647368676.db2.gz NWEWEIXIIKHAIE-LOWVWBTDSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865067 647368681 /nfs/dbraw/zinc/36/86/81/647368681.db2.gz NWEWEIXIIKHAIE-LOWVWBTDSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865067 647368685 /nfs/dbraw/zinc/36/86/85/647368685.db2.gz NWEWEIXIIKHAIE-LOWVWBTDSA-N 2 1 323.393 2.114 20 10 DECDMP Cc1[nH+]cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1C ZINC000825509774 648773260 /nfs/dbraw/zinc/77/32/60/648773260.db2.gz QOBRBXICAMPKSP-UHFFFAOYSA-N 2 1 302.422 2.305 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217678 652659088 /nfs/dbraw/zinc/65/90/88/652659088.db2.gz OPLGFWJTGFLPQW-IIDMSEBBSA-N 2 1 303.450 2.394 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1F ZINC000863482149 686507581 /nfs/dbraw/zinc/50/75/81/686507581.db2.gz VBMPROOKEAVWFV-UHFFFAOYSA-N 2 1 309.429 2.269 20 10 DECDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000873224259 689188199 /nfs/dbraw/zinc/18/81/99/689188199.db2.gz YPXZRBMXXPCWHT-QGZVFWFLSA-N 2 1 306.406 2.318 20 10 DECDMP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886504238 692095820 /nfs/dbraw/zinc/09/58/20/692095820.db2.gz XQMFAXGVQITEDZ-ZIAGYGMSSA-N 2 1 309.429 2.208 20 10 DECDMP COc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139256337 796350347 /nfs/dbraw/zinc/35/03/47/796350347.db2.gz YYGRIKVSAYVIAJ-WKILWMFISA-N 2 1 322.449 2.198 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](COC)C3)cc2)CC1 ZINC001140302089 796503001 /nfs/dbraw/zinc/50/30/01/796503001.db2.gz JPLZEJGYCVNCPL-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1OC ZINC001205578567 797314531 /nfs/dbraw/zinc/31/45/31/797314531.db2.gz FYEDPBMGDYNRDM-MRXNPFEDSA-N 2 1 312.385 2.062 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC[C@H]1C[NH3+] ZINC001205627215 800390511 /nfs/dbraw/zinc/39/05/11/800390511.db2.gz NYDLAGCVMSXSKC-HOCLYGCPSA-N 2 1 303.450 2.322 20 10 DECDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206554510 800553958 /nfs/dbraw/zinc/55/39/58/800553958.db2.gz DHGMHEVUJTVMMW-LJQANCHMSA-N 3 1 316.493 2.047 20 10 DECDMP Cc1cccc(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c1O ZINC001231594786 801692263 /nfs/dbraw/zinc/69/22/63/801692263.db2.gz PBOBQGQCHLWFAP-UHFFFAOYSA-N 2 1 317.477 2.160 20 10 DECDMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218458605 802186330 /nfs/dbraw/zinc/18/63/30/802186330.db2.gz ILINHQXQWSRLIK-HGKCTWBKSA-N 2 1 315.461 2.205 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOCC3)cc2F)CC1 ZINC001560418163 1075140018 /nfs/dbraw/zinc/14/00/18/1075140018.db2.gz VGWBLBKTCQQHQJ-INIZCTEOSA-N 2 1 321.440 2.236 20 10 DECDMP CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655597112 1080007999 /nfs/dbraw/zinc/00/79/99/1080007999.db2.gz KNHJHYQYLBJUHD-KSSFIOAISA-N 2 1 323.456 2.074 20 10 DECDMP C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655688264 1080011699 /nfs/dbraw/zinc/01/16/99/1080011699.db2.gz WEWJCHSYKLYQQY-HUUCEWRRSA-N 2 1 323.456 2.074 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c(O)c1 ZINC001236079336 1084606297 /nfs/dbraw/zinc/60/62/97/1084606297.db2.gz RLIOFYLFSLKXHM-KRWDZBQOSA-N 2 1 317.477 2.297 20 10 DECDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)[C@@H]2C1 ZINC001275217523 1091620667 /nfs/dbraw/zinc/62/06/67/1091620667.db2.gz RVOABFDBOLIPNR-XJKSGUPXSA-N 2 1 323.868 2.113 20 10 DECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275271527 1091646694 /nfs/dbraw/zinc/64/66/94/1091646694.db2.gz NOHFUAWPNGJXSK-CJNGLKHVSA-N 2 1 323.868 2.113 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)ccc21 ZINC001275419773 1091732540 /nfs/dbraw/zinc/73/25/40/1091732540.db2.gz PCXSDBLGILSUCY-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP CN1CCOc2cc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)ccc21 ZINC001275419773 1091732547 /nfs/dbraw/zinc/73/25/47/1091732547.db2.gz PCXSDBLGILSUCY-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP CN1CCOc2cc(C[NH+]3C[C@@H]4CC[N@H+](C)CC[C@@H]4C3)ccc21 ZINC001275419773 1091732552 /nfs/dbraw/zinc/73/25/52/1091732552.db2.gz PCXSDBLGILSUCY-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP Cc1ccc(C)n1-c1ccc(C[NH+]2CC(N3CC[NH2+]CC3)C2)cc1 ZINC001236161110 1138335518 /nfs/dbraw/zinc/33/55/18/1138335518.db2.gz XDWBRQGKAULEEA-UHFFFAOYSA-N 2 1 324.472 2.184 20 10 DECDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151064147 402013945 /nfs/dbraw/zinc/01/39/45/402013945.db2.gz HEFOAAPBRXKJCQ-MDZRGWNJSA-N 2 1 317.477 2.342 20 10 DECDMP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185345082 402346177 /nfs/dbraw/zinc/34/61/77/402346177.db2.gz BWASJZQMCQFWHE-GJZGRUSLSA-N 2 1 323.456 2.456 20 10 DECDMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185144871 402328120 /nfs/dbraw/zinc/32/81/20/402328120.db2.gz WTFAMCROHCXJPV-CYBMUJFWSA-N 2 1 308.422 2.162 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)ccc1O ZINC000374900208 227140116 /nfs/dbraw/zinc/14/01/16/227140116.db2.gz URKXKCGUFATGLA-HLLBOEOZSA-N 2 1 308.397 2.215 20 10 DECDMP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1O ZINC000185366794 333207780 /nfs/dbraw/zinc/20/77/80/333207780.db2.gz LVLCIVBALZTVFJ-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1O ZINC000185366794 333207782 /nfs/dbraw/zinc/20/77/82/333207782.db2.gz LVLCIVBALZTVFJ-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367754798 524404714 /nfs/dbraw/zinc/40/47/14/524404714.db2.gz RDPXHSRCJRBROG-BRWVUGGUSA-N 2 1 304.434 2.384 20 10 DECDMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(O)c1OC ZINC000892510718 625955504 /nfs/dbraw/zinc/95/55/04/625955504.db2.gz SBBIEDYHMAQLIM-LBPRGKRZSA-N 2 1 319.405 2.340 20 10 DECDMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC000841104068 636153423 /nfs/dbraw/zinc/15/34/23/636153423.db2.gz MYFDALYZQBWBIF-ZBFHGGJFSA-N 2 1 308.397 2.250 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413891 637166778 /nfs/dbraw/zinc/16/67/78/637166778.db2.gz JLGJSZPFXSXZJV-MJGOQNOKSA-N 2 1 315.461 2.097 20 10 DECDMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000762484812 640431442 /nfs/dbraw/zinc/43/14/42/640431442.db2.gz WJGDMSNNLCITHS-OAHLLOKOSA-N 2 1 322.449 2.381 20 10 DECDMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000762484812 640431447 /nfs/dbraw/zinc/43/14/47/640431447.db2.gz WJGDMSNNLCITHS-OAHLLOKOSA-N 2 1 322.449 2.381 20 10 DECDMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701994 642081081 /nfs/dbraw/zinc/08/10/81/642081081.db2.gz KHGXOADJCAOKEA-QFBILLFUSA-N 2 1 317.477 2.174 20 10 DECDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(F)ccc1O ZINC000809738538 646272147 /nfs/dbraw/zinc/27/21/47/646272147.db2.gz YRLDIVRDFHOZSC-QGZVFWFLSA-N 2 1 323.456 2.379 20 10 DECDMP CCN1CCN(c2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902069 647377184 /nfs/dbraw/zinc/37/71/84/647377184.db2.gz HRUFYMAAMYDCQB-CABCVRRESA-N 2 1 322.472 2.183 20 10 DECDMP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000817943005 647388997 /nfs/dbraw/zinc/38/89/97/647388997.db2.gz SMOKHZLRYOFGDF-WJFTUGDTSA-N 2 1 316.493 2.215 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000817946885 647390413 /nfs/dbraw/zinc/39/04/13/647390413.db2.gz HECILNILXWAZHR-OBJOEFQTSA-N 2 1 306.406 2.218 20 10 DECDMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1N(C)C ZINC000830652942 649474556 /nfs/dbraw/zinc/47/45/56/649474556.db2.gz RVUNWRGWMVNXCB-UHFFFAOYSA-N 2 1 317.477 2.358 20 10 DECDMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000844902153 651180569 /nfs/dbraw/zinc/18/05/69/651180569.db2.gz JTVVEGSIZIULLR-QRTARXTBSA-N 2 1 320.433 2.119 20 10 DECDMP Oc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357629 651910400 /nfs/dbraw/zinc/91/04/00/651910400.db2.gz QAZYGZUMSORLGS-GOSISDBHSA-N 2 1 312.413 2.249 20 10 DECDMP CCOc1ccc(O)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000850396644 651920368 /nfs/dbraw/zinc/92/03/68/651920368.db2.gz MLWCNGNPIPTNBV-MRXNPFEDSA-N 2 1 320.433 2.134 20 10 DECDMP COc1cc(C)cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000853623002 652580195 /nfs/dbraw/zinc/58/01/95/652580195.db2.gz CZDGRHVTOBYXKU-INIZCTEOSA-N 2 1 322.449 2.252 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)CC(C)(C)C3)cc2)CC1 ZINC000877751809 690215888 /nfs/dbraw/zinc/21/58/88/690215888.db2.gz KKWZCCGKXCTMCM-SFHVURJKSA-N 2 1 317.477 2.031 20 10 DECDMP Cc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c(O)c1 ZINC000925842573 693351317 /nfs/dbraw/zinc/35/13/17/693351317.db2.gz APOMOWZNHZDZGQ-MRXNPFEDSA-N 2 1 305.466 2.427 20 10 DECDMP CCc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC001177913020 794774221 /nfs/dbraw/zinc/77/42/21/794774221.db2.gz UBJNCIZBYNZBGF-UHFFFAOYSA-N 2 1 314.433 2.279 20 10 DECDMP COc1cc(C[N@H+](C)Cc2ccccn2)cc(C[NH+](C)C)c1O ZINC001139253053 796348701 /nfs/dbraw/zinc/34/87/01/796348701.db2.gz KAGQJDSFLLZCOZ-UHFFFAOYSA-N 2 1 315.417 2.489 20 10 DECDMP COc1cc(C[N@@H+](C)Cc2ccccn2)cc(C[NH+](C)C)c1O ZINC001139253053 796348705 /nfs/dbraw/zinc/34/87/05/796348705.db2.gz KAGQJDSFLLZCOZ-UHFFFAOYSA-N 2 1 315.417 2.489 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139258813 796349784 /nfs/dbraw/zinc/34/97/84/796349784.db2.gz XCPCVGYKDFGLQO-SFHVURJKSA-N 2 1 320.433 2.217 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258915 796350961 /nfs/dbraw/zinc/35/09/61/796350961.db2.gz AMFLWIZWJVFHKA-MRXNPFEDSA-N 2 1 322.449 2.462 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]43)cc2)CC1 ZINC001140302612 796503979 /nfs/dbraw/zinc/50/39/79/796503979.db2.gz VMMPTLDXCSVNIF-RTBURBONSA-N 2 1 315.461 2.192 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(O)c(OC)c1 ZINC001206028165 800460836 /nfs/dbraw/zinc/46/08/36/800460836.db2.gz XNGVXPXFQSBONV-CHWSQXEVSA-N 2 1 308.422 2.216 20 10 DECDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206624268 800566977 /nfs/dbraw/zinc/56/69/77/800566977.db2.gz SOWWQJHXIJBYDQ-OAHLLOKOSA-N 2 1 321.440 2.223 20 10 DECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c(O)ccc2ccccc21 ZINC001231590465 801690333 /nfs/dbraw/zinc/69/03/33/801690333.db2.gz CIRLDFBTRLXSOU-UHFFFAOYSA-N 2 1 313.445 2.225 20 10 DECDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)cc3OC)C[C@@H]2C1 ZINC001231854499 801738376 /nfs/dbraw/zinc/73/83/76/801738376.db2.gz BENFDHBTZBOASK-IYBDPMFKSA-N 2 1 303.450 2.145 20 10 DECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)cc3OC)C[C@@H]2C1 ZINC001231854499 801738379 /nfs/dbraw/zinc/73/83/79/801738379.db2.gz BENFDHBTZBOASK-IYBDPMFKSA-N 2 1 303.450 2.145 20 10 DECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3OC)C[C@@H]2C1 ZINC001231854499 801738385 /nfs/dbraw/zinc/73/83/85/801738385.db2.gz BENFDHBTZBOASK-IYBDPMFKSA-N 2 1 303.450 2.145 20 10 DECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3OC)C[C@@H]2C1 ZINC001231854499 801738390 /nfs/dbraw/zinc/73/83/90/801738390.db2.gz BENFDHBTZBOASK-IYBDPMFKSA-N 2 1 303.450 2.145 20 10 DECDMP c1ccc(C[NH+]2CC(Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001218043055 802136340 /nfs/dbraw/zinc/13/63/40/802136340.db2.gz VVLPTDKTSWDSBU-UHFFFAOYSA-N 2 1 323.440 2.359 20 10 DECDMP CC(C)C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461234241 1058617161 /nfs/dbraw/zinc/61/71/61/1058617161.db2.gz VIASUGQJLWZYBL-INIZCTEOSA-N 2 1 323.456 2.074 20 10 DECDMP COc1cc(C)c(C[N@H+]2C[C@@H](C)OC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001579145023 1067241899 /nfs/dbraw/zinc/24/18/99/1067241899.db2.gz SBHNHZOQCUJNJM-CQSZACIVSA-N 2 1 320.433 2.052 20 10 DECDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235054367 1084289786 /nfs/dbraw/zinc/28/97/86/1084289786.db2.gz WURRSKINRFSIJK-HXUWFJFHSA-N 2 1 324.472 2.231 20 10 DECDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235054367 1084289793 /nfs/dbraw/zinc/28/97/93/1084289793.db2.gz WURRSKINRFSIJK-HXUWFJFHSA-N 2 1 324.472 2.231 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1OC ZINC001236751733 1138408208 /nfs/dbraw/zinc/40/82/08/1138408208.db2.gz IHIPTKKTKCGBHQ-UHFFFAOYSA-N 2 1 320.433 2.327 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237390521 1138604236 /nfs/dbraw/zinc/60/42/36/1138604236.db2.gz IXCRLEMILJXEPW-MJGOQNOKSA-N 2 1 315.461 2.097 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2F)CC1 ZINC001323385295 1141848214 /nfs/dbraw/zinc/84/82/14/1141848214.db2.gz OYVUHHUVLBRAOR-UHFFFAOYSA-N 2 1 319.424 2.014 20 10 DECDMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1Cn1cccn1 ZINC000895290722 637894284 /nfs/dbraw/zinc/89/42/84/637894284.db2.gz SDCRLVGSPSOBTB-HNNXBMFYSA-N 2 1 316.449 2.370 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000775661611 642074574 /nfs/dbraw/zinc/07/45/74/642074574.db2.gz ONRGMTHWTOBKLJ-VQIMIIECSA-N 2 1 317.477 2.438 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC3(C)C)cc2)CC1 ZINC000775663324 642075852 /nfs/dbraw/zinc/07/58/52/642075852.db2.gz MEWKATXMXLRNDJ-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP CC[C@@]1(C)COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775980406 642119232 /nfs/dbraw/zinc/11/92/32/642119232.db2.gz GINFJIBHGTZAAW-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP Cc1cc(O)c(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000903972749 643530679 /nfs/dbraw/zinc/53/06/79/643530679.db2.gz KZVFBZJNKBFWCT-MRXNPFEDSA-N 2 1 304.434 2.257 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843117845 650899046 /nfs/dbraw/zinc/89/90/46/650899046.db2.gz VGCAPIINGVQZPQ-LJQANCHMSA-N 2 1 315.461 2.099 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123576 650900324 /nfs/dbraw/zinc/90/03/24/650900324.db2.gz SCAAYCNODYLBBJ-IBGZPJMESA-N 2 1 316.493 2.012 20 10 DECDMP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087897 645096221 /nfs/dbraw/zinc/09/62/21/645096221.db2.gz XQAMNJQDGOKHJS-GOSISDBHSA-N 2 1 303.450 2.145 20 10 DECDMP COc1c([O-])c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865069 647368467 /nfs/dbraw/zinc/36/84/67/647368467.db2.gz NWEWEIXIIKHAIE-MDZLAQPJSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865069 647368468 /nfs/dbraw/zinc/36/84/68/647368468.db2.gz NWEWEIXIIKHAIE-MDZLAQPJSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817865069 647368471 /nfs/dbraw/zinc/36/84/71/647368471.db2.gz NWEWEIXIIKHAIE-MDZLAQPJSA-N 2 1 323.393 2.114 20 10 DECDMP CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824636884 648628360 /nfs/dbraw/zinc/62/83/60/648628360.db2.gz UUGVIOAFHJSWGS-PKOBYXMFSA-N 2 1 317.477 2.031 20 10 DECDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000824815279 648656753 /nfs/dbraw/zinc/65/67/53/648656753.db2.gz KXJZVENVWDKMAM-VQIMIIECSA-N 2 1 317.477 2.295 20 10 DECDMP CN(Cc1c[nH+]c2n1CCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509139 648772630 /nfs/dbraw/zinc/77/26/30/648772630.db2.gz FTYATNNLMFMHOT-UHFFFAOYSA-N 2 1 314.433 2.406 20 10 DECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000850409801 651922553 /nfs/dbraw/zinc/92/25/53/651922553.db2.gz HAAKLRWXUSROMX-OAHLLOKOSA-N 2 1 313.449 2.023 20 10 DECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093770256 684051352 /nfs/dbraw/zinc/05/13/52/684051352.db2.gz PGJREMJLVVEZHY-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093770256 684051355 /nfs/dbraw/zinc/05/13/55/684051355.db2.gz PGJREMJLVVEZHY-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093770256 684051358 /nfs/dbraw/zinc/05/13/58/684051358.db2.gz PGJREMJLVVEZHY-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876944082 689978975 /nfs/dbraw/zinc/97/89/75/689978975.db2.gz XTPBTDCXHRYTNJ-QGZVFWFLSA-N 2 1 317.477 2.079 20 10 DECDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000877031006 690001852 /nfs/dbraw/zinc/00/18/52/690001852.db2.gz LANHMZUGJVFMQR-MRXNPFEDSA-N 2 1 304.434 2.434 20 10 DECDMP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000925844922 693351819 /nfs/dbraw/zinc/35/18/19/693351819.db2.gz NMWMEBFSSGPBQI-CQSZACIVSA-N 2 1 309.429 2.257 20 10 DECDMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001343395881 1150739031 /nfs/dbraw/zinc/73/90/31/1150739031.db2.gz YFQMMPQJJFSONJ-UONOGXRCSA-N 2 1 309.429 2.091 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c(OC)c1 ZINC001206325753 794891051 /nfs/dbraw/zinc/89/10/51/794891051.db2.gz IXTPWFZSIDZXNL-QGZVFWFLSA-N 2 1 308.422 2.360 20 10 DECDMP COc1cc(C[N@@H+](C)C2CCOCC2)cc(C[NH+](C)C)c1O ZINC001139253126 796349458 /nfs/dbraw/zinc/34/94/58/796349458.db2.gz MVIGBGGHPHXCPS-UHFFFAOYSA-N 2 1 308.422 2.073 20 10 DECDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC001139408639 796371859 /nfs/dbraw/zinc/37/18/59/796371859.db2.gz BHVGHGVVNFDPAI-UHFFFAOYSA-N 2 1 305.466 2.295 20 10 DECDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078104 796633125 /nfs/dbraw/zinc/63/31/25/796633125.db2.gz LBMOBQJKDNVEMV-KDURUIRLSA-N 2 1 311.473 2.379 20 10 DECDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078104 796633127 /nfs/dbraw/zinc/63/31/27/796633127.db2.gz LBMOBQJKDNVEMV-KDURUIRLSA-N 2 1 311.473 2.379 20 10 DECDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]2C1 ZINC001141078104 796633130 /nfs/dbraw/zinc/63/31/30/796633130.db2.gz LBMOBQJKDNVEMV-KDURUIRLSA-N 2 1 311.473 2.379 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1C[NH3+] ZINC001205150548 800305685 /nfs/dbraw/zinc/30/56/85/800305685.db2.gz FEKSWEPMORZRGO-CMPLNLGQSA-N 2 1 318.339 2.360 20 10 DECDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205274067 800335443 /nfs/dbraw/zinc/33/54/43/800335443.db2.gz SRYSBHTUJYVZJF-SFHVURJKSA-N 2 1 321.440 2.366 20 10 DECDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206548801 800552315 /nfs/dbraw/zinc/55/23/15/800552315.db2.gz JFZHDKUSNKVMIT-IBGZPJMESA-N 2 1 317.477 2.474 20 10 DECDMP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001343395878 1150739095 /nfs/dbraw/zinc/73/90/95/1150739095.db2.gz YFQMMPQJJFSONJ-KBPBESRZSA-N 2 1 309.429 2.091 20 10 DECDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159974 1150869694 /nfs/dbraw/zinc/86/96/94/1150869694.db2.gz PGLCBNOANKPPTK-IAGOWNOFSA-N 2 1 316.493 2.259 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOCC3CC3)cc2F)CC1 ZINC001473994843 1060791221 /nfs/dbraw/zinc/79/12/21/1060791221.db2.gz HFQFXRNIAZSSCI-UHFFFAOYSA-N 2 1 321.440 2.094 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC(F)F)cc2F)CC1 ZINC001474296452 1060844713 /nfs/dbraw/zinc/84/47/13/1060844713.db2.gz BNTVAJFFXRGAPA-UHFFFAOYSA-N 2 1 301.356 2.322 20 10 DECDMP COc1cc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC001621448407 1078174872 /nfs/dbraw/zinc/17/48/72/1078174872.db2.gz WMTFQJHYRKIDFL-HNNXBMFYSA-N 2 1 320.433 2.052 20 10 DECDMP COCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001620724088 1076093926 /nfs/dbraw/zinc/09/39/26/1076093926.db2.gz HEDDWNBMOMLIDW-UHFFFAOYSA-N 2 1 309.429 2.094 20 10 DECDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267814 1091645545 /nfs/dbraw/zinc/64/55/45/1091645545.db2.gz XVZFSQOKZAESLY-CALCHBBNSA-N 2 1 317.477 2.098 20 10 DECDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267814 1091645549 /nfs/dbraw/zinc/64/55/49/1091645549.db2.gz XVZFSQOKZAESLY-CALCHBBNSA-N 2 1 317.477 2.098 20 10 DECDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267814 1091645552 /nfs/dbraw/zinc/64/55/52/1091645552.db2.gz XVZFSQOKZAESLY-CALCHBBNSA-N 2 1 317.477 2.098 20 10 DECDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267814 1091645556 /nfs/dbraw/zinc/64/55/56/1091645556.db2.gz XVZFSQOKZAESLY-CALCHBBNSA-N 2 1 317.477 2.098 20 10 DECDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267814 1091645559 /nfs/dbraw/zinc/64/55/59/1091645559.db2.gz XVZFSQOKZAESLY-CALCHBBNSA-N 2 1 317.477 2.098 20 10 DECDMP COc1cc(O)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC001236795733 1138429248 /nfs/dbraw/zinc/42/92/48/1138429248.db2.gz OAAAMYVGYHARHW-NEPJUHHUSA-N 2 1 310.825 2.438 20 10 DECDMP Cc1cc(Cl)cc(C[NH+]2CCN(CC[NH+](C)C)CC2)c1O ZINC001237682187 1138755464 /nfs/dbraw/zinc/75/54/64/1138755464.db2.gz ZVUHATVUXKFFFT-UHFFFAOYSA-N 2 1 311.857 2.033 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371466932 529780673 /nfs/dbraw/zinc/78/06/73/529780673.db2.gz UFLAFJBWXRICJS-GUDVDZBRSA-N 2 1 317.477 2.436 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000273551177 130135694 /nfs/dbraw/zinc/13/56/94/130135694.db2.gz FZEOJMIEUUMBNJ-MBNYWOFBSA-N 2 1 318.417 2.455 20 10 DECDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1O ZINC000185353371 402346678 /nfs/dbraw/zinc/34/66/78/402346678.db2.gz ZSFCHAMQUQSNRI-AWEZNQCLSA-N 2 1 323.456 2.456 20 10 DECDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282419809 403152170 /nfs/dbraw/zinc/15/21/70/403152170.db2.gz SOWDAVLVVKSKFN-OAHLLOKOSA-N 2 1 305.466 2.377 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293692126 403538972 /nfs/dbraw/zinc/53/89/72/403538972.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293692126 403538977 /nfs/dbraw/zinc/53/89/77/403538977.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000293692126 403538979 /nfs/dbraw/zinc/53/89/79/403538979.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000293692126 403538984 /nfs/dbraw/zinc/53/89/84/403538984.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COCCCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327486862 1148566285 /nfs/dbraw/zinc/56/62/85/1148566285.db2.gz OXOARMPGWVVCNW-UHFFFAOYSA-N 2 1 323.456 2.436 20 10 DECDMP COCCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327486862 1148566297 /nfs/dbraw/zinc/56/62/97/1148566297.db2.gz OXOARMPGWVVCNW-UHFFFAOYSA-N 2 1 323.456 2.436 20 10 DECDMP c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000236681709 625323300 /nfs/dbraw/zinc/32/33/00/625323300.db2.gz KMGBZWVOBOPIKZ-MOPGFXCFSA-N 2 1 315.461 2.240 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236681709 625323304 /nfs/dbraw/zinc/32/33/04/625323304.db2.gz KMGBZWVOBOPIKZ-MOPGFXCFSA-N 2 1 315.461 2.240 20 10 DECDMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179834003 625868493 /nfs/dbraw/zinc/86/84/93/625868493.db2.gz QXWWCQNBLSWJGW-UHFFFAOYSA-N 2 1 317.477 2.486 20 10 DECDMP CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895928976 638271437 /nfs/dbraw/zinc/27/14/37/638271437.db2.gz WREKOUOBBVWKOV-LPHOPBHVSA-N 2 1 317.477 2.438 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000841063137 650418691 /nfs/dbraw/zinc/41/86/91/650418691.db2.gz ILTPUYXBORIGQY-KDOFPFPSSA-N 2 1 303.450 2.394 20 10 DECDMP CCCN(CCC)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762555286 640438056 /nfs/dbraw/zinc/43/80/56/640438056.db2.gz DHIJMKGTNWVUBZ-LJQANCHMSA-N 2 1 319.493 2.469 20 10 DECDMP CCCN(CCC)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762555286 640438061 /nfs/dbraw/zinc/43/80/61/640438061.db2.gz DHIJMKGTNWVUBZ-LJQANCHMSA-N 2 1 319.493 2.469 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 ZINC000775653257 642073584 /nfs/dbraw/zinc/07/35/84/642073584.db2.gz BJZXWZCHNCQRAN-HZPDHXFCSA-N 2 1 303.450 2.048 20 10 DECDMP C[C@@H]1COCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775705758 642082773 /nfs/dbraw/zinc/08/27/73/642082773.db2.gz KXXXGDBGKJKDLJ-MRXNPFEDSA-N 2 1 303.450 2.049 20 10 DECDMP C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780893576 642685826 /nfs/dbraw/zinc/68/58/26/642685826.db2.gz YFPLSZPSLUBTLL-FUHWJXTLSA-N 2 1 317.477 2.031 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000903959723 643519888 /nfs/dbraw/zinc/51/98/88/643519888.db2.gz MZSJUTKXTSLEGO-GOSISDBHSA-N 2 1 320.433 2.375 20 10 DECDMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000844903465 651180976 /nfs/dbraw/zinc/18/09/76/651180976.db2.gz ZPNNODUSTNYBBS-XIRDDKMYSA-N 2 1 304.434 2.419 20 10 DECDMP CCO[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)C[C@H]1C[NH3+] ZINC000844904567 651181260 /nfs/dbraw/zinc/18/12/60/651181260.db2.gz CRDXKELBTBEZGI-SJLPKXTDSA-N 2 1 305.466 2.328 20 10 DECDMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846804618 651353181 /nfs/dbraw/zinc/35/31/81/651353181.db2.gz NTAATSDWSJGPCO-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846804618 651353182 /nfs/dbraw/zinc/35/31/82/651353182.db2.gz NTAATSDWSJGPCO-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000846804618 651353183 /nfs/dbraw/zinc/35/31/83/651353183.db2.gz NTAATSDWSJGPCO-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000846804618 651353184 /nfs/dbraw/zinc/35/31/84/651353184.db2.gz NTAATSDWSJGPCO-KRWDZBQOSA-N 2 1 306.450 2.449 20 10 DECDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048333 651595855 /nfs/dbraw/zinc/59/58/55/651595855.db2.gz HOTOABBKCWWZFN-ZDUSSCGKSA-N 2 1 310.829 2.144 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000863484006 686509150 /nfs/dbraw/zinc/50/91/50/686509150.db2.gz GIXHWPWLDGGLMA-HOCLYGCPSA-N 2 1 303.450 2.394 20 10 DECDMP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000863544474 686518778 /nfs/dbraw/zinc/51/87/78/686518778.db2.gz VEXFSJJAFPAMDQ-JTQLQIEISA-N 2 1 306.328 2.298 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873271748 689199332 /nfs/dbraw/zinc/19/93/32/689199332.db2.gz KKCBLBPZSRUWEQ-NWDGAFQWSA-N 2 1 306.406 2.218 20 10 DECDMP Cc1cccc(O)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781139 689935783 /nfs/dbraw/zinc/93/57/83/689935783.db2.gz CXSLOFGEBCYZDJ-AEFFLSMTSA-N 2 1 317.477 2.158 20 10 DECDMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000925757177 693336939 /nfs/dbraw/zinc/33/69/39/693336939.db2.gz DSQIKVPREOTPDK-LBPRGKRZSA-N 2 1 306.406 2.443 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1OC ZINC001206573536 788183566 /nfs/dbraw/zinc/18/35/66/788183566.db2.gz MZVDNZVMJOCGRK-KRWDZBQOSA-N 2 1 308.422 2.360 20 10 DECDMP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117137717 795027712 /nfs/dbraw/zinc/02/77/12/795027712.db2.gz MPVMLAIDJBXFDS-CZUORRHYSA-N 2 1 323.481 2.419 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255104 796350243 /nfs/dbraw/zinc/35/02/43/796350243.db2.gz NALNSXZANAVEHC-CJNGLKHVSA-N 2 1 322.449 2.055 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C)cc2)CC1 ZINC001140302353 796503321 /nfs/dbraw/zinc/50/33/21/796503321.db2.gz PDEQBAMXRVONIQ-MRXNPFEDSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C)cc2)CC1 ZINC001140302353 796503324 /nfs/dbraw/zinc/50/33/24/796503324.db2.gz PDEQBAMXRVONIQ-MRXNPFEDSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)C[C@H]3CO)cc2)CC1 ZINC001140302703 796503396 /nfs/dbraw/zinc/50/33/96/796503396.db2.gz YGPVHBOKEBCACO-LPHOPBHVSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](O)C3)cc2)CC1 ZINC001140302356 796503962 /nfs/dbraw/zinc/50/39/62/796503962.db2.gz PFFYRYXMYKYBEU-APWZRJJASA-N 2 1 317.477 2.031 20 10 DECDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141030933 796620961 /nfs/dbraw/zinc/62/09/61/796620961.db2.gz RFHZNWBQWKBRSB-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141030933 796620965 /nfs/dbraw/zinc/62/09/65/796620965.db2.gz RFHZNWBQWKBRSB-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141030933 796620968 /nfs/dbraw/zinc/62/09/68/796620968.db2.gz RFHZNWBQWKBRSB-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cc(OC)cc3OC)C[C@@H]2C1 ZINC001141030933 796620973 /nfs/dbraw/zinc/62/09/73/796620973.db2.gz RFHZNWBQWKBRSB-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205681309 800401338 /nfs/dbraw/zinc/40/13/38/800401338.db2.gz HYQSQWZKYPLJIE-INIZCTEOSA-N 2 1 311.857 2.082 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205681309 800401342 /nfs/dbraw/zinc/40/13/42/800401342.db2.gz HYQSQWZKYPLJIE-INIZCTEOSA-N 2 1 311.857 2.082 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205683346 800401349 /nfs/dbraw/zinc/40/13/49/800401349.db2.gz YSGAVJIQMNELKO-SFHVURJKSA-N 2 1 306.450 2.365 20 10 DECDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1O ZINC001205973205 800452471 /nfs/dbraw/zinc/45/24/71/800452471.db2.gz KVXJIEVMMWRCBM-SJLPKXTDSA-N 2 1 316.376 2.092 20 10 DECDMP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001335167020 1150380734 /nfs/dbraw/zinc/38/07/34/1150380734.db2.gz NDKSIYIVDJBZFN-AWEZNQCLSA-N 2 1 323.456 2.481 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001276635330 1083527010 /nfs/dbraw/zinc/52/70/10/1083527010.db2.gz GRZOUPFCGVLSOF-JLYLLQBASA-N 2 1 315.461 2.238 20 10 DECDMP CC[NH+]1CCN(c2ccc(O[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC001234657247 1084189053 /nfs/dbraw/zinc/18/90/53/1084189053.db2.gz CUDKZUBTPSPLSG-SFHVURJKSA-N 2 1 303.450 2.302 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c(Cl)c1 ZINC001236072318 1084603473 /nfs/dbraw/zinc/60/34/73/1084603473.db2.gz GCNXPBUBSZYNMV-MRXNPFEDSA-N 2 1 322.884 2.013 20 10 DECDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(C(C)(C)C)ccc1O ZINC001236080903 1084608981 /nfs/dbraw/zinc/60/89/81/1084608981.db2.gz HVPNDWVFCQJMCZ-UHFFFAOYSA-N 2 1 305.466 2.027 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001275585338 1091888051 /nfs/dbraw/zinc/88/80/51/1091888051.db2.gz SDZZUQWFFCJDJF-GOSISDBHSA-N 2 1 303.450 2.376 20 10 DECDMP CN(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001275585338 1091888055 /nfs/dbraw/zinc/88/80/55/1091888055.db2.gz SDZZUQWFFCJDJF-GOSISDBHSA-N 2 1 303.450 2.376 20 10 DECDMP CN(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001275585338 1091888062 /nfs/dbraw/zinc/88/80/62/1091888062.db2.gz SDZZUQWFFCJDJF-GOSISDBHSA-N 2 1 303.450 2.376 20 10 DECDMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001275968680 1092397961 /nfs/dbraw/zinc/39/79/61/1092397961.db2.gz IKBQLIRLPWIEMG-CALCHBBNSA-N 2 1 317.477 2.219 20 10 DECDMP CC(C)[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236469555 1138366750 /nfs/dbraw/zinc/36/67/50/1138366750.db2.gz YMZYOWYPFHFMCP-LJQANCHMSA-N 3 1 316.493 2.059 20 10 DECDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236469555 1138366752 /nfs/dbraw/zinc/36/67/52/1138366752.db2.gz YMZYOWYPFHFMCP-LJQANCHMSA-N 3 1 316.493 2.059 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(OC)cc3O)C[C@@H]2C1 ZINC001236816956 1138438629 /nfs/dbraw/zinc/43/86/29/1138438629.db2.gz ZOLJMWRJRNGMAQ-GASCZTMLSA-N 2 1 304.434 2.483 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cc(OC)cc3O)C[C@@H]2C1 ZINC001236816956 1138438632 /nfs/dbraw/zinc/43/86/32/1138438632.db2.gz ZOLJMWRJRNGMAQ-GASCZTMLSA-N 2 1 304.434 2.483 20 10 DECDMP CC[NH+](CC)C[C@@H](O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001253196931 1142852483 /nfs/dbraw/zinc/85/24/83/1142852483.db2.gz ZVZPGPIYFGMEBR-GOSISDBHSA-N 2 1 307.482 2.277 20 10 DECDMP CC[NH+](CC)C[C@@H](O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001253196931 1142852486 /nfs/dbraw/zinc/85/24/86/1142852486.db2.gz ZVZPGPIYFGMEBR-GOSISDBHSA-N 2 1 307.482 2.277 20 10 DECDMP CO[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001254005172 1143022491 /nfs/dbraw/zinc/02/24/91/1143022491.db2.gz TVTUSOSUWIAWJP-INIZCTEOSA-N 2 1 321.440 2.188 20 10 DECDMP CO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001254005172 1143022502 /nfs/dbraw/zinc/02/25/02/1143022502.db2.gz TVTUSOSUWIAWJP-INIZCTEOSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)O1 ZINC001324849337 1147852787 /nfs/dbraw/zinc/85/27/87/1147852787.db2.gz RIHMMEMLEZNNDF-GOEBONIOSA-N 2 1 321.440 2.235 20 10 DECDMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325382850 1147898088 /nfs/dbraw/zinc/89/80/88/1147898088.db2.gz HBDDYFUHHWORDU-IYBDPMFKSA-N 2 1 321.440 2.235 20 10 DECDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173428399 402697259 /nfs/dbraw/zinc/69/72/59/402697259.db2.gz BMRLGNADBOQBAG-ZDUSSCGKSA-N 2 1 306.406 2.285 20 10 DECDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173428399 402697260 /nfs/dbraw/zinc/69/72/60/402697260.db2.gz BMRLGNADBOQBAG-ZDUSSCGKSA-N 2 1 306.406 2.285 20 10 DECDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297731279 404606090 /nfs/dbraw/zinc/60/60/90/404606090.db2.gz NPKKVOOLBQIUKP-HOTGVXAUSA-N 2 1 304.434 2.206 20 10 DECDMP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH2+]Cc2ccccc21 ZINC000662409340 425644595 /nfs/dbraw/zinc/64/45/95/425644595.db2.gz IFKIJILFWCQGEJ-UHFFFAOYSA-N 2 1 307.397 2.082 20 10 DECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841029872 650408701 /nfs/dbraw/zinc/40/87/01/650408701.db2.gz SZNHOOPZWKBKBK-HNNXBMFYSA-N 2 1 309.429 2.269 20 10 DECDMP CCOc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000841043143 641442837 /nfs/dbraw/zinc/44/28/37/641442837.db2.gz RQKSLMFPLKENBR-UHFFFAOYSA-N 2 1 315.417 2.455 20 10 DECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000771839955 641558769 /nfs/dbraw/zinc/55/87/69/641558769.db2.gz ACPXLWIJNUSKSF-FUHWJXTLSA-N 3 1 316.493 2.011 20 10 DECDMP COC(C)(C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775737141 642087491 /nfs/dbraw/zinc/08/74/91/642087491.db2.gz BTAVVGYVIKQBAM-UHFFFAOYSA-N 2 1 305.466 2.295 20 10 DECDMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000903426826 643345747 /nfs/dbraw/zinc/34/57/47/643345747.db2.gz OZSYJQIZTSBQCW-HYVNUMGLSA-N 2 1 304.434 2.229 20 10 DECDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000843054343 650878654 /nfs/dbraw/zinc/87/86/54/650878654.db2.gz VPOBUELMPZIDDW-JLYLLQBASA-N 2 1 315.461 2.367 20 10 DECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000843058391 650880049 /nfs/dbraw/zinc/88/00/49/650880049.db2.gz QVNNZSUJZKBAND-BHIYHBOVSA-N 2 1 315.461 2.082 20 10 DECDMP CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000801599252 645421106 /nfs/dbraw/zinc/42/11/06/645421106.db2.gz HHTNAUOXWSHETJ-KRWDZBQOSA-N 2 1 306.450 2.451 20 10 DECDMP CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000801599252 645421109 /nfs/dbraw/zinc/42/11/09/645421109.db2.gz HHTNAUOXWSHETJ-KRWDZBQOSA-N 2 1 306.450 2.451 20 10 DECDMP COc1c(O)c(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000817413982 647289258 /nfs/dbraw/zinc/28/92/58/647289258.db2.gz OJQIESJGILRFGM-UHFFFAOYSA-N 2 1 323.393 2.271 20 10 DECDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000817866070 647369440 /nfs/dbraw/zinc/36/94/40/647369440.db2.gz VXJKTAGGOUZGRL-BZPMIXESSA-N 2 1 308.422 2.215 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000844900984 651180476 /nfs/dbraw/zinc/18/04/76/651180476.db2.gz CRGCQXNMGZVEJN-JCKWVBRZSA-N 2 1 320.433 2.119 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000844902296 651181119 /nfs/dbraw/zinc/18/11/19/651181119.db2.gz PALOPAKRFDGCCH-CVEARBPZSA-N 2 1 305.466 2.451 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000844911235 651182258 /nfs/dbraw/zinc/18/22/58/651182258.db2.gz MLVGAEVJZQFVPK-BFYDXBDKSA-N 2 1 308.397 2.392 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000844923683 651183772 /nfs/dbraw/zinc/18/37/72/651183772.db2.gz HHMFDUNGKZSBOM-GFCCVEGCSA-N 2 1 306.406 2.219 20 10 DECDMP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000850222834 651865800 /nfs/dbraw/zinc/86/58/00/651865800.db2.gz PAPGEVDGQLMPAK-SFHVURJKSA-N 2 1 324.465 2.101 20 10 DECDMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119003 685276108 /nfs/dbraw/zinc/27/61/08/685276108.db2.gz IXZJXJIZROVLGE-MAUKXSAKSA-N 2 1 305.466 2.250 20 10 DECDMP Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000873215809 689185916 /nfs/dbraw/zinc/18/59/16/689185916.db2.gz HOWWHGMFXTXUHF-CMPLNLGQSA-N 2 1 313.239 2.490 20 10 DECDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000873215809 689185919 /nfs/dbraw/zinc/18/59/19/689185919.db2.gz HOWWHGMFXTXUHF-CMPLNLGQSA-N 2 1 313.239 2.490 20 10 DECDMP Cc1cccc(O)c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000876696681 689906658 /nfs/dbraw/zinc/90/66/58/689906658.db2.gz IMLTUQMINJBTBP-QGZVFWFLSA-N 2 1 317.477 2.303 20 10 DECDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000876810934 689943963 /nfs/dbraw/zinc/94/39/63/689943963.db2.gz FGQFEIZJPTUECE-SOLBZPMBSA-N 2 1 304.434 2.384 20 10 DECDMP CCC1([NH3+])CC[NH+]([C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000925757176 693336486 /nfs/dbraw/zinc/33/64/86/693336486.db2.gz DSQIKVPREOTPDK-GFCCVEGCSA-N 2 1 306.406 2.443 20 10 DECDMP COc1cc(C[N@H+]2CCCC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139253171 796349107 /nfs/dbraw/zinc/34/91/07/796349107.db2.gz ONPJWHIKZBGISR-SFHVURJKSA-N 2 1 322.449 2.199 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@H]1O ZINC001139407899 796372443 /nfs/dbraw/zinc/37/24/43/796372443.db2.gz FNKYZVNRGFBRPZ-VQIMIIECSA-N 2 1 317.477 2.031 20 10 DECDMP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](C)CC1 ZINC001140281480 796500894 /nfs/dbraw/zinc/50/08/94/796500894.db2.gz GPKPFQLWXAXXCW-UHFFFAOYSA-N 2 1 317.477 2.174 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](C)CC1 ZINC001140281480 796500897 /nfs/dbraw/zinc/50/08/97/796500897.db2.gz GPKPFQLWXAXXCW-UHFFFAOYSA-N 2 1 317.477 2.174 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)[C@H](C)C3)cc2)CC1 ZINC001140302668 796503364 /nfs/dbraw/zinc/50/33/64/796503364.db2.gz XCOFCUWOEAYMJR-MRXNPFEDSA-N 2 1 315.461 2.239 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)[C@H](C)C3)cc2)CC1 ZINC001140302668 796503366 /nfs/dbraw/zinc/50/33/66/796503366.db2.gz XCOFCUWOEAYMJR-MRXNPFEDSA-N 2 1 315.461 2.239 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@H]3CCOC3)cc2)CC1 ZINC001140304468 796503739 /nfs/dbraw/zinc/50/37/39/796503739.db2.gz QYFSQBFBGKTYAI-SFHVURJKSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOCC3(C)C)cc2)CC1 ZINC001140304025 796504182 /nfs/dbraw/zinc/50/41/82/796504182.db2.gz FAJFUFATEDUYIZ-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc4c(c3)OCCN4C)C[C@H]2C1 ZINC001141146500 796639620 /nfs/dbraw/zinc/63/96/20/796639620.db2.gz XTRLYEZTOQFEDW-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146500 796639622 /nfs/dbraw/zinc/63/96/22/796639622.db2.gz XTRLYEZTOQFEDW-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146500 796639624 /nfs/dbraw/zinc/63/96/24/796639624.db2.gz XTRLYEZTOQFEDW-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146500 796639628 /nfs/dbraw/zinc/63/96/28/796639628.db2.gz XTRLYEZTOQFEDW-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146500 796639630 /nfs/dbraw/zinc/63/96/30/796639630.db2.gz XTRLYEZTOQFEDW-CALCHBBNSA-N 2 1 315.461 2.289 20 10 DECDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205266969 800333777 /nfs/dbraw/zinc/33/37/77/800333777.db2.gz ZCIHFCLRWUKXIZ-GOSISDBHSA-N 2 1 303.450 2.227 20 10 DECDMP COCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657043363 1080149565 /nfs/dbraw/zinc/14/95/65/1080149565.db2.gz RCCXXPLUAKOAAK-AWEZNQCLSA-N 2 1 309.429 2.092 20 10 DECDMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516959 1083477148 /nfs/dbraw/zinc/47/71/48/1083477148.db2.gz XLHAKVFYHKUHJH-KRWDZBQOSA-N 2 1 306.406 2.111 20 10 DECDMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516959 1083477177 /nfs/dbraw/zinc/47/71/77/1083477177.db2.gz XLHAKVFYHKUHJH-KRWDZBQOSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516959 1083477189 /nfs/dbraw/zinc/47/71/89/1083477189.db2.gz XLHAKVFYHKUHJH-KRWDZBQOSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516959 1083477194 /nfs/dbraw/zinc/47/71/94/1083477194.db2.gz XLHAKVFYHKUHJH-KRWDZBQOSA-N 2 1 306.406 2.111 20 10 DECDMP CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC001234657243 1084189281 /nfs/dbraw/zinc/18/92/81/1084189281.db2.gz CUDKZUBTPSPLSG-GOSISDBHSA-N 2 1 303.450 2.302 20 10 DECDMP CN(C)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c2ccccc21 ZINC001234980620 1084259313 /nfs/dbraw/zinc/25/93/13/1084259313.db2.gz HCAIXINLWQRTMU-HXUWFJFHSA-N 2 1 324.472 2.043 20 10 DECDMP Cc1cccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001276079621 1091514552 /nfs/dbraw/zinc/51/45/52/1091514552.db2.gz BGAFOSXUCRATDW-UHFFFAOYSA-N 2 1 317.477 2.160 20 10 DECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cn[nH]c1 ZINC001319732813 1140698346 /nfs/dbraw/zinc/69/83/46/1140698346.db2.gz KGVUOLBVCXPCIT-CYBMUJFWSA-N 2 1 317.412 2.151 20 10 DECDMP CCOc1ccc(O)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000290208855 131464909 /nfs/dbraw/zinc/46/49/09/131464909.db2.gz QGJHPBSKACIMRK-UHFFFAOYSA-N 2 1 323.481 2.106 20 10 DECDMP COc1c(O)c(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278530540 402867486 /nfs/dbraw/zinc/86/74/86/402867486.db2.gz VCFDLMIJODCAPV-UHFFFAOYSA-N 2 1 323.393 2.131 20 10 DECDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268821626 403117380 /nfs/dbraw/zinc/11/73/80/403117380.db2.gz PJMVSAIACYVZLX-HNNXBMFYSA-N 2 1 314.433 2.379 20 10 DECDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000268858138 403120356 /nfs/dbraw/zinc/12/03/56/403120356.db2.gz RJGHXROXSSEKNY-OAHLLOKOSA-N 2 1 305.466 2.250 20 10 DECDMP C[N@H+]1CCN(CC[NH2+]Cc2c(O)cccc2Cl)CC1(C)C ZINC000282512631 403156122 /nfs/dbraw/zinc/15/61/22/403156122.db2.gz XMHKQXWODVMFHW-UHFFFAOYSA-N 2 1 311.857 2.161 20 10 DECDMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1N(C)C ZINC000293840743 403577674 /nfs/dbraw/zinc/57/76/74/403577674.db2.gz QMMMFJUCKHYJIU-UHFFFAOYSA-N 2 1 318.509 2.130 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370703908 534196877 /nfs/dbraw/zinc/19/68/77/534196877.db2.gz VHNWAAUEKXHFLR-SJLPKXTDSA-N 2 1 317.477 2.158 20 10 DECDMP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000375015062 534711856 /nfs/dbraw/zinc/71/18/56/534711856.db2.gz CAFBDXBHQLFGDZ-WMZOPIPTSA-N 2 1 317.477 2.158 20 10 DECDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1OC ZINC000892608266 625190165 /nfs/dbraw/zinc/19/01/65/625190165.db2.gz OZKUGWJNYQDELO-KGLIPLIRSA-N 2 1 306.406 2.126 20 10 DECDMP COc1ccc(N2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178979273 625232415 /nfs/dbraw/zinc/23/24/15/625232415.db2.gz VOUSTRSQKCMONU-UHFFFAOYSA-N 2 1 303.450 2.207 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413892 637167109 /nfs/dbraw/zinc/16/71/09/637167109.db2.gz JLGJSZPFXSXZJV-PKOBYXMFSA-N 2 1 315.461 2.097 20 10 DECDMP COc1c(O)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000839182350 637811695 /nfs/dbraw/zinc/81/16/95/637811695.db2.gz MTEIICRRHMYGIQ-GFCCVEGCSA-N 2 1 323.393 2.131 20 10 DECDMP COc1c(O)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000839182350 637811700 /nfs/dbraw/zinc/81/17/00/637811700.db2.gz MTEIICRRHMYGIQ-GFCCVEGCSA-N 2 1 323.393 2.131 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccnc1 ZINC000780890965 642685492 /nfs/dbraw/zinc/68/54/92/642685492.db2.gz KGIXHSAUQRPEGQ-UHFFFAOYSA-N 2 1 310.445 2.465 20 10 DECDMP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954523 643529388 /nfs/dbraw/zinc/52/93/88/643529388.db2.gz DIYHRJMMJFQOES-GFCCVEGCSA-N 2 1 301.356 2.226 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843060906 650880974 /nfs/dbraw/zinc/88/09/74/650880974.db2.gz RCQQCMWRSSALJC-SFHVURJKSA-N 2 1 303.450 2.207 20 10 DECDMP Cc1ccc(O)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000809734369 646270725 /nfs/dbraw/zinc/27/07/25/646270725.db2.gz DZTPRVYSEGWAKE-UHFFFAOYSA-N 2 1 305.466 2.158 20 10 DECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000817865994 647369062 /nfs/dbraw/zinc/36/90/62/647369062.db2.gz ROMNJZAFYHBNHM-JFIYKMOQSA-N 2 1 317.477 2.328 20 10 DECDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817958920 647393952 /nfs/dbraw/zinc/39/39/52/647393952.db2.gz MTYASBDPIPHAKS-BBRMVZONSA-N 2 1 309.429 2.296 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000819377321 647647362 /nfs/dbraw/zinc/64/73/62/647647362.db2.gz PKNGYTYUGOQBOG-KXBFYZLASA-N 2 1 319.493 2.037 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000819377321 647647368 /nfs/dbraw/zinc/64/73/68/647647368.db2.gz PKNGYTYUGOQBOG-KXBFYZLASA-N 2 1 319.493 2.037 20 10 DECDMP CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824636883 648628406 /nfs/dbraw/zinc/62/84/06/648628406.db2.gz UUGVIOAFHJSWGS-MJGOQNOKSA-N 2 1 317.477 2.031 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000846225117 651316469 /nfs/dbraw/zinc/31/64/69/651316469.db2.gz JBKGVIGRBQPWFC-UHFFFAOYSA-N 2 1 305.466 2.453 20 10 DECDMP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(C(F)(F)F)c1O ZINC000863544932 686519425 /nfs/dbraw/zinc/51/94/25/686519425.db2.gz FKPOJDCSWFRTDZ-JTQLQIEISA-N 2 1 306.328 2.427 20 10 DECDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646407 686539294 /nfs/dbraw/zinc/53/92/94/686539294.db2.gz SERFQLMFWVXEKA-ZYHUDNBSSA-N 2 1 306.303 2.490 20 10 DECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646407 686539299 /nfs/dbraw/zinc/53/92/99/686539299.db2.gz SERFQLMFWVXEKA-ZYHUDNBSSA-N 2 1 306.303 2.490 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)CC(C)(C)C3)cc2)CC1 ZINC000877751808 690215375 /nfs/dbraw/zinc/21/53/75/690215375.db2.gz KKWZCCGKXCTMCM-GOSISDBHSA-N 2 1 317.477 2.031 20 10 DECDMP CC[C@](C)(CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001333091888 1149995249 /nfs/dbraw/zinc/99/52/49/1149995249.db2.gz CPYHNKQGXMWUGH-GOSISDBHSA-N 2 1 323.456 2.218 20 10 DECDMP CCC[C@H](CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331955291 1149800071 /nfs/dbraw/zinc/80/00/71/1149800071.db2.gz UHKIIRDGJYXUDC-MRXNPFEDSA-N 2 1 323.456 2.218 20 10 DECDMP COC[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444273 794956776 /nfs/dbraw/zinc/95/67/76/794956776.db2.gz VNRMTSUWFZBILH-INIZCTEOSA-N 2 1 321.440 2.046 20 10 DECDMP COC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444273 794956780 /nfs/dbraw/zinc/95/67/80/794956780.db2.gz VNRMTSUWFZBILH-INIZCTEOSA-N 2 1 321.440 2.046 20 10 DECDMP COCC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C(C)C ZINC001139256460 796350362 /nfs/dbraw/zinc/35/03/62/796350362.db2.gz CKEJAWOETNFJCT-UHFFFAOYSA-N 2 1 310.438 2.319 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC4(COC4)C3)cc2)CC1 ZINC001139408061 796372259 /nfs/dbraw/zinc/37/22/59/796372259.db2.gz JHACYDBLFQMMLE-UHFFFAOYSA-N 2 1 315.461 2.051 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@H](O)C3)cc2)CC1 ZINC001140302357 796503916 /nfs/dbraw/zinc/50/39/16/796503916.db2.gz PFFYRYXMYKYBEU-VQIMIIECSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3(C)COC3)cc2)CC1 ZINC001140306413 796504941 /nfs/dbraw/zinc/50/49/41/796504941.db2.gz RCVRPMUIYLWRBQ-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP CC(C)[N@H+]1CCC[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218348130 802170673 /nfs/dbraw/zinc/17/06/73/802170673.db2.gz NULUKFJTLYFJCC-GOSISDBHSA-N 2 1 303.450 2.348 20 10 DECDMP COc1cc(C)c(C[N@H+]2C[C@H](C)OC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001579145021 1067241758 /nfs/dbraw/zinc/24/17/58/1067241758.db2.gz SBHNHZOQCUJNJM-AWEZNQCLSA-N 2 1 320.433 2.052 20 10 DECDMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1Cn1cccn1 ZINC001579216106 1067261548 /nfs/dbraw/zinc/26/15/48/1067261548.db2.gz CJLKBKCTHPVJBI-KRWDZBQOSA-N 2 1 316.449 2.403 20 10 DECDMP CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655597111 1080007852 /nfs/dbraw/zinc/00/78/52/1080007852.db2.gz KNHJHYQYLBJUHD-KDOFPFPSSA-N 2 1 323.456 2.074 20 10 DECDMP CCc1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(O)c1 ZINC001276805577 1083622267 /nfs/dbraw/zinc/62/22/67/1083622267.db2.gz YIBFDCZTDPNMMJ-FUHWJXTLSA-N 2 1 317.477 2.022 20 10 DECDMP Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234978765 1084257274 /nfs/dbraw/zinc/25/72/74/1084257274.db2.gz BIGWGOVISVMUCW-FQEVSTJZSA-N 2 1 324.472 2.231 20 10 DECDMP c1ccc(OC2C[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235705690 1084508278 /nfs/dbraw/zinc/50/82/78/1084508278.db2.gz NJQCUGZGYWRTCM-UHFFFAOYSA-N 2 1 323.440 2.359 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c1O ZINC001236080377 1084608274 /nfs/dbraw/zinc/60/82/74/1084608274.db2.gz WGALKQVCOGZRLW-INIZCTEOSA-N 2 1 317.477 2.297 20 10 DECDMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001276365592 1085826768 /nfs/dbraw/zinc/82/67/68/1085826768.db2.gz RVXQWVXVBCZUSR-ROUUACIJSA-N 2 1 317.477 2.219 20 10 DECDMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001276366107 1085963553 /nfs/dbraw/zinc/96/35/53/1085963553.db2.gz ZWAGICLRMVEUMI-CALCHBBNSA-N 2 1 317.477 2.219 20 10 DECDMP COC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933078 1138460583 /nfs/dbraw/zinc/46/05/83/1138460583.db2.gz URCNISQTVNOJFL-HNNXBMFYSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001319839997 1140756019 /nfs/dbraw/zinc/75/60/19/1140756019.db2.gz RGZSQIZDBAMSIS-HOCLYGCPSA-N 2 1 321.440 2.235 20 10 DECDMP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246523636 1140936904 /nfs/dbraw/zinc/93/69/04/1140936904.db2.gz ZFMHIOFZORGRCJ-FKEKPDDDSA-N 2 1 301.434 2.100 20 10 DECDMP CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320975305 1141015339 /nfs/dbraw/zinc/01/53/39/1141015339.db2.gz RQTFWQJCUQEWEL-CVEARBPZSA-N 2 1 321.440 2.235 20 10 DECDMP COCC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324074405 1142000708 /nfs/dbraw/zinc/00/07/08/1142000708.db2.gz AKRBCMFUJKSTKA-UHFFFAOYSA-N 2 1 323.456 2.340 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(C)CCOCC3)cc2F)CC1 ZINC001324336058 1142058426 /nfs/dbraw/zinc/05/84/26/1142058426.db2.gz UCGBWJVMKLWBNG-UHFFFAOYSA-N 2 1 321.440 2.236 20 10 DECDMP CC[C@](C)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001261256389 1144228330 /nfs/dbraw/zinc/22/83/30/1144228330.db2.gz FSNZJROCKYRXPM-GOSISDBHSA-N 2 1 323.456 2.482 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2F)CC1 ZINC001324919927 1147857969 /nfs/dbraw/zinc/85/79/69/1147857969.db2.gz IBFZYFXEEHBNBR-HNNXBMFYSA-N 2 1 323.481 2.420 20 10 DECDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000063255900 402112383 /nfs/dbraw/zinc/11/23/83/402112383.db2.gz UWCNARXBNLHPLK-ZDUSSCGKSA-N 2 1 306.406 2.475 20 10 DECDMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151921068 402065824 /nfs/dbraw/zinc/06/58/24/402065824.db2.gz ZILKOZMTFOOIMV-AWEZNQCLSA-N 2 1 309.429 2.265 20 10 DECDMP Cc1cc(O)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000282334366 403144246 /nfs/dbraw/zinc/14/42/46/403144246.db2.gz LTCQWTUBPLIFNG-UHFFFAOYSA-N 2 1 305.466 2.125 20 10 DECDMP C[N@@H+](Cc1cc2c(cc1O)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289802905 404000080 /nfs/dbraw/zinc/00/00/80/404000080.db2.gz SLNCRCAHJBUKQH-PBWFPOADSA-N 2 1 304.390 2.178 20 10 DECDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000892742843 625529782 /nfs/dbraw/zinc/52/97/82/625529782.db2.gz JYBNRSGGBUVDGV-ZDUSSCGKSA-N 2 1 308.422 2.231 20 10 DECDMP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894016326 636093254 /nfs/dbraw/zinc/09/32/54/636093254.db2.gz BCDSOMBRLJALPS-UHFFFAOYSA-N 2 1 314.376 2.213 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000923425524 637171329 /nfs/dbraw/zinc/17/13/29/637171329.db2.gz ZTLNPZLGLRTBLZ-GJYPPUQNSA-N 2 1 317.477 2.471 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000923425524 637171334 /nfs/dbraw/zinc/17/13/34/637171334.db2.gz ZTLNPZLGLRTBLZ-GJYPPUQNSA-N 2 1 317.477 2.471 20 10 DECDMP Cc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000839169744 637808601 /nfs/dbraw/zinc/80/86/01/637808601.db2.gz IUCRXHOPGZSBGZ-UHFFFAOYSA-N 2 1 300.406 2.025 20 10 DECDMP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000841028469 650408171 /nfs/dbraw/zinc/40/81/71/650408171.db2.gz GOESSEPSGCXNTB-UHFFFAOYSA-N 2 1 318.421 2.427 20 10 DECDMP COc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000841042159 650411571 /nfs/dbraw/zinc/41/15/71/650411571.db2.gz MASXOQIIJLHZPF-UHFFFAOYSA-N 2 1 301.390 2.065 20 10 DECDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000841039435 650411905 /nfs/dbraw/zinc/41/19/05/650411905.db2.gz OVEGETIYYDMAID-UHFFFAOYSA-N 2 1 321.440 2.414 20 10 DECDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000841086289 650426931 /nfs/dbraw/zinc/42/69/31/650426931.db2.gz HRWKDLKWYIWIND-SFHVURJKSA-N 2 1 303.450 2.130 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC000841104063 650432324 /nfs/dbraw/zinc/43/23/24/650432324.db2.gz MYFDALYZQBWBIF-GDBMZVCRSA-N 2 1 308.397 2.250 20 10 DECDMP CCN(C)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000773814836 641826180 /nfs/dbraw/zinc/82/61/80/641826180.db2.gz IAAQKEURHOLZRJ-UHFFFAOYSA-N 2 1 318.509 2.212 20 10 DECDMP C[C@H]1COCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775705757 642082759 /nfs/dbraw/zinc/08/27/59/642082759.db2.gz KXXXGDBGKJKDLJ-INIZCTEOSA-N 2 1 303.450 2.049 20 10 DECDMP CCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725649 643440897 /nfs/dbraw/zinc/44/08/97/643440897.db2.gz FGDCNUKIKVFTQT-AEFFLSMTSA-N 2 1 304.434 2.373 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904306071 643631613 /nfs/dbraw/zinc/63/16/13/643631613.db2.gz ZYVGMSLFFINWEK-IBGZPJMESA-N 2 1 317.477 2.345 20 10 DECDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843050883 650877656 /nfs/dbraw/zinc/87/76/56/650877656.db2.gz AOHCGTBWKNMBNK-GDBMZVCRSA-N 2 1 321.440 2.222 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)cc2)CC1 ZINC000816666606 647165072 /nfs/dbraw/zinc/16/50/72/647165072.db2.gz RDLXXWCQFHVCGB-GOSISDBHSA-N 2 1 317.477 2.033 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000817966321 647395722 /nfs/dbraw/zinc/39/57/22/647395722.db2.gz LJOJJAZHYAEPFG-PXAZEXFGSA-N 2 1 306.406 2.219 20 10 DECDMP CCO[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@H]1C[NH3+] ZINC000844907042 651181646 /nfs/dbraw/zinc/18/16/46/651181646.db2.gz ZIEGWOGIBNXKHE-CRAIPNDOSA-N 2 1 323.456 2.468 20 10 DECDMP CCO[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@H]1C[NH3+] ZINC000844907042 651181648 /nfs/dbraw/zinc/18/16/48/651181648.db2.gz ZIEGWOGIBNXKHE-CRAIPNDOSA-N 2 1 323.456 2.468 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])C1 ZINC000844912778 651182670 /nfs/dbraw/zinc/18/26/70/651182670.db2.gz XFWYHOUKKQGAEM-BMFZPTHFSA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2O)C1 ZINC000844912778 651182671 /nfs/dbraw/zinc/18/26/71/651182671.db2.gz XFWYHOUKKQGAEM-BMFZPTHFSA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2O)C1 ZINC000844912778 651182672 /nfs/dbraw/zinc/18/26/72/651182672.db2.gz XFWYHOUKKQGAEM-BMFZPTHFSA-N 2 1 308.397 2.392 20 10 DECDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000848526374 651467024 /nfs/dbraw/zinc/46/70/24/651467024.db2.gz YCEIDTLLJPBYCZ-QGZVFWFLSA-N 2 1 304.434 2.347 20 10 DECDMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325432 651649632 /nfs/dbraw/zinc/64/96/32/651649632.db2.gz ZNKFWTGMMAORLB-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325432 651649635 /nfs/dbraw/zinc/64/96/35/651649635.db2.gz ZNKFWTGMMAORLB-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325432 651649637 /nfs/dbraw/zinc/64/96/37/651649637.db2.gz ZNKFWTGMMAORLB-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325432 651649640 /nfs/dbraw/zinc/64/96/40/651649640.db2.gz ZNKFWTGMMAORLB-LJQANCHMSA-N 2 1 319.493 2.418 20 10 DECDMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC000850397428 651920432 /nfs/dbraw/zinc/92/04/32/651920432.db2.gz XNZBPCUMFDYBAL-MRXNPFEDSA-N 2 1 320.433 2.134 20 10 DECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565783 651953597 /nfs/dbraw/zinc/95/35/97/651953597.db2.gz HZZVGDAOSQHREQ-DOTOQJQBSA-N 2 1 317.477 2.220 20 10 DECDMP CCN(CC)c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000873218236 689186149 /nfs/dbraw/zinc/18/61/49/689186149.db2.gz ZYLCVSWOIGYDMT-UHFFFAOYSA-N 2 1 305.466 2.079 20 10 DECDMP CC[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000877691731 690193190 /nfs/dbraw/zinc/19/31/90/690193190.db2.gz UQHNOHYFARYSMF-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883033820 691416319 /nfs/dbraw/zinc/41/63/19/691416319.db2.gz DXXABDODJDXRFO-ZDUSSCGKSA-N 2 1 302.365 2.117 20 10 DECDMP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1c(O)cccc1F ZINC000886636299 692143105 /nfs/dbraw/zinc/14/31/05/692143105.db2.gz KNBZWGCBPXJHIE-UONOGXRCSA-N 2 1 311.445 2.454 20 10 DECDMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139252914 796348756 /nfs/dbraw/zinc/34/87/56/796348756.db2.gz FHBKUKPQPPONLL-BBRMVZONSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](CCO)C2)cc(C[NH+](C)C)c1O ZINC001139258184 796350206 /nfs/dbraw/zinc/35/02/06/796350206.db2.gz MLTNWQLKINJMGT-AWEZNQCLSA-N 2 1 322.449 2.057 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)cc(C[NH+](C)C)c1O ZINC001139258155 796350590 /nfs/dbraw/zinc/35/05/90/796350590.db2.gz MDCHVNNEHCQXIR-SFHVURJKSA-N 2 1 320.433 2.217 20 10 DECDMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162927 796643186 /nfs/dbraw/zinc/64/31/86/796643186.db2.gz LETFSIYSAZQXHZ-OAHLLOKOSA-N 2 1 300.358 2.455 20 10 DECDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162927 796643188 /nfs/dbraw/zinc/64/31/88/796643188.db2.gz LETFSIYSAZQXHZ-OAHLLOKOSA-N 2 1 300.358 2.455 20 10 DECDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162927 796643191 /nfs/dbraw/zinc/64/31/91/796643191.db2.gz LETFSIYSAZQXHZ-OAHLLOKOSA-N 2 1 300.358 2.455 20 10 DECDMP COC1CC[NH+](C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001203561667 800080993 /nfs/dbraw/zinc/08/09/93/800080993.db2.gz XRSXFEJVVDNOHE-UHFFFAOYSA-N 2 1 304.434 2.467 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC001203680117 800104975 /nfs/dbraw/zinc/10/49/75/800104975.db2.gz FNAJQHGAOYJYRA-INIZCTEOSA-N 2 1 300.358 2.449 20 10 DECDMP CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205788977 800421029 /nfs/dbraw/zinc/42/10/29/800421029.db2.gz UPINZCSJCXSRIA-LBPRGKRZSA-N 2 1 300.349 2.207 20 10 DECDMP CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205788977 800421033 /nfs/dbraw/zinc/42/10/33/800421033.db2.gz UPINZCSJCXSRIA-LBPRGKRZSA-N 2 1 300.349 2.207 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001206003400 800456803 /nfs/dbraw/zinc/45/68/03/800456803.db2.gz HNBXHLWOUQIBMK-QWHCGFSZSA-N 2 1 308.422 2.216 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001208617109 801035748 /nfs/dbraw/zinc/03/57/48/801035748.db2.gz MHKZOMGLKYBOJU-KRWDZBQOSA-N 2 1 317.477 2.467 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC001208617109 801035751 /nfs/dbraw/zinc/03/57/51/801035751.db2.gz MHKZOMGLKYBOJU-KRWDZBQOSA-N 2 1 317.477 2.467 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)O1 ZINC001335507285 1150438616 /nfs/dbraw/zinc/43/86/16/1150438616.db2.gz OTKCGBWHFAKKIB-JKIFEVAISA-N 2 1 321.440 2.233 20 10 DECDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)cc2O)CC1(C)C ZINC001621281522 1078171955 /nfs/dbraw/zinc/17/19/55/1078171955.db2.gz CWMFOULLRVWOFR-UHFFFAOYSA-N 2 1 311.857 2.161 20 10 DECDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116892 1066497538 /nfs/dbraw/zinc/49/75/38/1066497538.db2.gz BNCGLWWZNZBTES-RDJZCZTQSA-N 2 1 317.477 2.207 20 10 DECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001579617025 1067386468 /nfs/dbraw/zinc/38/64/68/1067386468.db2.gz KDCGJWSXBPCVPZ-UHFFFAOYSA-N 2 1 303.450 2.015 20 10 DECDMP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235194011 1084340393 /nfs/dbraw/zinc/34/03/93/1084340393.db2.gz UNARTFYCILRKDH-RTBURBONSA-N 2 1 311.473 2.427 20 10 DECDMP CC[N@H+](CCN1CCCC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235718826 1084509888 /nfs/dbraw/zinc/50/98/88/1084509888.db2.gz OFANCCNRVVSBNZ-UHFFFAOYSA-N 2 1 316.493 2.014 20 10 DECDMP CC[N@@H+](CCN1CCCC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235718826 1084509894 /nfs/dbraw/zinc/50/98/94/1084509894.db2.gz OFANCCNRVVSBNZ-UHFFFAOYSA-N 2 1 316.493 2.014 20 10 DECDMP COc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(O)cc1O ZINC001276091599 1091539104 /nfs/dbraw/zinc/53/91/04/1091539104.db2.gz UESTXFYHDJHENS-UHFFFAOYSA-N 2 1 306.406 2.024 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC001275420606 1091734214 /nfs/dbraw/zinc/73/42/14/1091734214.db2.gz ZIJUNBDWSVFQTL-IBGZPJMESA-N 2 1 315.461 2.433 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC001275420606 1091734227 /nfs/dbraw/zinc/73/42/27/1091734227.db2.gz ZIJUNBDWSVFQTL-IBGZPJMESA-N 2 1 315.461 2.433 20 10 DECDMP CN1CCOc2cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001275420606 1091734237 /nfs/dbraw/zinc/73/42/37/1091734237.db2.gz ZIJUNBDWSVFQTL-IBGZPJMESA-N 2 1 315.461 2.433 20 10 DECDMP CN1CCOc2cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001275420606 1091734248 /nfs/dbraw/zinc/73/42/48/1091734248.db2.gz ZIJUNBDWSVFQTL-IBGZPJMESA-N 2 1 315.461 2.433 20 10 DECDMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001275968561 1092398162 /nfs/dbraw/zinc/39/81/62/1092398162.db2.gz CIXUMNYHOSQXLE-ROUUACIJSA-N 2 1 317.477 2.219 20 10 DECDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)cc(OC)c3O)C[C@@H]2C1 ZINC001237683177 1138755839 /nfs/dbraw/zinc/75/58/39/1138755839.db2.gz FQFDAXVCYZHBLS-GJZGRUSLSA-N 2 1 320.433 2.183 20 10 DECDMP CCOc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246950484 1141166856 /nfs/dbraw/zinc/16/68/56/1141166856.db2.gz VSRIDOWYWFPDTD-BYICEURKSA-N 2 1 315.461 2.490 20 10 DECDMP C[N@H+]1CCC[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001254510813 1143161540 /nfs/dbraw/zinc/16/15/40/1143161540.db2.gz YCSJIKIUHLYWQZ-QGZVFWFLSA-N 2 1 317.477 2.431 20 10 DECDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1O ZINC000289373561 131380023 /nfs/dbraw/zinc/38/00/23/131380023.db2.gz BMJVXJUWOOHZKJ-QGZVFWFLSA-N 2 1 305.466 2.240 20 10 DECDMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355523 402861778 /nfs/dbraw/zinc/86/17/78/402861778.db2.gz ZDLVOYJYOANBMB-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355523 402861780 /nfs/dbraw/zinc/86/17/80/402861780.db2.gz ZDLVOYJYOANBMB-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355523 402861783 /nfs/dbraw/zinc/86/17/83/402861783.db2.gz ZDLVOYJYOANBMB-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP COc1cc(O)c(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000281375766 403066850 /nfs/dbraw/zinc/06/68/50/403066850.db2.gz VVHMFEFKTGFZIO-UHFFFAOYSA-N 2 1 308.422 2.327 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000281375766 403066852 /nfs/dbraw/zinc/06/68/52/403066852.db2.gz VVHMFEFKTGFZIO-UHFFFAOYSA-N 2 1 308.422 2.327 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000073381022 633100929 /nfs/dbraw/zinc/10/09/29/633100929.db2.gz LBEWFTVJQZLUSV-UHFFFAOYSA-N 2 1 315.461 2.240 20 10 DECDMP COc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000237127008 636620339 /nfs/dbraw/zinc/62/03/39/636620339.db2.gz CZJIIXIMWQDWSO-UHFFFAOYSA-N 2 1 305.466 2.121 20 10 DECDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c1OC ZINC000894497110 637069190 /nfs/dbraw/zinc/06/91/90/637069190.db2.gz UHQUYQFFXNXYAZ-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c1OC ZINC000894497110 637069195 /nfs/dbraw/zinc/06/91/95/637069195.db2.gz UHQUYQFFXNXYAZ-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(O)c1OC ZINC000894497110 637069203 /nfs/dbraw/zinc/06/92/03/637069203.db2.gz UHQUYQFFXNXYAZ-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(O)c1OC ZINC000894497110 637069206 /nfs/dbraw/zinc/06/92/06/637069206.db2.gz UHQUYQFFXNXYAZ-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3CO)cc2)CC1 ZINC000895150036 637671551 /nfs/dbraw/zinc/67/15/51/637671551.db2.gz GJBGGUWJBSOZCF-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP COc1ccc(N2CCC([NH2+]CCn3cc[nH+]c3C)CC2)cc1 ZINC000765516199 640788302 /nfs/dbraw/zinc/78/83/02/640788302.db2.gz TWZNMFWDLOKWMZ-UHFFFAOYSA-N 2 1 314.433 2.459 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCOC1 ZINC000775653227 642073336 /nfs/dbraw/zinc/07/33/36/642073336.db2.gz AHGFCFPORZJMBA-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000902518702 643063670 /nfs/dbraw/zinc/06/36/70/643063670.db2.gz TZYVUBSEGGPZAM-RYRKJORJSA-N 2 1 304.482 2.215 20 10 DECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441079 643349945 /nfs/dbraw/zinc/34/99/45/643349945.db2.gz IZBIYFRTFMCNGX-SJORKVTESA-N 2 1 303.450 2.082 20 10 DECDMP C[C@]1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000843114861 650898159 /nfs/dbraw/zinc/89/81/59/650898159.db2.gz IOGMYOAMEVMOJH-AEFFLSMTSA-N 2 1 304.434 2.373 20 10 DECDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843124016 650900337 /nfs/dbraw/zinc/90/03/37/650900337.db2.gz UCCGEFLOSUEFDS-KRWDZBQOSA-N 2 1 303.450 2.227 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCO2 ZINC000843126623 650902228 /nfs/dbraw/zinc/90/22/28/650902228.db2.gz MDCDIUCDCKPVTM-KBPBESRZSA-N 2 1 318.417 2.333 20 10 DECDMP COc1c(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000843127169 650902302 /nfs/dbraw/zinc/90/23/02/650902302.db2.gz ABMARJKNTLNYOA-UHFFFAOYSA-N 2 1 317.345 2.058 20 10 DECDMP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000817943001 647388697 /nfs/dbraw/zinc/38/86/97/647388697.db2.gz SMOKHZLRYOFGDF-MKXGPGLRSA-N 2 1 316.493 2.215 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817959179 647393967 /nfs/dbraw/zinc/39/39/67/647393967.db2.gz COXGWTBXOXLETI-LNSITVRQSA-N 2 1 306.406 2.347 20 10 DECDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965482 647395653 /nfs/dbraw/zinc/39/56/53/647395653.db2.gz RMBMMXNUDQVWEW-MLGOLLRUSA-N 2 1 307.413 2.050 20 10 DECDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000824815277 648656643 /nfs/dbraw/zinc/65/66/43/648656643.db2.gz KXJZVENVWDKMAM-LPHOPBHVSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1O ZINC000185367471 649511367 /nfs/dbraw/zinc/51/13/67/649511367.db2.gz LWRIKPBOOOAYCF-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000844902298 651180967 /nfs/dbraw/zinc/18/09/67/651180967.db2.gz PALOPAKRFDGCCH-HZPDHXFCSA-N 2 1 305.466 2.451 20 10 DECDMP COc1cccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000846145233 651310665 /nfs/dbraw/zinc/31/06/65/651310665.db2.gz MIBNWGCEFRLJCZ-OAHLLOKOSA-N 2 1 321.465 2.079 20 10 DECDMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776845 651350884 /nfs/dbraw/zinc/35/08/84/651350884.db2.gz ZILLAAXVEUMCAC-GOSISDBHSA-N 2 1 307.482 2.276 20 10 DECDMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776845 651350885 /nfs/dbraw/zinc/35/08/85/651350885.db2.gz ZILLAAXVEUMCAC-GOSISDBHSA-N 2 1 307.482 2.276 20 10 DECDMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776845 651350886 /nfs/dbraw/zinc/35/08/86/651350886.db2.gz ZILLAAXVEUMCAC-GOSISDBHSA-N 2 1 307.482 2.276 20 10 DECDMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776845 651350887 /nfs/dbraw/zinc/35/08/87/651350887.db2.gz ZILLAAXVEUMCAC-GOSISDBHSA-N 2 1 307.482 2.276 20 10 DECDMP CCc1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1O ZINC000848895014 651549383 /nfs/dbraw/zinc/54/93/83/651549383.db2.gz KCFINDMNFUFIEP-UHFFFAOYSA-N 2 1 319.493 2.318 20 10 DECDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000849350223 651655886 /nfs/dbraw/zinc/65/58/86/651655886.db2.gz VBUKUUJRYLVTBZ-UHFFFAOYSA-N 2 1 307.413 2.023 20 10 DECDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000876810937 689943874 /nfs/dbraw/zinc/94/38/74/689943874.db2.gz FGQFEIZJPTUECE-XYJFISCASA-N 2 1 304.434 2.384 20 10 DECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001169081603 785036519 /nfs/dbraw/zinc/03/65/19/785036519.db2.gz UHDPOGLCPRIYCJ-GGPHIMKMSA-N 2 1 315.461 2.238 20 10 DECDMP CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206536081 795735871 /nfs/dbraw/zinc/73/58/71/795735871.db2.gz XZGCQMSFSWBEOO-NHYWBVRUSA-N 2 1 312.841 2.095 20 10 DECDMP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206536081 795735875 /nfs/dbraw/zinc/73/58/75/795735875.db2.gz XZGCQMSFSWBEOO-NHYWBVRUSA-N 2 1 312.841 2.095 20 10 DECDMP CCC[N@@H+](CCOC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253541 796349743 /nfs/dbraw/zinc/34/97/43/796349743.db2.gz XRHUYNVZPVHFFT-UHFFFAOYSA-N 2 1 310.438 2.321 20 10 DECDMP CCCO[C@@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257257 796350562 /nfs/dbraw/zinc/35/05/62/796350562.db2.gz WDBSPDAWYYGFBP-MRXNPFEDSA-N 2 1 322.449 2.463 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCOCC3)cc2)CC1 ZINC001140299611 796502603 /nfs/dbraw/zinc/50/26/03/796502603.db2.gz BTEGTLDXCTVISD-UHFFFAOYSA-N 2 1 303.450 2.051 20 10 DECDMP CN1CCOc2cc(C[N@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC001141142913 796639152 /nfs/dbraw/zinc/63/91/52/796639152.db2.gz GGEQFRYHYULNRT-UHFFFAOYSA-N 2 1 303.450 2.433 20 10 DECDMP CN1CCOc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC001141142913 796639153 /nfs/dbraw/zinc/63/91/53/796639153.db2.gz GGEQFRYHYULNRT-UHFFFAOYSA-N 2 1 303.450 2.433 20 10 DECDMP Cc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1O ZINC001231593198 801692152 /nfs/dbraw/zinc/69/21/52/801692152.db2.gz SKOZLSHPPZYZIQ-UHFFFAOYSA-N 2 1 303.406 2.331 20 10 DECDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(O)cc1O ZINC001231637359 801700256 /nfs/dbraw/zinc/70/02/56/801700256.db2.gz KHVYHHUIKPMHAE-UHFFFAOYSA-N 2 1 306.406 2.024 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2F)CC1 ZINC001343158902 1150700301 /nfs/dbraw/zinc/70/03/01/1150700301.db2.gz AJUKMNBJKZOFDD-INIZCTEOSA-N 2 1 319.424 2.360 20 10 DECDMP CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327254976 1148405587 /nfs/dbraw/zinc/40/55/87/1148405587.db2.gz PWIKOHYYVHGMGH-INIZCTEOSA-N 2 1 323.456 2.074 20 10 DECDMP COc1cc(C)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(O)c1 ZINC001621407338 1078174239 /nfs/dbraw/zinc/17/42/39/1078174239.db2.gz VLHYXAJWFAPMGM-UHFFFAOYSA-N 2 1 320.433 2.006 20 10 DECDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H](C)O ZINC001655688262 1080011737 /nfs/dbraw/zinc/01/17/37/1080011737.db2.gz WEWJCHSYKLYQQY-CABCVRRESA-N 2 1 323.456 2.074 20 10 DECDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1OC ZINC001276790350 1083612509 /nfs/dbraw/zinc/61/25/09/1083612509.db2.gz RBQHQZBDABSCML-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP COc1cc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1OC ZINC001276790350 1083612515 /nfs/dbraw/zinc/61/25/15/1083612515.db2.gz RBQHQZBDABSCML-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP COc1cc(O)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1OC ZINC001276790350 1083612523 /nfs/dbraw/zinc/61/25/23/1083612523.db2.gz RBQHQZBDABSCML-OKILXGFUSA-N 2 1 320.433 2.183 20 10 DECDMP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235185431 1084339006 /nfs/dbraw/zinc/33/90/06/1084339006.db2.gz UNARTFYCILRKDH-MOPGFXCFSA-N 2 1 311.473 2.427 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC001275420608 1091734790 /nfs/dbraw/zinc/73/47/90/1091734790.db2.gz ZIJUNBDWSVFQTL-LJQANCHMSA-N 2 1 315.461 2.433 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC001275420608 1091734794 /nfs/dbraw/zinc/73/47/94/1091734794.db2.gz ZIJUNBDWSVFQTL-LJQANCHMSA-N 2 1 315.461 2.433 20 10 DECDMP CN1CCOc2cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001275420608 1091734801 /nfs/dbraw/zinc/73/48/01/1091734801.db2.gz ZIJUNBDWSVFQTL-LJQANCHMSA-N 2 1 315.461 2.433 20 10 DECDMP CN1CCOc2cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001275420608 1091734805 /nfs/dbraw/zinc/73/48/05/1091734805.db2.gz ZIJUNBDWSVFQTL-LJQANCHMSA-N 2 1 315.461 2.433 20 10 DECDMP Cc1cc(F)cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1O ZINC001238062078 1138819154 /nfs/dbraw/zinc/81/91/54/1138819154.db2.gz UCMHPDXHIPVULJ-UHFFFAOYSA-N 2 1 321.396 2.470 20 10 DECDMP CCOCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320180582 1140835390 /nfs/dbraw/zinc/83/53/90/1140835390.db2.gz RJAVMHYYFILJCO-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP CCOCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320180582 1140835391 /nfs/dbraw/zinc/83/53/91/1140835391.db2.gz RJAVMHYYFILJCO-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP Cc1cc(N2CCC([NH2+]Cc3ccc(N)cc3)CC2)nc(C)[nH+]1 ZINC001262488265 1144315662 /nfs/dbraw/zinc/31/56/62/1144315662.db2.gz WNEGVPGDVZOORW-UHFFFAOYSA-N 2 1 311.433 2.434 20 10 DECDMP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000378371935 533484822 /nfs/dbraw/zinc/48/48/22/533484822.db2.gz QOHZDQKTHYMCEC-YQQAZPJKSA-N 2 1 320.433 2.084 20 10 DECDMP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185345119 402346149 /nfs/dbraw/zinc/34/61/49/402346149.db2.gz BWASJZQMCQFWHE-LSDHHAIUSA-N 2 1 323.456 2.456 20 10 DECDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3O)OCO4)CC[C@@H]21 ZINC000164614473 402465837 /nfs/dbraw/zinc/46/58/37/402465837.db2.gz LOKKOGJSWTXKRZ-JSGCOSHPSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]21 ZINC000164614473 402465840 /nfs/dbraw/zinc/46/58/40/402465840.db2.gz LOKKOGJSWTXKRZ-JSGCOSHPSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]21 ZINC000164614473 402465842 /nfs/dbraw/zinc/46/58/42/402465842.db2.gz LOKKOGJSWTXKRZ-JSGCOSHPSA-N 2 1 304.390 2.037 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000179733945 402599200 /nfs/dbraw/zinc/59/92/00/402599200.db2.gz OXXLNWBYAZSVHM-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP COc1cc(O)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000179733945 402599201 /nfs/dbraw/zinc/59/92/01/402599201.db2.gz OXXLNWBYAZSVHM-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP COc1cc(O)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000179733945 402599203 /nfs/dbraw/zinc/59/92/03/402599203.db2.gz OXXLNWBYAZSVHM-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000172957600 402680578 /nfs/dbraw/zinc/68/05/78/402680578.db2.gz ZMOBPJKSWVGDQE-AWEZNQCLSA-N 2 1 318.417 2.429 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000172957600 402680580 /nfs/dbraw/zinc/68/05/80/402680580.db2.gz ZMOBPJKSWVGDQE-AWEZNQCLSA-N 2 1 318.417 2.429 20 10 DECDMP COc1c(O)c(C[NH2+]CCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278907750 402884221 /nfs/dbraw/zinc/88/42/21/402884221.db2.gz SBFAWEZWOMXCIJ-UHFFFAOYSA-N 2 1 323.393 2.131 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1 ZINC000269367548 403133897 /nfs/dbraw/zinc/13/38/97/403133897.db2.gz RNTOHIXHCZJAHY-UHFFFAOYSA-N 2 1 319.493 2.421 20 10 DECDMP CCN(CC)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000269367548 403133900 /nfs/dbraw/zinc/13/39/00/403133900.db2.gz RNTOHIXHCZJAHY-UHFFFAOYSA-N 2 1 319.493 2.421 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000269367548 403133901 /nfs/dbraw/zinc/13/39/01/403133901.db2.gz RNTOHIXHCZJAHY-UHFFFAOYSA-N 2 1 319.493 2.421 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277457077 403219606 /nfs/dbraw/zinc/21/96/06/403219606.db2.gz LDZBCNXWODHMEP-AWEZNQCLSA-N 2 1 308.422 2.326 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277457077 403219608 /nfs/dbraw/zinc/21/96/08/403219608.db2.gz LDZBCNXWODHMEP-AWEZNQCLSA-N 2 1 308.422 2.326 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145925 225336667 /nfs/dbraw/zinc/33/66/67/225336667.db2.gz IWIGJSKJOYBDGF-WBVHZDCISA-N 2 1 303.450 2.096 20 10 DECDMP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000368330412 227008619 /nfs/dbraw/zinc/00/86/19/227008619.db2.gz VWPOXEJDURMZJQ-ZFWWWQNUSA-N 2 1 321.440 2.350 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000369547623 227035118 /nfs/dbraw/zinc/03/51/18/227035118.db2.gz GKMIARRXQUELIH-GOSISDBHSA-N 2 1 317.477 2.221 20 10 DECDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106262 624784152 /nfs/dbraw/zinc/78/41/52/624784152.db2.gz UYZLKERKFNYICO-GXTWGEPZSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106262 624784154 /nfs/dbraw/zinc/78/41/54/624784154.db2.gz UYZLKERKFNYICO-GXTWGEPZSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106262 624784157 /nfs/dbraw/zinc/78/41/57/624784157.db2.gz UYZLKERKFNYICO-GXTWGEPZSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000892106262 624784158 /nfs/dbraw/zinc/78/41/58/624784158.db2.gz UYZLKERKFNYICO-GXTWGEPZSA-N 2 1 308.422 2.324 20 10 DECDMP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841746659 640493240 /nfs/dbraw/zinc/49/32/40/640493240.db2.gz JVNCUTNDKVIFQM-QWHCGFSZSA-N 2 1 311.857 2.332 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000770352047 641358404 /nfs/dbraw/zinc/35/84/04/641358404.db2.gz XKQFHGLOXFMXLT-QIIPPGSGSA-N 2 1 320.433 2.084 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000775653258 642073173 /nfs/dbraw/zinc/07/31/73/642073173.db2.gz BJZXWZCHNCQRAN-JKSUJKDBSA-N 2 1 303.450 2.048 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000902519422 643063450 /nfs/dbraw/zinc/06/34/50/643063450.db2.gz ZEKHHOUIAMJKOD-WDSOQIARSA-N 2 1 318.509 2.462 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000843044728 650875859 /nfs/dbraw/zinc/87/58/59/650875859.db2.gz GJNBIQWHYDLHJU-ZFWWWQNUSA-N 2 1 320.433 2.373 20 10 DECDMP CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052709 650878673 /nfs/dbraw/zinc/87/86/73/650878673.db2.gz RRKKZGMAGZFEPE-RDJZCZTQSA-N 2 1 321.440 2.222 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052709 650878677 /nfs/dbraw/zinc/87/86/77/650878677.db2.gz RRKKZGMAGZFEPE-RDJZCZTQSA-N 2 1 321.440 2.222 20 10 DECDMP [NH3+]CCC[N@H+](Cc1cc2c(cc1O)OCO2)CC1CCCC1 ZINC000843124264 650901462 /nfs/dbraw/zinc/90/14/62/650901462.db2.gz WOSMHFPVGAUAGC-UHFFFAOYSA-N 2 1 306.406 2.462 20 10 DECDMP CCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(O)c1 ZINC000843431337 650973781 /nfs/dbraw/zinc/97/37/81/650973781.db2.gz BWYFLHZXDVPJKH-UHFFFAOYSA-N 2 1 320.433 2.088 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000817966324 647396091 /nfs/dbraw/zinc/39/60/91/647396091.db2.gz LJOJJAZHYAEPFG-YVEFUNNKSA-N 2 1 306.406 2.219 20 10 DECDMP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc2c1OCC2 ZINC000733329343 649543828 /nfs/dbraw/zinc/54/38/28/649543828.db2.gz QOYKEHVSUSEXGD-SFHVURJKSA-N 2 1 316.445 2.355 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000844901398 651180758 /nfs/dbraw/zinc/18/07/58/651180758.db2.gz FAPFRDLZEUGROB-YXJHDRRASA-N 2 1 304.434 2.419 20 10 DECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1O ZINC000844910001 651182243 /nfs/dbraw/zinc/18/22/43/651182243.db2.gz FXIVSAOUCPCGAH-INMHGKMJSA-N 2 1 320.433 2.262 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])C1 ZINC000844912784 651182585 /nfs/dbraw/zinc/18/25/85/651182585.db2.gz XFWYHOUKKQGAEM-VNQPRFMTSA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2O)C1 ZINC000844912784 651182586 /nfs/dbraw/zinc/18/25/86/651182586.db2.gz XFWYHOUKKQGAEM-VNQPRFMTSA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2O)C1 ZINC000844912784 651182587 /nfs/dbraw/zinc/18/25/87/651182587.db2.gz XFWYHOUKKQGAEM-VNQPRFMTSA-N 2 1 308.397 2.392 20 10 DECDMP COc1ccc(N2CCC([NH2+]CCC[NH+]3CCC3)CC2)cc1 ZINC000848545101 651469207 /nfs/dbraw/zinc/46/92/07/651469207.db2.gz RJQLIVRROIWZTC-UHFFFAOYSA-N 2 1 303.450 2.349 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000850347714 651905771 /nfs/dbraw/zinc/90/57/71/651905771.db2.gz WLXFQKGKMKVLAM-XYJFISCASA-N 2 1 315.461 2.490 20 10 DECDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000876810931 689944316 /nfs/dbraw/zinc/94/43/16/689944316.db2.gz FGQFEIZJPTUECE-LZLYRXPVSA-N 2 1 304.434 2.384 20 10 DECDMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC000877031307 690001874 /nfs/dbraw/zinc/00/18/74/690001874.db2.gz POLPJDCEUKQLJA-QGZVFWFLSA-N 2 1 304.434 2.434 20 10 DECDMP COc1cc(C[N@@H+](C)[C@@H]2CCCOC2)cc(C[NH+](C)C)c1O ZINC001139260958 796350979 /nfs/dbraw/zinc/35/09/79/796350979.db2.gz QOHABPNTTIJHRL-OAHLLOKOSA-N 2 1 308.422 2.073 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccncc4C3)cc2)CC1 ZINC001139409784 796371777 /nfs/dbraw/zinc/37/17/77/796371777.db2.gz SDGQQNJUKVXKML-UHFFFAOYSA-N 2 1 322.456 2.392 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC001140304674 796503468 /nfs/dbraw/zinc/50/34/68/796503468.db2.gz XZJBGXIKFTUCTE-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205239476 800327696 /nfs/dbraw/zinc/32/76/96/800327696.db2.gz BZOJCXPXPBDSST-CQSZACIVSA-N 2 1 318.339 2.087 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205239476 800327704 /nfs/dbraw/zinc/32/77/04/800327704.db2.gz BZOJCXPXPBDSST-CQSZACIVSA-N 2 1 318.339 2.087 20 10 DECDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233013400 802002124 /nfs/dbraw/zinc/00/21/24/802002124.db2.gz QGEXOTNVAACUTB-UHFFFAOYSA-N 2 1 308.422 2.356 20 10 DECDMP COCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657043364 1080149467 /nfs/dbraw/zinc/14/94/67/1080149467.db2.gz RCCXXPLUAKOAAK-CQSZACIVSA-N 2 1 309.429 2.092 20 10 DECDMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(O)c1 ZINC001276366089 1085961832 /nfs/dbraw/zinc/96/18/32/1085961832.db2.gz ZDSIYEUKJHRDBH-FUHWJXTLSA-N 2 1 317.477 2.077 20 10 DECDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275267589 1091645367 /nfs/dbraw/zinc/64/53/67/1091645367.db2.gz SFFVMTALQISHFY-ALOPSCKCSA-N 2 1 303.450 2.039 20 10 DECDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001275267589 1091645372 /nfs/dbraw/zinc/64/53/72/1091645372.db2.gz SFFVMTALQISHFY-ALOPSCKCSA-N 2 1 303.450 2.039 20 10 DECDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275267589 1091645376 /nfs/dbraw/zinc/64/53/76/1091645376.db2.gz SFFVMTALQISHFY-ALOPSCKCSA-N 2 1 303.450 2.039 20 10 DECDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)cc1O ZINC001275271091 1091646650 /nfs/dbraw/zinc/64/66/50/1091646650.db2.gz JWFCUWGXBNJPQR-HOTGVXAUSA-N 2 1 323.868 2.256 20 10 DECDMP COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1O ZINC001236321406 1138351884 /nfs/dbraw/zinc/35/18/84/1138351884.db2.gz QQGOCGBBTOUBPR-TXEJJXNPSA-N 2 1 310.825 2.486 20 10 DECDMP CCc1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)c(O)c1 ZINC001236788692 1138428316 /nfs/dbraw/zinc/42/83/16/1138428316.db2.gz NJTNZCWQTQSQIN-UHFFFAOYSA-N 2 1 322.449 2.271 20 10 DECDMP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001256620734 1143857727 /nfs/dbraw/zinc/85/77/27/1143857727.db2.gz BGEWVARYFFTTSN-JWTNVVGKSA-N 2 1 315.461 2.442 20 10 DECDMP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001256620734 1143857728 /nfs/dbraw/zinc/85/77/28/1143857728.db2.gz BGEWVARYFFTTSN-JWTNVVGKSA-N 2 1 315.461 2.442 20 10 DECDMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324976684 1147863906 /nfs/dbraw/zinc/86/39/06/1147863906.db2.gz RKYPBNDZBSJUHL-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624972 529980248 /nfs/dbraw/zinc/98/02/48/529980248.db2.gz JYXMYMQZHKWXBV-QGZVFWFLSA-N 2 1 321.440 2.132 20 10 DECDMP CN(C)c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000289364868 131379084 /nfs/dbraw/zinc/37/90/84/131379084.db2.gz HSHQJGHWKWRMDW-UHFFFAOYSA-N 2 1 306.498 2.068 20 10 DECDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297847787 132036508 /nfs/dbraw/zinc/03/65/08/132036508.db2.gz SSAUIRVUYZBTSH-QGZVFWFLSA-N 2 1 317.477 2.243 20 10 DECDMP COc1ccc(C[N@@H+](C)CCCn2ccnc2)c(O)c1OC ZINC000894475334 637060868 /nfs/dbraw/zinc/06/08/68/637060868.db2.gz CZQZODIHASIQIW-UHFFFAOYSA-N 2 1 305.378 2.128 20 10 DECDMP CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895928977 638270931 /nfs/dbraw/zinc/27/09/31/638270931.db2.gz WREKOUOBBVWKOV-QFBILLFUSA-N 2 1 317.477 2.438 20 10 DECDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841087037 650428025 /nfs/dbraw/zinc/42/80/25/650428025.db2.gz IGQZRCPRLLFUDC-MRXNPFEDSA-N 2 1 309.429 2.125 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccn1 ZINC000757890680 639892722 /nfs/dbraw/zinc/89/27/22/639892722.db2.gz SMAQOZOSPXLQFY-UHFFFAOYSA-N 2 1 310.445 2.465 20 10 DECDMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000841004125 640566140 /nfs/dbraw/zinc/56/61/40/640566140.db2.gz MOFSNAPFGONOJZ-AEFFLSMTSA-N 2 1 317.477 2.343 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000775661608 642074199 /nfs/dbraw/zinc/07/41/99/642074199.db2.gz ONRGMTHWTOBKLJ-LPHOPBHVSA-N 2 1 317.477 2.438 20 10 DECDMP CC[C@]1(C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000785985969 643308063 /nfs/dbraw/zinc/30/80/63/643308063.db2.gz YTPADKTYTAUZSG-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP CC[C@@]1(C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000785985967 643308871 /nfs/dbraw/zinc/30/88/71/643308871.db2.gz YTPADKTYTAUZSG-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000843050852 650877489 /nfs/dbraw/zinc/87/74/89/650877489.db2.gz AIDWSQGBJYEVEG-MAUKXSAKSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000843050852 650877492 /nfs/dbraw/zinc/87/74/92/650877492.db2.gz AIDWSQGBJYEVEG-MAUKXSAKSA-N 2 1 303.450 2.082 20 10 DECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000843431398 650973641 /nfs/dbraw/zinc/97/36/41/650973641.db2.gz FRFVGOKQWXLZMZ-UHFFFAOYSA-N 2 1 317.477 2.358 20 10 DECDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC000843432472 650974301 /nfs/dbraw/zinc/97/43/01/650974301.db2.gz XHMIFBHHPCWTCM-UHFFFAOYSA-N 2 1 310.825 2.342 20 10 DECDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC000843432472 650974304 /nfs/dbraw/zinc/97/43/04/650974304.db2.gz XHMIFBHHPCWTCM-UHFFFAOYSA-N 2 1 310.825 2.342 20 10 DECDMP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087898 645096233 /nfs/dbraw/zinc/09/62/33/645096233.db2.gz XQAMNJQDGOKHJS-SFHVURJKSA-N 2 1 303.450 2.145 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000817946883 647390774 /nfs/dbraw/zinc/39/07/74/647390774.db2.gz HECILNILXWAZHR-DYEKYZERSA-N 2 1 306.406 2.218 20 10 DECDMP COCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC[NH2+]CC1 ZINC000817975007 647397625 /nfs/dbraw/zinc/39/76/25/647397625.db2.gz PTLJYFSXTQYWPL-NSHDSACASA-N 2 1 314.376 2.337 20 10 DECDMP COCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC[NH2+]CC1 ZINC000817975006 647398065 /nfs/dbraw/zinc/39/80/65/647398065.db2.gz PTLJYFSXTQYWPL-LLVKDONJSA-N 2 1 314.376 2.337 20 10 DECDMP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917013988 647955326 /nfs/dbraw/zinc/95/53/26/647955326.db2.gz KSNMQEQREHOCSD-LJQANCHMSA-N 2 1 319.493 2.420 20 10 DECDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917013988 647955329 /nfs/dbraw/zinc/95/53/29/647955329.db2.gz KSNMQEQREHOCSD-LJQANCHMSA-N 2 1 319.493 2.420 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902208 651180960 /nfs/dbraw/zinc/18/09/60/651180960.db2.gz LBFLYGGKEWKJTL-XNRPHZJLSA-N 2 1 308.397 2.250 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902208 651180961 /nfs/dbraw/zinc/18/09/61/651180961.db2.gz LBFLYGGKEWKJTL-XNRPHZJLSA-N 2 1 308.397 2.250 20 10 DECDMP CCO[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844903932 651181301 /nfs/dbraw/zinc/18/13/01/651181301.db2.gz SFAGUCCCJDDZSY-WXFDERKXSA-N 2 1 303.450 2.061 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000846045183 651304308 /nfs/dbraw/zinc/30/43/08/651304308.db2.gz VNMZSQHCSLIYBF-LPHOPBHVSA-N 2 1 317.477 2.438 20 10 DECDMP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791632 693343047 /nfs/dbraw/zinc/34/30/47/693343047.db2.gz MKQHDWRZSRZDRE-KBPBESRZSA-N 2 1 320.433 2.210 20 10 DECDMP CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000913360863 781732065 /nfs/dbraw/zinc/73/20/65/781732065.db2.gz GHHAJBMLOQPGHP-IBGZPJMESA-N 2 1 319.493 2.421 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000913360863 781732070 /nfs/dbraw/zinc/73/20/70/781732070.db2.gz GHHAJBMLOQPGHP-IBGZPJMESA-N 2 1 319.493 2.421 20 10 DECDMP COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139260154 796350842 /nfs/dbraw/zinc/35/08/42/796350842.db2.gz OSCPUBIKMYSZRF-XJKSGUPXSA-N 2 1 322.449 2.462 20 10 DECDMP CN1CCN(c2ccc(CN3Cc4cccnc4C3)cc2)CC1 ZINC001139404701 796371570 /nfs/dbraw/zinc/37/15/70/796371570.db2.gz WHNROQYXJWBGTF-UHFFFAOYSA-N 2 1 308.429 2.349 20 10 DECDMP C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407745 796372023 /nfs/dbraw/zinc/37/20/23/796372023.db2.gz CCTSJDNVBVXGMD-SJLPKXTDSA-N 2 1 317.477 2.031 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C1COC1 ZINC001140304057 796504124 /nfs/dbraw/zinc/50/41/24/796504124.db2.gz GPPKMZWHVMYOSO-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+](C3CC3)C3COC3)cc2)CC1 ZINC001140306577 796505159 /nfs/dbraw/zinc/50/51/59/796505159.db2.gz UJORNBFBFMKQPX-UHFFFAOYSA-N 2 1 315.461 2.192 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)C3COC3)cc2)CC1 ZINC001140306577 796505163 /nfs/dbraw/zinc/50/51/63/796505163.db2.gz UJORNBFBFMKQPX-UHFFFAOYSA-N 2 1 315.461 2.192 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001205247150 800328379 /nfs/dbraw/zinc/32/83/79/800328379.db2.gz BQLQWNISKLMPQG-GOSISDBHSA-N 2 1 300.402 2.221 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205274039 800334806 /nfs/dbraw/zinc/33/48/06/800334806.db2.gz SIPNZGYZQSVCHX-SFHVURJKSA-N 3 1 321.465 2.166 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205274039 800334813 /nfs/dbraw/zinc/33/48/13/800334813.db2.gz SIPNZGYZQSVCHX-SFHVURJKSA-N 3 1 321.465 2.166 20 10 DECDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205274702 800335063 /nfs/dbraw/zinc/33/50/63/800335063.db2.gz ZZQVWGNMUPBTFC-IBGZPJMESA-N 2 1 317.477 2.351 20 10 DECDMP COc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC001621448408 1078174997 /nfs/dbraw/zinc/17/49/97/1078174997.db2.gz WMTFQJHYRKIDFL-OAHLLOKOSA-N 2 1 320.433 2.052 20 10 DECDMP CCOc1ccc(C[N@@H+](CCOC)C2CCN(C)CC2)c(O)c1 ZINC001237041924 1138486781 /nfs/dbraw/zinc/48/67/81/1138486781.db2.gz QKBKKDWBCWULRU-UHFFFAOYSA-N 2 1 322.449 2.334 20 10 DECDMP COC(=O)Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(O)c1 ZINC001249201554 1141859162 /nfs/dbraw/zinc/85/91/62/1141859162.db2.gz XQNINYIVQKIJHM-UHFFFAOYSA-N 2 1 320.433 2.025 20 10 DECDMP CC[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001323936396 1141908721 /nfs/dbraw/zinc/90/87/21/1141908721.db2.gz RVTRXRVYATVCED-OAHLLOKOSA-N 2 1 309.429 2.092 20 10 DECDMP CC[C@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341802168 1143712177 /nfs/dbraw/zinc/71/21/77/1143712177.db2.gz JAUKECSDNCFZJL-OAHLLOKOSA-N 2 1 309.429 2.092 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000179733959 402598724 /nfs/dbraw/zinc/59/87/24/402598724.db2.gz OXXLNWBYAZSVHM-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP COc1cc(O)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000179733959 402598727 /nfs/dbraw/zinc/59/87/27/402598727.db2.gz OXXLNWBYAZSVHM-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP COc1cc(O)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000179733959 402598729 /nfs/dbraw/zinc/59/87/29/402598729.db2.gz OXXLNWBYAZSVHM-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1O ZINC000282484278 403155660 /nfs/dbraw/zinc/15/56/60/403155660.db2.gz XDRFQKSXTMSHPM-INIZCTEOSA-N 2 1 305.466 2.459 20 10 DECDMP COc1ccc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000270666736 403210797 /nfs/dbraw/zinc/21/07/97/403210797.db2.gz RJVFVOYBQYWWRM-UHFFFAOYSA-N 2 1 314.433 2.412 20 10 DECDMP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000186605607 278362717 /nfs/dbraw/zinc/36/27/17/278362717.db2.gz YPFXRFNXLQZLCT-UONOGXRCSA-N 2 1 309.429 2.208 20 10 DECDMP CCO[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C[NH3+] ZINC001349521868 1151257314 /nfs/dbraw/zinc/25/73/14/1151257314.db2.gz BOOZGKGTRYQERF-SJLPKXTDSA-N 2 1 303.450 2.082 20 10 DECDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000185366748 333207759 /nfs/dbraw/zinc/20/77/59/333207759.db2.gz MAKDJQOHUFLLLU-MRXNPFEDSA-N 2 1 305.466 2.379 20 10 DECDMP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(O)c1 ZINC000185367216 333207821 /nfs/dbraw/zinc/20/78/21/333207821.db2.gz QOTOEGXAVSIULT-INIZCTEOSA-N 2 1 305.466 2.379 20 10 DECDMP Cc1cc(O)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1C ZINC000841087692 650427825 /nfs/dbraw/zinc/42/78/25/650427825.db2.gz QOGTYWKXUKCYSW-UHFFFAOYSA-N 2 1 317.477 2.315 20 10 DECDMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000762484811 640431744 /nfs/dbraw/zinc/43/17/44/640431744.db2.gz WJGDMSNNLCITHS-HNNXBMFYSA-N 2 1 322.449 2.381 20 10 DECDMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000762484811 640431749 /nfs/dbraw/zinc/43/17/49/640431749.db2.gz WJGDMSNNLCITHS-HNNXBMFYSA-N 2 1 322.449 2.381 20 10 DECDMP CC[C@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775656443 642074010 /nfs/dbraw/zinc/07/40/10/642074010.db2.gz URNKWIBVTAMVFL-KRWDZBQOSA-N 2 1 303.450 2.049 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC4(CC4)C3)cc2)CC1 ZINC000783598887 643025194 /nfs/dbraw/zinc/02/51/94/643025194.db2.gz CVEWOQYYIQGTCY-UHFFFAOYSA-N 2 1 315.461 2.051 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043951 650875733 /nfs/dbraw/zinc/87/57/33/650875733.db2.gz RGPIZMHHNBJENW-UHFFFAOYSA-N 2 1 315.461 2.240 20 10 DECDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843122457 650900371 /nfs/dbraw/zinc/90/03/71/650900371.db2.gz CWEPIMVQCDALBT-MRXNPFEDSA-N 2 1 321.440 2.366 20 10 DECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000809750290 646275802 /nfs/dbraw/zinc/27/58/02/646275802.db2.gz SSCLPIXEICOZIE-UHFFFAOYSA-N 2 1 305.466 2.297 20 10 DECDMP CCN1CCN(c2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000817902071 647377028 /nfs/dbraw/zinc/37/70/28/647377028.db2.gz HRUFYMAAMYDCQB-HUUCEWRRSA-N 2 1 322.472 2.183 20 10 DECDMP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000817943003 647388715 /nfs/dbraw/zinc/38/87/15/647388715.db2.gz SMOKHZLRYOFGDF-NCXUSEDFSA-N 2 1 316.493 2.215 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817959177 647394004 /nfs/dbraw/zinc/39/40/04/647394004.db2.gz COXGWTBXOXLETI-CORIIIEPSA-N 2 1 306.406 2.347 20 10 DECDMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825108626 648704778 /nfs/dbraw/zinc/70/47/78/648704778.db2.gz XLAYBTSADKEROP-UHFFFAOYSA-N 2 1 300.830 2.412 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071939945 649243854 /nfs/dbraw/zinc/24/38/54/649243854.db2.gz AJNKGKUHCWTEIB-KRWDZBQOSA-N 2 1 315.461 2.097 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000844923687 651183694 /nfs/dbraw/zinc/18/36/94/651183694.db2.gz HHMFDUNGKZSBOM-LBPRGKRZSA-N 2 1 306.406 2.219 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852745818 652447981 /nfs/dbraw/zinc/44/79/81/652447981.db2.gz ANQKJOIFNSQXGM-GOSISDBHSA-N 2 1 317.477 2.486 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217679 652658464 /nfs/dbraw/zinc/65/84/64/652658464.db2.gz OPLGFWJTGFLPQW-MPGHIAIKSA-N 2 1 303.450 2.394 20 10 DECDMP COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646836 686540104 /nfs/dbraw/zinc/54/01/04/686540104.db2.gz PXEZNSSDVUHWFQ-VXGBXAGGSA-N 2 1 318.339 2.360 20 10 DECDMP CN(C)c1ccc(C[N@@H+](C)CCOCC[NH3+])c(C(F)(F)F)c1 ZINC000863652433 686540782 /nfs/dbraw/zinc/54/07/82/686540782.db2.gz RIADVIQRCGZGBX-UHFFFAOYSA-N 2 1 319.371 2.179 20 10 DECDMP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)cccc3O)CC2)c1 ZINC000876688226 689903956 /nfs/dbraw/zinc/90/39/56/689903956.db2.gz HSCOTBJWSZVQGE-UHFFFAOYSA-N 2 1 313.401 2.426 20 10 DECDMP COCC[N@H+](Cc1cccc(OC)c1O)CC1CC[NH+](C)CC1 ZINC000877665458 690183399 /nfs/dbraw/zinc/18/33/99/690183399.db2.gz WLJPAKRJKUZWLV-UHFFFAOYSA-N 2 1 322.449 2.191 20 10 DECDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931718046 694462478 /nfs/dbraw/zinc/46/24/78/694462478.db2.gz SBOVZUKEARHINM-RBUKOAKNSA-N 2 1 315.461 2.192 20 10 DECDMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 ZINC000931718046 694462481 /nfs/dbraw/zinc/46/24/81/694462481.db2.gz SBOVZUKEARHINM-RBUKOAKNSA-N 2 1 315.461 2.192 20 10 DECDMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 ZINC000931718046 694462484 /nfs/dbraw/zinc/46/24/84/694462484.db2.gz SBOVZUKEARHINM-RBUKOAKNSA-N 2 1 315.461 2.192 20 10 DECDMP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc(C[NH+](C)C)c1O ZINC001139254326 796350283 /nfs/dbraw/zinc/35/02/83/796350283.db2.gz GWGRTRLWQBXDGP-GASCZTMLSA-N 2 1 318.417 2.158 20 10 DECDMP COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc(C[NH+](C)C)c1O ZINC001139254326 796350289 /nfs/dbraw/zinc/35/02/89/796350289.db2.gz GWGRTRLWQBXDGP-GASCZTMLSA-N 2 1 318.417 2.158 20 10 DECDMP CN1CCOc2cc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001141145674 796639594 /nfs/dbraw/zinc/63/95/94/796639594.db2.gz XTXIJYPGKDXFKF-SFHVURJKSA-N 2 1 301.434 2.043 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC001141145674 796639600 /nfs/dbraw/zinc/63/96/00/796639600.db2.gz XTXIJYPGKDXFKF-SFHVURJKSA-N 2 1 301.434 2.043 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC001141145674 796639603 /nfs/dbraw/zinc/63/96/03/796639603.db2.gz XTXIJYPGKDXFKF-SFHVURJKSA-N 2 1 301.434 2.043 20 10 DECDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816276 800425894 /nfs/dbraw/zinc/42/58/94/800425894.db2.gz KYEJIMAZAMMOGY-YJBOKZPZSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816276 800425896 /nfs/dbraw/zinc/42/58/96/800425896.db2.gz KYEJIMAZAMMOGY-YJBOKZPZSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@H]1C[NH3+] ZINC001206003872 800456353 /nfs/dbraw/zinc/45/63/53/800456353.db2.gz NCWMAPOREUFOKE-HOCLYGCPSA-N 2 1 303.450 2.322 20 10 DECDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001206310752 800506195 /nfs/dbraw/zinc/50/61/95/800506195.db2.gz BPTSHIKIZMABQQ-IBGZPJMESA-N 3 1 316.493 2.047 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206311582 800506624 /nfs/dbraw/zinc/50/66/24/800506624.db2.gz QXYSLYWITUPTDE-QGZVFWFLSA-N 2 1 308.422 2.360 20 10 DECDMP CC(C)[N@H+]1CCC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218348131 802170371 /nfs/dbraw/zinc/17/03/71/802170371.db2.gz NULUKFJTLYFJCC-SFHVURJKSA-N 2 1 303.450 2.348 20 10 DECDMP COCC[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001648930988 1080035142 /nfs/dbraw/zinc/03/51/42/1080035142.db2.gz OSKFNFPGCOZFQB-UHFFFAOYSA-N 2 1 317.477 2.487 20 10 DECDMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(O)c1 ZINC001276806305 1083622593 /nfs/dbraw/zinc/62/25/93/1083622593.db2.gz LLBAUTTWFBJOOF-GASCZTMLSA-N 2 1 304.434 2.483 20 10 DECDMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(O)c1 ZINC001276806305 1083622597 /nfs/dbraw/zinc/62/25/97/1083622597.db2.gz LLBAUTTWFBJOOF-GASCZTMLSA-N 2 1 304.434 2.483 20 10 DECDMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(O)c1 ZINC001276806305 1083622606 /nfs/dbraw/zinc/62/26/06/1083622606.db2.gz LLBAUTTWFBJOOF-GASCZTMLSA-N 2 1 304.434 2.483 20 10 DECDMP CN(C)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001234980619 1084259566 /nfs/dbraw/zinc/25/95/66/1084259566.db2.gz HCAIXINLWQRTMU-FQEVSTJZSA-N 2 1 324.472 2.043 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c1 ZINC001236078736 1084606928 /nfs/dbraw/zinc/60/69/28/1084606928.db2.gz OZJBIBWSWZWLEB-KRWDZBQOSA-N 2 1 317.477 2.297 20 10 DECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275276670 1091647741 /nfs/dbraw/zinc/64/77/41/1091647741.db2.gz OFGXPLMKWYQWSY-CJNGLKHVSA-N 2 1 323.868 2.113 20 10 DECDMP Cc1cc(C[NH+]2CC(N3CC[NH2+]CC3)C2)c(C)n1-c1ccccc1 ZINC001236158715 1138334810 /nfs/dbraw/zinc/33/48/10/1138334810.db2.gz BSFCKXZVCZZPDJ-UHFFFAOYSA-N 2 1 324.472 2.184 20 10 DECDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236321866 1138352475 /nfs/dbraw/zinc/35/24/75/1138352475.db2.gz GKGRHQJBWFWRDA-UHFFFAOYSA-N 3 1 318.509 2.260 20 10 DECDMP CCC[N@H+](CCCN(C)C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236321866 1138352477 /nfs/dbraw/zinc/35/24/77/1138352477.db2.gz GKGRHQJBWFWRDA-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP CCC[N@@H+](CCCN(C)C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236321866 1138352480 /nfs/dbraw/zinc/35/24/80/1138352480.db2.gz GKGRHQJBWFWRDA-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2F)CC1 ZINC001320170484 1140833546 /nfs/dbraw/zinc/83/35/46/1140833546.db2.gz DLEDJGRRUZZJSX-OAHLLOKOSA-N 2 1 321.440 2.094 20 10 DECDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C)C3)CC2)c(C)c1 ZINC001246933898 1141140859 /nfs/dbraw/zinc/14/08/59/1141140859.db2.gz LABLABAFXZZCOC-HOTGVXAUSA-N 2 1 303.450 2.266 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOC3CCC3)cc2F)CC1 ZINC001341802849 1143711556 /nfs/dbraw/zinc/71/15/56/1143711556.db2.gz PRRAVQYVRWQWJO-UHFFFAOYSA-N 2 1 321.440 2.236 20 10 DECDMP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326375210 1148087518 /nfs/dbraw/zinc/08/75/18/1148087518.db2.gz GJQXFHUEKNTWBG-PBHICJAKSA-N 2 1 321.440 2.092 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371466933 529780445 /nfs/dbraw/zinc/78/04/45/529780445.db2.gz UFLAFJBWXRICJS-IPMKNSEASA-N 2 1 317.477 2.436 20 10 DECDMP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285524991 131177928 /nfs/dbraw/zinc/17/79/28/131177928.db2.gz BJUCVDVYJXIZGO-CJNGLKHVSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)ccc1O ZINC000185353387 402346405 /nfs/dbraw/zinc/34/64/05/402346405.db2.gz ZSFCHAMQUQSNRI-CQSZACIVSA-N 2 1 323.456 2.456 20 10 DECDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1O ZINC000183494006 402771780 /nfs/dbraw/zinc/77/17/80/402771780.db2.gz YWTWETBHOZFLQL-OAHLLOKOSA-N 2 1 305.466 2.316 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559459 404219637 /nfs/dbraw/zinc/21/96/37/404219637.db2.gz SGJRZQXVHYBHQO-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290559459 404219642 /nfs/dbraw/zinc/21/96/42/404219642.db2.gz SGJRZQXVHYBHQO-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290559459 404219650 /nfs/dbraw/zinc/21/96/50/404219650.db2.gz SGJRZQXVHYBHQO-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000290559459 404219654 /nfs/dbraw/zinc/21/96/54/404219654.db2.gz SGJRZQXVHYBHQO-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000282404669 225559654 /nfs/dbraw/zinc/55/96/54/225559654.db2.gz RWGICBZQKOKORE-OAHLLOKOSA-N 2 1 305.466 2.377 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2F)CC1 ZINC001330534307 1149182283 /nfs/dbraw/zinc/18/22/83/1149182283.db2.gz XUKQUHYOQQYSCI-QGZVFWFLSA-N 2 1 321.440 2.235 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(O)c1OC ZINC000892226350 624856096 /nfs/dbraw/zinc/85/60/96/624856096.db2.gz GKDRMXIRSXFLSF-DZGCQCFKSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c1OC ZINC000892226350 624856097 /nfs/dbraw/zinc/85/60/97/624856097.db2.gz GKDRMXIRSXFLSF-DZGCQCFKSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c1OC ZINC000892226350 624856099 /nfs/dbraw/zinc/85/60/99/624856099.db2.gz GKDRMXIRSXFLSF-DZGCQCFKSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(O)c1OC ZINC000893027965 625063741 /nfs/dbraw/zinc/06/37/41/625063741.db2.gz AWKDDNIJZSOQAI-UHFFFAOYSA-N 2 1 319.405 2.484 20 10 DECDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922220831 636010199 /nfs/dbraw/zinc/01/01/99/636010199.db2.gz CMJUAUVCBZNJNT-QGZVFWFLSA-N 2 1 306.450 2.194 20 10 DECDMP COc1ccc(N2CCC[N@@H+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000923321974 637115501 /nfs/dbraw/zinc/11/55/01/637115501.db2.gz KKNWEVGARPNLIB-UHFFFAOYSA-N 2 1 303.450 2.349 20 10 DECDMP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840979485 650398904 /nfs/dbraw/zinc/39/89/04/650398904.db2.gz SGQPXAJSPDXFEJ-AEFFLSMTSA-N 2 1 317.477 2.031 20 10 DECDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788767 640459592 /nfs/dbraw/zinc/45/95/92/640459592.db2.gz QOCDXNQFCKESBM-UGSOOPFHSA-N 2 1 300.402 2.263 20 10 DECDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788767 640459594 /nfs/dbraw/zinc/45/95/94/640459594.db2.gz QOCDXNQFCKESBM-UGSOOPFHSA-N 2 1 300.402 2.263 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC(C)(C)C3)cc2)CC1 ZINC000775654532 642072576 /nfs/dbraw/zinc/07/25/76/642072576.db2.gz LJDVELVAQNZPLU-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000775660713 642074775 /nfs/dbraw/zinc/07/47/75/642074775.db2.gz IWJZEQIOAFQXFH-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC000784670112 643163368 /nfs/dbraw/zinc/16/33/68/643163368.db2.gz MLIGPAYYPAPAOF-UAPYVXQJSA-N 2 1 317.477 2.174 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C[NH3+] ZINC000904410160 643661015 /nfs/dbraw/zinc/66/10/15/643661015.db2.gz BUFDOXCVYCCXRD-HOCLYGCPSA-N 2 1 321.440 2.079 20 10 DECDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052711 650878440 /nfs/dbraw/zinc/87/84/40/650878440.db2.gz RRKKZGMAGZFEPE-WBVHZDCISA-N 2 1 321.440 2.222 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052711 650878444 /nfs/dbraw/zinc/87/84/44/650878444.db2.gz RRKKZGMAGZFEPE-WBVHZDCISA-N 2 1 321.440 2.222 20 10 DECDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843056465 650879384 /nfs/dbraw/zinc/87/93/84/650879384.db2.gz KWKPIUMTQHDHLL-KRWDZBQOSA-N 2 1 323.456 2.468 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1F ZINC000841085449 644833758 /nfs/dbraw/zinc/83/37/58/644833758.db2.gz CPUXWTGOYDAUKZ-HNNXBMFYSA-N 2 1 309.429 2.140 20 10 DECDMP COc1cc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000809735435 646270666 /nfs/dbraw/zinc/27/06/66/646270666.db2.gz GUYNNCFKWVHQIP-ZDUSSCGKSA-N 2 1 308.422 2.229 20 10 DECDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817961033 647394611 /nfs/dbraw/zinc/39/46/11/647394611.db2.gz TUBSBOKSPJUCSA-BLLLJJGKSA-N 2 1 307.413 2.050 20 10 DECDMP CCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c1 ZINC000827857246 649095404 /nfs/dbraw/zinc/09/54/04/649095404.db2.gz ZNXHZSXVWGYWAE-QGZVFWFLSA-N 2 1 322.449 2.334 20 10 DECDMP COc1ccc(N(C)CC[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000847008453 651368706 /nfs/dbraw/zinc/36/87/06/651368706.db2.gz JXGXASRKYCYQRT-UHFFFAOYSA-N 2 1 316.449 2.430 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000847008453 651368707 /nfs/dbraw/zinc/36/87/07/651368707.db2.gz JXGXASRKYCYQRT-UHFFFAOYSA-N 2 1 316.449 2.430 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873228641 689189162 /nfs/dbraw/zinc/18/91/62/689189162.db2.gz VDYUOWQJSRNSDL-GXTWGEPZSA-N 2 1 301.356 2.322 20 10 DECDMP CN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873228641 689189167 /nfs/dbraw/zinc/18/91/67/689189167.db2.gz VDYUOWQJSRNSDL-GXTWGEPZSA-N 2 1 301.356 2.322 20 10 DECDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743270 690212561 /nfs/dbraw/zinc/21/25/61/690212561.db2.gz JHYIFSZVLZIWEM-MJGOQNOKSA-N 2 1 315.461 2.049 20 10 DECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743270 690212562 /nfs/dbraw/zinc/21/25/62/690212562.db2.gz JHYIFSZVLZIWEM-MJGOQNOKSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743270 690212564 /nfs/dbraw/zinc/21/25/64/690212564.db2.gz JHYIFSZVLZIWEM-MJGOQNOKSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743270 690212566 /nfs/dbraw/zinc/21/25/66/690212566.db2.gz JHYIFSZVLZIWEM-MJGOQNOKSA-N 2 1 315.461 2.049 20 10 DECDMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883033819 691416138 /nfs/dbraw/zinc/41/61/38/691416138.db2.gz DXXABDODJDXRFO-CYBMUJFWSA-N 2 1 302.365 2.117 20 10 DECDMP COc1cc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC001180866023 795386249 /nfs/dbraw/zinc/38/62/49/795386249.db2.gz XUCVGFWJDOERFC-HNNXBMFYSA-N 2 1 322.449 2.300 20 10 DECDMP COc1cc(C)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC001180866023 795386255 /nfs/dbraw/zinc/38/62/55/795386255.db2.gz XUCVGFWJDOERFC-HNNXBMFYSA-N 2 1 322.449 2.300 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@]1(C)O ZINC001139408477 796372527 /nfs/dbraw/zinc/37/25/27/796372527.db2.gz NATUPPAJCJUJQL-VQIMIIECSA-N 2 1 317.477 2.031 20 10 DECDMP CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410977 796372554 /nfs/dbraw/zinc/37/25/54/796372554.db2.gz OFGIIIBWHLASKZ-GOSISDBHSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC34CC4)cc2)CC1 ZINC001140305692 796503424 /nfs/dbraw/zinc/50/34/24/796503424.db2.gz GMQUMYWXXLAHMG-UHFFFAOYSA-N 2 1 315.461 2.193 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOCC34CC4)cc2)CC1 ZINC001140305692 796503428 /nfs/dbraw/zinc/50/34/28/796503428.db2.gz GMQUMYWXXLAHMG-UHFFFAOYSA-N 2 1 315.461 2.193 20 10 DECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1O ZINC001140949974 796606262 /nfs/dbraw/zinc/60/62/62/796606262.db2.gz PBAOXWMQTXFHEA-UHFFFAOYSA-N 2 1 308.422 2.017 20 10 DECDMP Cc1ccc(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001140954308 796606687 /nfs/dbraw/zinc/60/66/87/796606687.db2.gz PNIWAHDXQSWSBF-UHFFFAOYSA-N 2 1 317.477 2.160 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(OC)c1 ZINC001205626529 800388659 /nfs/dbraw/zinc/38/86/59/800388659.db2.gz GYWOVZRUHGMUOO-OLZOCXBDSA-N 2 1 308.422 2.216 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1OC ZINC001205651121 800393318 /nfs/dbraw/zinc/39/33/18/800393318.db2.gz AGVYUQVHCLJMAP-CHWSQXEVSA-N 2 1 308.422 2.216 20 10 DECDMP Cc1c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c2ccccc2n1C ZINC001205673970 800400119 /nfs/dbraw/zinc/40/01/19/800400119.db2.gz WUXWLKCCECZVKT-GOSISDBHSA-N 2 1 301.434 2.162 20 10 DECDMP CN1CCCc2cc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc21 ZINC001205767844 800416567 /nfs/dbraw/zinc/41/65/67/800416567.db2.gz BGNZMCVBDRSIET-HNNXBMFYSA-N 2 1 309.404 2.485 20 10 DECDMP CN1CCCc2cc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc21 ZINC001205767844 800416572 /nfs/dbraw/zinc/41/65/72/800416572.db2.gz BGNZMCVBDRSIET-HNNXBMFYSA-N 2 1 309.404 2.485 20 10 DECDMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N(C)C)cc3OC)C[C@@H]2C1 ZINC001231854495 801739293 /nfs/dbraw/zinc/73/92/93/801739293.db2.gz BENFDHBTZBOASK-HOTGVXAUSA-N 2 1 303.450 2.145 20 10 DECDMP CC[NH+](CC)CCCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001473912713 1060770227 /nfs/dbraw/zinc/77/02/27/1060770227.db2.gz UVHDPNOUQQFEGE-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)[C@H](C)C1 ZINC001578107872 1066986423 /nfs/dbraw/zinc/98/64/23/1066986423.db2.gz MCFGNQOIEPJENP-CRAIPNDOSA-N 2 1 305.466 2.495 20 10 DECDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c(OC)c1 ZINC001237677076 1138752775 /nfs/dbraw/zinc/75/27/75/1138752775.db2.gz WPIWIRZRTZKPDA-UHFFFAOYSA-N 2 1 308.422 2.183 20 10 DECDMP CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318448163 1140333864 /nfs/dbraw/zinc/33/38/64/1140333864.db2.gz LKIAWRHRHWVWCP-GOSISDBHSA-N 2 1 323.456 2.218 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CSC3)cc2F)CC1 ZINC001262112365 1144291060 /nfs/dbraw/zinc/29/10/60/1144291060.db2.gz HJOIJEDSXITMLS-UHFFFAOYSA-N 2 1 309.454 2.030 20 10 DECDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282161479 296125568 /nfs/dbraw/zinc/12/55/68/296125568.db2.gz DJYHTCGLBNFJNU-MRXNPFEDSA-N 2 1 318.509 2.429 20 10 DECDMP CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)C1CC1 ZINC000289496032 131390915 /nfs/dbraw/zinc/39/09/15/131390915.db2.gz ZNUNGHQGOYNQNY-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP CCCC[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)C1CC1 ZINC000289496032 131390916 /nfs/dbraw/zinc/39/09/16/131390916.db2.gz ZNUNGHQGOYNQNY-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP CCCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289496032 131390917 /nfs/dbraw/zinc/39/09/17/131390917.db2.gz ZNUNGHQGOYNQNY-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP CCCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289496032 131390918 /nfs/dbraw/zinc/39/09/18/131390918.db2.gz ZNUNGHQGOYNQNY-QGZVFWFLSA-N 2 1 306.450 2.449 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000369547627 227034357 /nfs/dbraw/zinc/03/43/57/227034357.db2.gz GKMIARRXQUELIH-SFHVURJKSA-N 2 1 317.477 2.221 20 10 DECDMP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000375015059 534712579 /nfs/dbraw/zinc/71/25/79/534712579.db2.gz CAFBDXBHQLFGDZ-FUHWJXTLSA-N 2 1 317.477 2.158 20 10 DECDMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(O)c1OC ZINC000892100118 624782234 /nfs/dbraw/zinc/78/22/34/624782234.db2.gz CNSZJEXSQYNPFJ-CQSZACIVSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(O)c1OC ZINC000892100118 624782235 /nfs/dbraw/zinc/78/22/35/624782235.db2.gz CNSZJEXSQYNPFJ-CQSZACIVSA-N 2 1 320.433 2.327 20 10 DECDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000320198125 637879167 /nfs/dbraw/zinc/87/91/67/637879167.db2.gz HHLANCBZVITKSL-GOSISDBHSA-N 2 1 317.477 2.343 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C[NH3+] ZINC000841100823 650431444 /nfs/dbraw/zinc/43/14/44/650431444.db2.gz KZRWEXVAVGKGER-GDBMZVCRSA-N 2 1 321.440 2.079 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C[NH3+] ZINC000841100825 650431479 /nfs/dbraw/zinc/43/14/79/650431479.db2.gz KZRWEXVAVGKGER-HOCLYGCPSA-N 2 1 321.440 2.079 20 10 DECDMP C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775700952 642081510 /nfs/dbraw/zinc/08/15/10/642081510.db2.gz UPANDSCHZYYWRM-CVEARBPZSA-N 2 1 303.450 2.048 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000902516075 643061444 /nfs/dbraw/zinc/06/14/44/643061444.db2.gz ANMQZBAALSDEDK-NXHRZFHOSA-N 2 1 304.482 2.072 20 10 DECDMP CCC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725650 643441052 /nfs/dbraw/zinc/44/10/52/643441052.db2.gz FGDCNUKIKVFTQT-FUHWJXTLSA-N 2 1 304.434 2.373 20 10 DECDMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045051 650875898 /nfs/dbraw/zinc/87/58/98/650875898.db2.gz HEYRCDBFXUDNMP-CRAIPNDOSA-N 2 1 303.450 2.225 20 10 DECDMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045051 650875899 /nfs/dbraw/zinc/87/58/99/650875899.db2.gz HEYRCDBFXUDNMP-CRAIPNDOSA-N 2 1 303.450 2.225 20 10 DECDMP CCOc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827856601 649095497 /nfs/dbraw/zinc/09/54/97/649095497.db2.gz QOYAAULXRYPUNT-INIZCTEOSA-N 2 1 322.449 2.334 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000844902893 651180845 /nfs/dbraw/zinc/18/08/45/651180845.db2.gz WLQUCVWGOMTDLM-JSGCOSHPSA-N 2 1 308.422 2.359 20 10 DECDMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000844903464 651181132 /nfs/dbraw/zinc/18/11/32/651181132.db2.gz ZPNNODUSTNYBBS-USXIJHARSA-N 2 1 304.434 2.419 20 10 DECDMP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000848526484 651467479 /nfs/dbraw/zinc/46/74/79/651467479.db2.gz YVECQLNPNDSLAX-INIZCTEOSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565786 651953568 /nfs/dbraw/zinc/95/35/68/651953568.db2.gz HZZVGDAOSQHREQ-NVXWUHKLSA-N 2 1 317.477 2.220 20 10 DECDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CCOCC1 ZINC001139256825 796350262 /nfs/dbraw/zinc/35/02/62/796350262.db2.gz MBKVHGNXGPNRJP-UHFFFAOYSA-N 2 1 322.449 2.463 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)C3)cc2)CC1 ZINC001140299564 796502771 /nfs/dbraw/zinc/50/27/71/796502771.db2.gz ACDXWGIKJASODJ-SFHVURJKSA-N 2 1 317.477 2.033 20 10 DECDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@H]2C1 ZINC001141146501 796639493 /nfs/dbraw/zinc/63/94/93/796639493.db2.gz XTRLYEZTOQFEDW-IAGOWNOFSA-N 2 1 315.461 2.289 20 10 DECDMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204283105 800200327 /nfs/dbraw/zinc/20/03/27/800200327.db2.gz ZCKAWEUZFWJSKZ-HNNXBMFYSA-N 2 1 300.358 2.455 20 10 DECDMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204283105 800200333 /nfs/dbraw/zinc/20/03/33/800200333.db2.gz ZCKAWEUZFWJSKZ-HNNXBMFYSA-N 2 1 300.358 2.455 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2)CC1 ZINC001205109728 800297170 /nfs/dbraw/zinc/29/71/70/800297170.db2.gz KIEHHQVNCALXNX-SFHVURJKSA-N 3 1 316.493 2.142 20 10 DECDMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205117789 800300221 /nfs/dbraw/zinc/30/02/21/800300221.db2.gz VPYQGWCUAICCMT-HNNXBMFYSA-N 2 1 323.868 2.490 20 10 DECDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205117789 800300226 /nfs/dbraw/zinc/30/02/26/800300226.db2.gz VPYQGWCUAICCMT-HNNXBMFYSA-N 2 1 323.868 2.490 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@H]1C[NH3+] ZINC001205627213 800390495 /nfs/dbraw/zinc/39/04/95/800390495.db2.gz NYDLAGCVMSXSKC-GDBMZVCRSA-N 2 1 303.450 2.322 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1OC ZINC001205651124 800393386 /nfs/dbraw/zinc/39/33/86/800393386.db2.gz AGVYUQVHCLJMAP-STQMWFEESA-N 2 1 308.422 2.216 20 10 DECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001205688449 800402453 /nfs/dbraw/zinc/40/24/53/800402453.db2.gz HVFFIVGXYYSDIL-SFHVURJKSA-N 2 1 300.402 2.221 20 10 DECDMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001205725395 800408916 /nfs/dbraw/zinc/40/89/16/800408916.db2.gz GTRUQUKUZWPKKL-AWEZNQCLSA-N 2 1 318.339 2.087 20 10 DECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001205725395 800408920 /nfs/dbraw/zinc/40/89/20/800408920.db2.gz GTRUQUKUZWPKKL-AWEZNQCLSA-N 2 1 318.339 2.087 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828620 800428782 /nfs/dbraw/zinc/42/87/82/800428782.db2.gz MAEHRHHUNBXREZ-CRAIPNDOSA-N 2 1 317.477 2.207 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828620 800428785 /nfs/dbraw/zinc/42/87/85/800428785.db2.gz MAEHRHHUNBXREZ-CRAIPNDOSA-N 2 1 317.477 2.207 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001206003399 800456954 /nfs/dbraw/zinc/45/69/54/800456954.db2.gz HNBXHLWOUQIBMK-OLZOCXBDSA-N 2 1 308.422 2.216 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Cl ZINC001206188863 800486167 /nfs/dbraw/zinc/48/61/67/800486167.db2.gz WBJJXNVWSPGEMN-VXGBXAGGSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Cl ZINC001206188863 800486171 /nfs/dbraw/zinc/48/61/71/800486171.db2.gz WBJJXNVWSPGEMN-VXGBXAGGSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(O)c(OC)c1 ZINC001206572531 800556507 /nfs/dbraw/zinc/55/65/07/800556507.db2.gz CHRNLKSRMDSVQL-KRWDZBQOSA-N 2 1 308.422 2.360 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001208617110 801035938 /nfs/dbraw/zinc/03/59/38/801035938.db2.gz MHKZOMGLKYBOJU-QGZVFWFLSA-N 2 1 317.477 2.467 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC001208617110 801035944 /nfs/dbraw/zinc/03/59/44/801035944.db2.gz MHKZOMGLKYBOJU-QGZVFWFLSA-N 2 1 317.477 2.467 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507362 802698282 /nfs/dbraw/zinc/69/82/82/802698282.db2.gz UPAPVNSZAAYCOZ-IRXDYDNUSA-N 2 1 317.477 2.216 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)O1 ZINC001335507286 1150438239 /nfs/dbraw/zinc/43/82/39/1150438239.db2.gz OTKCGBWHFAKKIB-KEYYUXOJSA-N 2 1 321.440 2.233 20 10 DECDMP Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234978776 1084256592 /nfs/dbraw/zinc/25/65/92/1084256592.db2.gz BIGWGOVISVMUCW-HXUWFJFHSA-N 2 1 324.472 2.231 20 10 DECDMP Oc1c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cccc1-c1ccccc1 ZINC001235062104 1084293328 /nfs/dbraw/zinc/29/33/28/1084293328.db2.gz OCCKBKITZYKJQS-FQEVSTJZSA-N 2 1 323.440 2.197 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001276091688 1091539133 /nfs/dbraw/zinc/53/91/33/1091539133.db2.gz XEHYVKNJVGGUSK-QGZVFWFLSA-N 2 1 306.406 2.024 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001276091688 1091539140 /nfs/dbraw/zinc/53/91/40/1091539140.db2.gz XEHYVKNJVGGUSK-QGZVFWFLSA-N 2 1 306.406 2.024 20 10 DECDMP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(O)cc1O ZINC001276091688 1091539149 /nfs/dbraw/zinc/53/91/49/1091539149.db2.gz XEHYVKNJVGGUSK-QGZVFWFLSA-N 2 1 306.406 2.024 20 10 DECDMP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(O)cc1O ZINC001276091688 1091539156 /nfs/dbraw/zinc/53/91/56/1091539156.db2.gz XEHYVKNJVGGUSK-QGZVFWFLSA-N 2 1 306.406 2.024 20 10 DECDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Cl ZINC001275217412 1091620161 /nfs/dbraw/zinc/62/01/61/1091620161.db2.gz MHBADENNOVPBDI-OKILXGFUSA-N 2 1 323.868 2.256 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001276194136 1091677522 /nfs/dbraw/zinc/67/75/22/1091677522.db2.gz QOHUCNJIEWDOCV-UHFFFAOYSA-N 2 1 320.433 2.327 20 10 DECDMP C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H](C)O1 ZINC001236931356 1138459714 /nfs/dbraw/zinc/45/97/14/1138459714.db2.gz JYQNWVRTANNIMQ-GASCZTMLSA-N 2 1 321.440 2.187 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCCO1 ZINC001236932590 1138460295 /nfs/dbraw/zinc/46/02/95/1138460295.db2.gz SEGVCNFESFMPKF-OAHLLOKOSA-N 2 1 321.440 2.188 20 10 DECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C(C)(C)C1 ZINC001237038116 1138486181 /nfs/dbraw/zinc/48/61/81/1138486181.db2.gz QNSXAZFEJWTKQH-UHFFFAOYSA-N 2 1 316.493 2.012 20 10 DECDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C(C)(C)C1 ZINC001237038116 1138486187 /nfs/dbraw/zinc/48/61/87/1138486187.db2.gz QNSXAZFEJWTKQH-UHFFFAOYSA-N 2 1 316.493 2.012 20 10 DECDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C(C)(C)C1 ZINC001237038116 1138486192 /nfs/dbraw/zinc/48/61/92/1138486192.db2.gz QNSXAZFEJWTKQH-UHFFFAOYSA-N 2 1 316.493 2.012 20 10 DECDMP C[NH+]1CCC([N@H+](CCO)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324168944 1142021139 /nfs/dbraw/zinc/02/11/39/1142021139.db2.gz ZIHMLJLDLFVLKV-UHFFFAOYSA-N 2 1 317.477 2.175 20 10 DECDMP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324168944 1142021147 /nfs/dbraw/zinc/02/11/47/1142021147.db2.gz ZIHMLJLDLFVLKV-UHFFFAOYSA-N 2 1 317.477 2.175 20 10 DECDMP COc1ccc(N2CCC[N@@H+](CCn3ccnc3)CC2)cc1 ZINC000159768721 402330231 /nfs/dbraw/zinc/33/02/31/402330231.db2.gz BJRKPNRANXRMKG-UHFFFAOYSA-N 2 1 300.406 2.104 20 10 DECDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000270021833 403178776 /nfs/dbraw/zinc/17/87/76/403178776.db2.gz FODBXNFPLREFSL-CQSZACIVSA-N 2 1 318.417 2.285 20 10 DECDMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186605587 298428773 /nfs/dbraw/zinc/42/87/73/298428773.db2.gz YPFXRFNXLQZLCT-KGLIPLIRSA-N 2 1 309.429 2.208 20 10 DECDMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367754799 524403588 /nfs/dbraw/zinc/40/35/88/524403588.db2.gz RDPXHSRCJRBROG-GVDBMIGSSA-N 2 1 304.434 2.384 20 10 DECDMP COc1c(O)c(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000835063373 649874463 /nfs/dbraw/zinc/87/44/63/649874463.db2.gz KQJXETMAVZUZGI-UHFFFAOYSA-N 2 1 323.393 2.273 20 10 DECDMP COc1c(O)c(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000835063373 649874464 /nfs/dbraw/zinc/87/44/64/649874464.db2.gz KQJXETMAVZUZGI-UHFFFAOYSA-N 2 1 323.393 2.273 20 10 DECDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000892742839 625530000 /nfs/dbraw/zinc/53/00/00/625530000.db2.gz JYBNRSGGBUVDGV-CYBMUJFWSA-N 2 1 308.422 2.231 20 10 DECDMP COc1ccc(C[N@@H+](C)CCCn2ccnc2C)c(O)c1OC ZINC000894475876 637061424 /nfs/dbraw/zinc/06/14/24/637061424.db2.gz IOTWSPUKONROTR-UHFFFAOYSA-N 2 1 319.405 2.436 20 10 DECDMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(O)c1OC ZINC000894475876 637061427 /nfs/dbraw/zinc/06/14/27/637061427.db2.gz IOTWSPUKONROTR-UHFFFAOYSA-N 2 1 319.405 2.436 20 10 DECDMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(O)c1OC ZINC000894475876 637061432 /nfs/dbraw/zinc/06/14/32/637061432.db2.gz IOTWSPUKONROTR-UHFFFAOYSA-N 2 1 319.405 2.436 20 10 DECDMP COc1c(O)c(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000774837516 641971750 /nfs/dbraw/zinc/97/17/50/641971750.db2.gz YVGAPZYKUCQOIV-UHFFFAOYSA-N 2 1 323.393 2.083 20 10 DECDMP C[C@@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOC1(C)C ZINC000775706657 642082724 /nfs/dbraw/zinc/08/27/24/642082724.db2.gz BVRKUQQHGMQEPU-INIZCTEOSA-N 2 1 317.477 2.438 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CCOC4)C3)cc2)CC1 ZINC000775728623 642086456 /nfs/dbraw/zinc/08/64/56/642086456.db2.gz ITSDCCDWMQESAT-IBGZPJMESA-N 2 1 315.461 2.051 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC([NH3+])CC1 ZINC000843055873 650879464 /nfs/dbraw/zinc/87/94/64/650879464.db2.gz QYBONLZBCKTWGT-UHFFFAOYSA-N 3 1 316.493 2.140 20 10 DECDMP CN1CCN(c2ccc(C[N@H+](C)C3CCC([NH3+])CC3)cc2)CC1 ZINC000843055873 650879468 /nfs/dbraw/zinc/87/94/68/650879468.db2.gz QYBONLZBCKTWGT-UHFFFAOYSA-N 2 1 316.493 2.140 20 10 DECDMP CN1CCN(c2ccc(C[N@@H+](C)C3CCC([NH3+])CC3)cc2)CC1 ZINC000843055873 650879469 /nfs/dbraw/zinc/87/94/69/650879469.db2.gz QYBONLZBCKTWGT-UHFFFAOYSA-N 2 1 316.493 2.140 20 10 DECDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843113060 650897491 /nfs/dbraw/zinc/89/74/91/650897491.db2.gz MJUBECNHDFWKTJ-HNNXBMFYSA-N 2 1 321.440 2.223 20 10 DECDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843122455 650900453 /nfs/dbraw/zinc/90/04/53/650900453.db2.gz CWEPIMVQCDALBT-INIZCTEOSA-N 2 1 321.440 2.366 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000843125057 650901550 /nfs/dbraw/zinc/90/15/50/650901550.db2.gz MPSYQWNOVBUUBI-KBPBESRZSA-N 2 1 320.433 2.231 20 10 DECDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889381 647371998 /nfs/dbraw/zinc/37/19/98/647371998.db2.gz UFABPXVTKUBPAQ-IRXDYDNUSA-N 2 1 321.440 2.412 20 10 DECDMP COC[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975431 647398518 /nfs/dbraw/zinc/39/85/18/647398518.db2.gz UGFBTLGRVCNLEZ-XTQGRXLLSA-N 2 1 308.397 2.438 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000818964742 647551574 /nfs/dbraw/zinc/55/15/74/647551574.db2.gz GBEYIRISBJKTSE-SFHVURJKSA-N 2 1 305.466 2.078 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000818964742 647551579 /nfs/dbraw/zinc/55/15/79/647551579.db2.gz GBEYIRISBJKTSE-SFHVURJKSA-N 2 1 305.466 2.078 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848559407 651470640 /nfs/dbraw/zinc/47/06/40/651470640.db2.gz WHZHNMSODOQYPU-BZPMIXESSA-N 2 1 306.406 2.170 20 10 DECDMP Oc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357630 651910598 /nfs/dbraw/zinc/91/05/98/651910598.db2.gz QAZYGZUMSORLGS-SFHVURJKSA-N 2 1 312.413 2.249 20 10 DECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093770255 684051726 /nfs/dbraw/zinc/05/17/26/684051726.db2.gz PGJREMJLVVEZHY-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093770255 684051730 /nfs/dbraw/zinc/05/17/30/684051730.db2.gz PGJREMJLVVEZHY-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093770255 684051734 /nfs/dbraw/zinc/05/17/34/684051734.db2.gz PGJREMJLVVEZHY-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP CN(C)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000193455034 685041312 /nfs/dbraw/zinc/04/13/12/685041312.db2.gz ASWGFNYEJQEMES-UHFFFAOYSA-N 2 1 318.509 2.210 20 10 DECDMP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1O ZINC000873293627 689203963 /nfs/dbraw/zinc/20/39/63/689203963.db2.gz OFMKLBCBEORRNM-OCCSQVGLSA-N 2 1 308.397 2.341 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2F)CC1 ZINC001352736456 1151769687 /nfs/dbraw/zinc/76/96/87/1151769687.db2.gz BCHRRWRHZDNULM-OAHLLOKOSA-N 2 1 321.440 2.235 20 10 DECDMP CCO[C@H]1CCC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257204 796350438 /nfs/dbraw/zinc/35/04/38/796350438.db2.gz UONURVQQLFJBGS-INIZCTEOSA-N 2 1 322.449 2.463 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC001139411310 796372180 /nfs/dbraw/zinc/37/21/80/796372180.db2.gz FSDQEUCAVYESRV-GOSISDBHSA-N 2 1 303.450 2.049 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@H]1O ZINC001139407896 796372677 /nfs/dbraw/zinc/37/26/77/796372677.db2.gz FNKYZVNRGFBRPZ-APWZRJJASA-N 2 1 317.477 2.031 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)C(C)(C)C3)cc2)CC1 ZINC001139413568 796373883 /nfs/dbraw/zinc/37/38/83/796373883.db2.gz XFDJMAHBQDFQGL-UHFFFAOYSA-N 2 1 315.461 2.239 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)C(C)(C)C3)cc2)CC1 ZINC001139413568 796373885 /nfs/dbraw/zinc/37/38/85/796373885.db2.gz XFDJMAHBQDFQGL-UHFFFAOYSA-N 2 1 315.461 2.239 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C)cc2)CC1 ZINC001140302352 796503275 /nfs/dbraw/zinc/50/32/75/796503275.db2.gz PDEQBAMXRVONIQ-INIZCTEOSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C)cc2)CC1 ZINC001140302352 796503277 /nfs/dbraw/zinc/50/32/77/796503277.db2.gz PDEQBAMXRVONIQ-INIZCTEOSA-N 2 1 303.450 2.049 20 10 DECDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205068134 800292783 /nfs/dbraw/zinc/29/27/83/800292783.db2.gz CJHJFGOHMXSPIS-BBRMVZONSA-N 2 1 315.461 2.403 20 10 DECDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205068134 800292785 /nfs/dbraw/zinc/29/27/85/800292785.db2.gz CJHJFGOHMXSPIS-BBRMVZONSA-N 2 1 315.461 2.403 20 10 DECDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205183225 800312022 /nfs/dbraw/zinc/31/20/22/800312022.db2.gz YQBBSSAHDFQBBJ-MLGOLLRUSA-N 2 1 301.434 2.013 20 10 DECDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205183225 800312029 /nfs/dbraw/zinc/31/20/29/800312029.db2.gz YQBBSSAHDFQBBJ-MLGOLLRUSA-N 2 1 301.434 2.013 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)ccc21 ZINC001205571646 800379079 /nfs/dbraw/zinc/37/90/79/800379079.db2.gz WUOUGUYMQSWHDJ-KRWDZBQOSA-N 2 1 307.413 2.168 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001205996760 800455092 /nfs/dbraw/zinc/45/50/92/800455092.db2.gz YEGOSICMLZMLTG-FUHWJXTLSA-N 2 1 317.477 2.330 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001231854234 801738863 /nfs/dbraw/zinc/73/88/63/801738863.db2.gz CHMBBPOCWDKAQC-GOSISDBHSA-N 2 1 303.450 2.289 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001231854234 801738865 /nfs/dbraw/zinc/73/88/65/801738865.db2.gz CHMBBPOCWDKAQC-GOSISDBHSA-N 2 1 303.450 2.289 20 10 DECDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001231854234 801738869 /nfs/dbraw/zinc/73/88/69/801738869.db2.gz CHMBBPOCWDKAQC-GOSISDBHSA-N 2 1 303.450 2.289 20 10 DECDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001231854234 801738874 /nfs/dbraw/zinc/73/88/74/801738874.db2.gz CHMBBPOCWDKAQC-GOSISDBHSA-N 2 1 303.450 2.289 20 10 DECDMP COc1ccc(N2CCC[N@@H+](CC3(C[NH3+])CCC3)CC2)cc1 ZINC001579225247 1067264202 /nfs/dbraw/zinc/26/42/02/1067264202.db2.gz HKASHXJTLNUYBA-UHFFFAOYSA-N 2 1 303.450 2.336 20 10 DECDMP CC[NH+](CC)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308253337 1147460134 /nfs/dbraw/zinc/46/01/34/1147460134.db2.gz POFIIMPNDKECIK-QGZVFWFLSA-N 2 1 318.509 2.258 20 10 DECDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183416538 402765232 /nfs/dbraw/zinc/76/52/32/402765232.db2.gz NLZORMUNUZZMFG-INIZCTEOSA-N 2 1 305.466 2.461 20 10 DECDMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(O)c32)CCCO1 ZINC000296618181 404311623 /nfs/dbraw/zinc/31/16/23/404311623.db2.gz YYXYNCJQLYLCGY-GOEBONIOSA-N 2 1 304.434 2.470 20 10 DECDMP C[N@@H+]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2C1 ZINC000662719240 425721280 /nfs/dbraw/zinc/72/12/80/425721280.db2.gz DBRIUSQNBCIOBA-UHFFFAOYSA-N 2 1 321.424 2.425 20 10 DECDMP C[N@H+]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2C1 ZINC000662719240 425721283 /nfs/dbraw/zinc/72/12/83/425721283.db2.gz DBRIUSQNBCIOBA-UHFFFAOYSA-N 2 1 321.424 2.425 20 10 DECDMP c1cc(N2CCOCC2)ccc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000236682993 625326804 /nfs/dbraw/zinc/32/68/04/625326804.db2.gz KMGBZWVOBOPIKZ-OALUTQOASA-N 2 1 315.461 2.240 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236682993 625326807 /nfs/dbraw/zinc/32/68/07/625326807.db2.gz KMGBZWVOBOPIKZ-OALUTQOASA-N 2 1 315.461 2.240 20 10 DECDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3O)C2)[C@@H]1C(C)C ZINC000922392868 636154907 /nfs/dbraw/zinc/15/49/07/636154907.db2.gz OIKZQYRESWDGIL-YSHGAJCASA-N 2 1 318.461 2.352 20 10 DECDMP COCC[NH2+]C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000923389009 637156256 /nfs/dbraw/zinc/15/62/56/637156256.db2.gz RLEJPADQFKJUTR-UHFFFAOYSA-N 2 1 305.466 2.261 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000841057652 650417050 /nfs/dbraw/zinc/41/70/50/650417050.db2.gz BUPKPDWWPBHULE-RDTXWAMCSA-N 2 1 303.450 2.252 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000843044727 650875464 /nfs/dbraw/zinc/87/54/64/650875464.db2.gz GJNBIQWHYDLHJU-UKRRQHHQSA-N 2 1 320.433 2.373 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047550 650877144 /nfs/dbraw/zinc/87/71/44/650877144.db2.gz VUTXYFXNXXLNJT-JJTKIYQPSA-N 2 1 315.461 2.238 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1F ZINC000843053502 650878369 /nfs/dbraw/zinc/87/83/69/650878369.db2.gz ZIPXZFYCWGSLRG-UHFFFAOYSA-N 2 1 322.472 2.009 20 10 DECDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843056466 650879211 /nfs/dbraw/zinc/87/92/11/650879211.db2.gz KWKPIUMTQHDHLL-QGZVFWFLSA-N 2 1 323.456 2.468 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843060026 650880892 /nfs/dbraw/zinc/88/08/92/650880892.db2.gz ANCIHLUFRKTXDX-MRXNPFEDSA-N 2 1 303.450 2.207 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCO2 ZINC000843126624 650902195 /nfs/dbraw/zinc/90/21/95/650902195.db2.gz MDCDIUCDCKPVTM-KGLIPLIRSA-N 2 1 318.417 2.333 20 10 DECDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000843431851 650973573 /nfs/dbraw/zinc/97/35/73/650973573.db2.gz KMYAUQQOJGETID-UHFFFAOYSA-N 2 1 310.825 2.342 20 10 DECDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000843431851 650973575 /nfs/dbraw/zinc/97/35/75/650973575.db2.gz KMYAUQQOJGETID-UHFFFAOYSA-N 2 1 310.825 2.342 20 10 DECDMP COc1cc(O)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000809735434 646270398 /nfs/dbraw/zinc/27/03/98/646270398.db2.gz GUYNNCFKWVHQIP-CYBMUJFWSA-N 2 1 308.422 2.229 20 10 DECDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817958922 647393223 /nfs/dbraw/zinc/39/32/23/647393223.db2.gz MTYASBDPIPHAKS-CZUORRHYSA-N 2 1 309.429 2.296 20 10 DECDMP COc1ccc(N2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844221829 651095819 /nfs/dbraw/zinc/09/58/19/651095819.db2.gz MVWWDKRAEYTMPS-MRXNPFEDSA-N 2 1 303.450 2.207 20 10 DECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CC[NH3+] ZINC000844902613 651181115 /nfs/dbraw/zinc/18/11/15/651181115.db2.gz SYODIGMSHLLGKA-VQIMIIECSA-N 2 1 317.477 2.473 20 10 DECDMP CCc1cccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1O ZINC000848887178 651546722 /nfs/dbraw/zinc/54/67/22/651546722.db2.gz PNTSXAPWCKGHGJ-UHFFFAOYSA-N 2 1 306.450 2.233 20 10 DECDMP CCc1cccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1O ZINC000848887178 651546727 /nfs/dbraw/zinc/54/67/27/651546727.db2.gz PNTSXAPWCKGHGJ-UHFFFAOYSA-N 2 1 306.450 2.233 20 10 DECDMP CCc1cccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)c1O ZINC000848893617 651549294 /nfs/dbraw/zinc/54/92/94/651549294.db2.gz YIUPYGGJSSCSEP-UHFFFAOYSA-N 2 1 319.493 2.462 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)OCO2 ZINC000849350597 651655336 /nfs/dbraw/zinc/65/53/36/651655336.db2.gz RTIKLACJADKHNA-CQSZACIVSA-N 2 1 318.417 2.333 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000850347713 651905493 /nfs/dbraw/zinc/90/54/93/651905493.db2.gz WLXFQKGKMKVLAM-SOLBZPMBSA-N 2 1 315.461 2.490 20 10 DECDMP Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000876811444 689944052 /nfs/dbraw/zinc/94/40/52/689944052.db2.gz KODKLBKGLWEVAS-QGPMSJSTSA-N 2 1 304.434 2.384 20 10 DECDMP CC[C@]1(O)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000877691730 690193066 /nfs/dbraw/zinc/19/30/66/690193066.db2.gz UQHNOHYFARYSMF-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1c(O)cccc1F ZINC000886501239 692094325 /nfs/dbraw/zinc/09/43/25/692094325.db2.gz BVONYSZFKXOYDD-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144509413 790940051 /nfs/dbraw/zinc/94/00/51/790940051.db2.gz WAQUJQSASLUOHL-UHFFFAOYSA-N 2 1 308.422 2.356 20 10 DECDMP [NH3+][C@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1F ZINC001206153716 793272148 /nfs/dbraw/zinc/27/21/48/793272148.db2.gz FICHONHJEWIRJJ-NEPJUHHUSA-N 2 1 317.202 2.416 20 10 DECDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1F ZINC001206153716 793272152 /nfs/dbraw/zinc/27/21/52/793272152.db2.gz FICHONHJEWIRJJ-NEPJUHHUSA-N 2 1 317.202 2.416 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H](C)OC ZINC001117656408 795094522 /nfs/dbraw/zinc/09/45/22/795094522.db2.gz LHWGEZVSSNHXMV-OAHLLOKOSA-N 2 1 323.456 2.434 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H](C)OC ZINC001117656408 795094530 /nfs/dbraw/zinc/09/45/30/795094530.db2.gz LHWGEZVSSNHXMV-OAHLLOKOSA-N 2 1 323.456 2.434 20 10 DECDMP CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118881720 795234963 /nfs/dbraw/zinc/23/49/63/795234963.db2.gz GELUZDFJTHYNAD-HNNXBMFYSA-N 2 1 323.456 2.170 20 10 DECDMP CC[C@H](C)[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118881720 795234968 /nfs/dbraw/zinc/23/49/68/795234968.db2.gz GELUZDFJTHYNAD-HNNXBMFYSA-N 2 1 323.456 2.170 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139252916 796349157 /nfs/dbraw/zinc/34/91/57/796349157.db2.gz FHBKUKPQPPONLL-CZUORRHYSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139258780 796349702 /nfs/dbraw/zinc/34/97/02/796349702.db2.gz VXTMGCAQMSBBOJ-OAHLLOKOSA-N 2 1 320.433 2.263 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](C(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139258780 796349710 /nfs/dbraw/zinc/34/97/10/796349710.db2.gz VXTMGCAQMSBBOJ-OAHLLOKOSA-N 2 1 320.433 2.263 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](CO)CC2)cc(C[NH+](C)C)c1O ZINC001139256112 796349759 /nfs/dbraw/zinc/34/97/59/796349759.db2.gz UEWBQLBPKSIQKM-CQSZACIVSA-N 2 1 322.449 2.057 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@H](C(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139258779 796350189 /nfs/dbraw/zinc/35/01/89/796350189.db2.gz VXTMGCAQMSBBOJ-HNNXBMFYSA-N 2 1 320.433 2.263 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](C(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139258779 796350194 /nfs/dbraw/zinc/35/01/94/796350194.db2.gz VXTMGCAQMSBBOJ-HNNXBMFYSA-N 2 1 320.433 2.263 20 10 DECDMP CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412901 796371843 /nfs/dbraw/zinc/37/18/43/796371843.db2.gz RKQTXIFNTGAMFD-IBGZPJMESA-N 2 1 317.477 2.295 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@H]4F)cc2)CC1 ZINC001139409905 796372875 /nfs/dbraw/zinc/37/28/75/796372875.db2.gz UTOVGIPSTMNVLU-RYQLBKOJSA-N 2 1 303.425 2.371 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)cc2)CC1 ZINC001139413538 796373349 /nfs/dbraw/zinc/37/33/49/796373349.db2.gz VYEXGHIHTQQAKH-HKUYNNGSSA-N 2 1 315.461 2.049 20 10 DECDMP Cc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(O)c1 ZINC001140949528 796605539 /nfs/dbraw/zinc/60/55/39/796605539.db2.gz DGXBHDCEMYZELW-UHFFFAOYSA-N 2 1 303.406 2.331 20 10 DECDMP CN1CCOc2cc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001141145672 796639787 /nfs/dbraw/zinc/63/97/87/796639787.db2.gz XTXIJYPGKDXFKF-GOSISDBHSA-N 2 1 301.434 2.043 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC001141145672 796639788 /nfs/dbraw/zinc/63/97/88/796639788.db2.gz XTXIJYPGKDXFKF-GOSISDBHSA-N 2 1 301.434 2.043 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC001141145672 796639791 /nfs/dbraw/zinc/63/97/91/796639791.db2.gz XTXIJYPGKDXFKF-GOSISDBHSA-N 2 1 301.434 2.043 20 10 DECDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001205582159 800381289 /nfs/dbraw/zinc/38/12/89/800381289.db2.gz XEVBIJUIKISIFV-AWEZNQCLSA-N 2 1 302.777 2.404 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618331 800387855 /nfs/dbraw/zinc/38/78/55/800387855.db2.gz UUETVUMSCZQRTR-FUHWJXTLSA-N 2 1 317.477 2.330 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(O)c(OC)c1 ZINC001205655300 800394723 /nfs/dbraw/zinc/39/47/23/800394723.db2.gz ZDKDVJDODLFTPP-CHWSQXEVSA-N 2 1 308.422 2.216 20 10 DECDMP CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205788975 800421043 /nfs/dbraw/zinc/42/10/43/800421043.db2.gz UPINZCSJCXSRIA-GFCCVEGCSA-N 2 1 300.349 2.207 20 10 DECDMP CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205788975 800421047 /nfs/dbraw/zinc/42/10/47/800421047.db2.gz UPINZCSJCXSRIA-GFCCVEGCSA-N 2 1 300.349 2.207 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1C[NH3+] ZINC001206003871 800456881 /nfs/dbraw/zinc/45/68/81/800456881.db2.gz NCWMAPOREUFOKE-GOEBONIOSA-N 2 1 303.450 2.322 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)ccc21 ZINC001206311317 800505457 /nfs/dbraw/zinc/50/54/57/800505457.db2.gz MNBGJUIAURGXNS-SFHVURJKSA-N 2 1 303.450 2.466 20 10 DECDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206554509 800553763 /nfs/dbraw/zinc/55/37/63/800553763.db2.gz DHGMHEVUJTVMMW-IBGZPJMESA-N 3 1 316.493 2.047 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208603293 801026838 /nfs/dbraw/zinc/02/68/38/801026838.db2.gz AHXGWXGEYCHJTH-INIZCTEOSA-N 2 1 303.450 2.159 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208603293 801026846 /nfs/dbraw/zinc/02/68/46/801026846.db2.gz AHXGWXGEYCHJTH-INIZCTEOSA-N 2 1 303.450 2.159 20 10 DECDMP CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001560463794 1075140644 /nfs/dbraw/zinc/14/06/44/1075140644.db2.gz FZHNXLVSQWZFMO-SFHVURJKSA-N 2 1 323.456 2.074 20 10 DECDMP Cc1c2ccccc2n(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC001658190855 1080200147 /nfs/dbraw/zinc/20/01/47/1080200147.db2.gz DJPDQAUDVVVYBK-UHFFFAOYSA-N 2 1 315.461 2.423 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)cc1 ZINC001236072768 1084604528 /nfs/dbraw/zinc/60/45/28/1084604528.db2.gz JNUQHWRTNPKBPQ-LJQANCHMSA-N 2 1 316.493 2.140 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCCN2C ZINC001275420090 1091734271 /nfs/dbraw/zinc/73/42/71/1091734271.db2.gz SGHJUHNHUSFBJE-MQVJKMGUSA-N 2 1 301.434 2.230 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCCN2C ZINC001275420090 1091734278 /nfs/dbraw/zinc/73/42/78/1091734278.db2.gz SGHJUHNHUSFBJE-MQVJKMGUSA-N 2 1 301.434 2.230 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(CO)C3)cc2)CC1 ZINC001319826350 1140745697 /nfs/dbraw/zinc/74/56/97/1140745697.db2.gz KMMVENNLHLJQJN-LJQANCHMSA-N 2 1 317.477 2.033 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001319839995 1140757775 /nfs/dbraw/zinc/75/77/75/1140757775.db2.gz RGZSQIZDBAMSIS-GDBMZVCRSA-N 2 1 321.440 2.235 20 10 DECDMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC001261370510 1144239260 /nfs/dbraw/zinc/23/92/60/1144239260.db2.gz LMOUOEUDWFRXBG-JTQLQIEISA-N 2 1 301.228 2.408 20 10 DECDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000369722468 530051208 /nfs/dbraw/zinc/05/12/08/530051208.db2.gz SBKYESKZRKDYBS-UHFFFAOYSA-N 2 1 318.417 2.429 20 10 DECDMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355519 402861744 /nfs/dbraw/zinc/86/17/44/402861744.db2.gz ZDLVOYJYOANBMB-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355519 402861746 /nfs/dbraw/zinc/86/17/46/402861746.db2.gz ZDLVOYJYOANBMB-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(N2CCOCC2)cc1 ZINC000271355519 402861747 /nfs/dbraw/zinc/86/17/47/402861747.db2.gz ZDLVOYJYOANBMB-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000270810724 403226821 /nfs/dbraw/zinc/22/68/21/403226821.db2.gz HMYJNNXKFSIYRO-UHFFFAOYSA-N 2 1 314.433 2.160 20 10 DECDMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000270810724 403226823 /nfs/dbraw/zinc/22/68/23/403226823.db2.gz HMYJNNXKFSIYRO-UHFFFAOYSA-N 2 1 314.433 2.160 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000368950325 403913074 /nfs/dbraw/zinc/91/30/74/403913074.db2.gz MDIBMCRFYFELRX-UHFFFAOYSA-N 2 1 320.433 2.470 20 10 DECDMP COc1cc(C)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000894564918 637108736 /nfs/dbraw/zinc/10/87/36/637108736.db2.gz BFZGNYLOJHVVSM-OAHLLOKOSA-N 2 1 322.449 2.300 20 10 DECDMP COc1cc(C)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000894564918 637108739 /nfs/dbraw/zinc/10/87/39/637108739.db2.gz BFZGNYLOJHVVSM-OAHLLOKOSA-N 2 1 322.449 2.300 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000839187133 637813858 /nfs/dbraw/zinc/81/38/58/637813858.db2.gz BYEOMLWZLLDPEF-MJGOQNOKSA-N 2 1 315.461 2.049 20 10 DECDMP CN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000841031863 650409554 /nfs/dbraw/zinc/40/95/54/650409554.db2.gz ZPFDSFSUARVKID-HKUYNNGSSA-N 2 1 316.493 2.046 20 10 DECDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788755 640459897 /nfs/dbraw/zinc/45/98/97/640459897.db2.gz QOCDXNQFCKESBM-ACJLOTCBSA-N 2 1 300.402 2.263 20 10 DECDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788755 640459900 /nfs/dbraw/zinc/45/99/00/640459900.db2.gz QOCDXNQFCKESBM-ACJLOTCBSA-N 2 1 300.402 2.263 20 10 DECDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000769513574 641253702 /nfs/dbraw/zinc/25/37/02/641253702.db2.gz BWSVJRUBIKGXAF-INIZCTEOSA-N 2 1 322.449 2.334 20 10 DECDMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642547 642072146 /nfs/dbraw/zinc/07/21/46/642072146.db2.gz LUPYPPUAZYGTGT-AEFFLSMTSA-N 2 1 317.477 2.438 20 10 DECDMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642554 642072253 /nfs/dbraw/zinc/07/22/53/642072253.db2.gz LUPYPPUAZYGTGT-SJLPKXTDSA-N 2 1 317.477 2.438 20 10 DECDMP C[C@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOC1(C)C ZINC000775706660 642082553 /nfs/dbraw/zinc/08/25/53/642082553.db2.gz BVRKUQQHGMQEPU-MRXNPFEDSA-N 2 1 317.477 2.438 20 10 DECDMP CCOC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775733515 642086379 /nfs/dbraw/zinc/08/63/79/642086379.db2.gz FRLRSDMUWKOELR-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP CN(C)c1ccc([C@H]([NH3+])CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918340 643507030 /nfs/dbraw/zinc/50/70/30/643507030.db2.gz XAUJFYIUMUZMIG-HXUWFJFHSA-N 2 1 324.472 2.188 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904306072 643631593 /nfs/dbraw/zinc/63/15/93/643631593.db2.gz ZYVGMSLFFINWEK-LJQANCHMSA-N 2 1 317.477 2.345 20 10 DECDMP Cc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000843124570 650901071 /nfs/dbraw/zinc/90/10/71/650901071.db2.gz CDLAWNGULIUHRM-MRXNPFEDSA-N 2 1 304.434 2.196 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](C)OC ZINC000812809506 646700682 /nfs/dbraw/zinc/70/06/82/646700682.db2.gz YORUOKHMGJRZBH-MRXNPFEDSA-N 2 1 305.466 2.295 20 10 DECDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000824815276 648656548 /nfs/dbraw/zinc/65/65/48/648656548.db2.gz KXJZVENVWDKMAM-APWZRJJASA-N 2 1 317.477 2.295 20 10 DECDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000844220551 651095734 /nfs/dbraw/zinc/09/57/34/651095734.db2.gz HPFJXWVBWFZDLE-UHFFFAOYSA-N 2 1 317.477 2.345 20 10 DECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1O ZINC000844909999 651182296 /nfs/dbraw/zinc/18/22/96/651182296.db2.gz FXIVSAOUCPCGAH-BFYDXBDKSA-N 2 1 320.433 2.262 20 10 DECDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000846222160 651315911 /nfs/dbraw/zinc/31/59/11/651315911.db2.gz RYLCNFXVSWHNGO-UHFFFAOYSA-N 2 1 305.466 2.474 20 10 DECDMP CCc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000848910901 651556445 /nfs/dbraw/zinc/55/64/45/651556445.db2.gz ODJWBMURLCZTRB-UHFFFAOYSA-N 2 1 319.493 2.412 20 10 DECDMP COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646537 686539243 /nfs/dbraw/zinc/53/92/43/686539243.db2.gz LZGBDOHJURQUDS-ZYHUDNBSSA-N 2 1 318.339 2.360 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863646537 686539247 /nfs/dbraw/zinc/53/92/47/686539247.db2.gz LZGBDOHJURQUDS-ZYHUDNBSSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873228634 689189657 /nfs/dbraw/zinc/18/96/57/689189657.db2.gz VCROOELIMHVLTA-NWDGAFQWSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873228634 689189658 /nfs/dbraw/zinc/18/96/58/689189658.db2.gz VCROOELIMHVLTA-NWDGAFQWSA-N 2 1 318.339 2.360 20 10 DECDMP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1c(O)cccc1F ZINC000886607189 692130998 /nfs/dbraw/zinc/13/09/98/692130998.db2.gz MEPVZMAHGAYXST-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1c(O)cccc1F ZINC000886607189 692131000 /nfs/dbraw/zinc/13/10/00/692131000.db2.gz MEPVZMAHGAYXST-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCO3)cc2F)CC1 ZINC001177570101 794701437 /nfs/dbraw/zinc/70/14/37/794701437.db2.gz ANPZNRTYTHFDMT-INIZCTEOSA-N 2 1 321.440 2.236 20 10 DECDMP COc1cc(C[N@H+](C)Cc2ccncc2)cc(C[NH+](C)C)c1O ZINC001139256200 796350314 /nfs/dbraw/zinc/35/03/14/796350314.db2.gz WWBGYEZJOHFANT-UHFFFAOYSA-N 2 1 315.417 2.489 20 10 DECDMP COc1cc(C[N@@H+](C)Cc2ccncc2)cc(C[NH+](C)C)c1O ZINC001139256200 796350318 /nfs/dbraw/zinc/35/03/18/796350318.db2.gz WWBGYEZJOHFANT-UHFFFAOYSA-N 2 1 315.417 2.489 20 10 DECDMP C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407746 796372644 /nfs/dbraw/zinc/37/26/44/796372644.db2.gz CCTSJDNVBVXGMD-WMZOPIPTSA-N 2 1 317.477 2.031 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1OC ZINC001205578566 797313588 /nfs/dbraw/zinc/31/35/88/797313588.db2.gz FYEDPBMGDYNRDM-INIZCTEOSA-N 2 1 312.385 2.062 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205726857 800409593 /nfs/dbraw/zinc/40/95/93/800409593.db2.gz YNWMXCKWZDQVQF-SFHVURJKSA-N 2 1 306.450 2.365 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(O)c(OC)c1 ZINC001206028169 800460677 /nfs/dbraw/zinc/46/06/77/800460677.db2.gz XNGVXPXFQSBONV-OLZOCXBDSA-N 2 1 308.422 2.216 20 10 DECDMP Cc1cc(O)c(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC001231870007 801742392 /nfs/dbraw/zinc/74/23/92/801742392.db2.gz FTCXCVASWRHKHK-UHFFFAOYSA-N 2 1 311.857 2.033 20 10 DECDMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1Cn1cccn1 ZINC001579216353 1067261250 /nfs/dbraw/zinc/26/12/50/1067261250.db2.gz QKYOEOWNASRGOT-KRWDZBQOSA-N 2 1 316.449 2.403 20 10 DECDMP C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655688263 1080012814 /nfs/dbraw/zinc/01/28/14/1080012814.db2.gz WEWJCHSYKLYQQY-GJZGRUSLSA-N 2 1 323.456 2.074 20 10 DECDMP Cc1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235053544 1084288622 /nfs/dbraw/zinc/28/86/22/1084288622.db2.gz UNDMEMWOHQHUAS-FQEVSTJZSA-N 2 1 324.472 2.231 20 10 DECDMP Cc1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235053544 1084288628 /nfs/dbraw/zinc/28/86/28/1084288628.db2.gz UNDMEMWOHQHUAS-FQEVSTJZSA-N 2 1 324.472 2.231 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc2F)CC1 ZINC001256049270 1143825100 /nfs/dbraw/zinc/82/51/00/1143825100.db2.gz YXIFPFYEGCKHSZ-KRWDZBQOSA-N 2 1 323.456 2.074 20 10 DECDMP COC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001261256132 1144228347 /nfs/dbraw/zinc/22/83/47/1144228347.db2.gz WZADVZOJZIMXMJ-UHFFFAOYSA-N 2 1 321.440 2.188 20 10 DECDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000113340814 401776883 /nfs/dbraw/zinc/77/68/83/401776883.db2.gz BJOXSHWUCVRBCE-ZDUSSCGKSA-N 2 1 312.841 2.372 20 10 DECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1C ZINC000172935115 402680229 /nfs/dbraw/zinc/68/02/29/402680229.db2.gz QHYATQJLSSRVIF-INIZCTEOSA-N 2 1 304.434 2.163 20 10 DECDMP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000368330411 227008796 /nfs/dbraw/zinc/00/87/96/227008796.db2.gz VWPOXEJDURMZJQ-UKRRQHHQSA-N 2 1 321.440 2.350 20 10 DECDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161448306 525401069 /nfs/dbraw/zinc/40/10/69/525401069.db2.gz AJCDUTKDAHXHBA-CQSZACIVSA-N 2 1 321.440 2.407 20 10 DECDMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(O)c1OC ZINC000894417963 637027810 /nfs/dbraw/zinc/02/78/10/637027810.db2.gz XSTRAIJZICOOHH-YIONKMFJSA-N 2 1 320.433 2.466 20 10 DECDMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1OC ZINC000894417963 637027813 /nfs/dbraw/zinc/02/78/13/637027813.db2.gz XSTRAIJZICOOHH-YIONKMFJSA-N 2 1 320.433 2.466 20 10 DECDMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1OC ZINC000894417963 637027819 /nfs/dbraw/zinc/02/78/19/637027819.db2.gz XSTRAIJZICOOHH-YIONKMFJSA-N 2 1 320.433 2.466 20 10 DECDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(O)c1OC ZINC000894456820 637048271 /nfs/dbraw/zinc/04/82/71/637048271.db2.gz RGWDABMEMDOPLY-ZDUSSCGKSA-N 2 1 308.422 2.229 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000923425525 637170746 /nfs/dbraw/zinc/17/07/46/637170746.db2.gz ZTLNPZLGLRTBLZ-GPMSIDNRSA-N 2 1 317.477 2.471 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000923425525 637170748 /nfs/dbraw/zinc/17/07/48/637170748.db2.gz ZTLNPZLGLRTBLZ-GPMSIDNRSA-N 2 1 317.477 2.471 20 10 DECDMP COc1ccc(N2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033557 650409941 /nfs/dbraw/zinc/40/99/41/650409941.db2.gz VHSFYDDLWZWQIT-MRXNPFEDSA-N 2 1 303.450 2.396 20 10 DECDMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC000841104066 650431981 /nfs/dbraw/zinc/43/19/81/650431981.db2.gz MYFDALYZQBWBIF-GOEBONIOSA-N 2 1 308.397 2.250 20 10 DECDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000843050849 650877595 /nfs/dbraw/zinc/87/75/95/650877595.db2.gz AIDWSQGBJYEVEG-CRAIPNDOSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000843050849 650877598 /nfs/dbraw/zinc/87/75/98/650877598.db2.gz AIDWSQGBJYEVEG-CRAIPNDOSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843050889 650877787 /nfs/dbraw/zinc/87/77/87/650877787.db2.gz AOHCGTBWKNMBNK-ZBFHGGJFSA-N 2 1 321.440 2.222 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843123577 650900249 /nfs/dbraw/zinc/90/02/49/650900249.db2.gz SCAAYCNODYLBBJ-LJQANCHMSA-N 2 1 316.493 2.012 20 10 DECDMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1O ZINC000809741597 646273673 /nfs/dbraw/zinc/27/36/73/646273673.db2.gz QEEFHWNDZQOPTH-UHFFFAOYSA-N 2 1 317.836 2.110 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000818431972 647464802 /nfs/dbraw/zinc/46/48/02/647464802.db2.gz YQBMHTSDWURFMS-CYBMUJFWSA-N 2 1 320.433 2.373 20 10 DECDMP COC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824583418 648616656 /nfs/dbraw/zinc/61/66/56/648616656.db2.gz LFHSSBYAWFOLIW-IBGZPJMESA-N 2 1 317.477 2.297 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000827699051 649071107 /nfs/dbraw/zinc/07/11/07/649071107.db2.gz DJVJYNHSSQLDNS-KRWDZBQOSA-N 2 1 304.434 2.040 20 10 DECDMP Cc1cc(O)c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000827699051 649071112 /nfs/dbraw/zinc/07/11/12/649071112.db2.gz DJVJYNHSSQLDNS-KRWDZBQOSA-N 2 1 304.434 2.040 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000846051777 651304519 /nfs/dbraw/zinc/30/45/19/651304519.db2.gz IJWXWLOQTAYMFB-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646405 686539325 /nfs/dbraw/zinc/53/93/25/686539325.db2.gz SERFQLMFWVXEKA-JQWIXIFHSA-N 2 1 306.303 2.490 20 10 DECDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646405 686539328 /nfs/dbraw/zinc/53/93/28/686539328.db2.gz SERFQLMFWVXEKA-JQWIXIFHSA-N 2 1 306.303 2.490 20 10 DECDMP COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646834 686540322 /nfs/dbraw/zinc/54/03/22/686540322.db2.gz PXEZNSSDVUHWFQ-RYUDHWBXSA-N 2 1 318.339 2.360 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC001140304675 796503078 /nfs/dbraw/zinc/50/30/78/796503078.db2.gz XZJBGXIKFTUCTE-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC4(COC4)C3)cc2)CC1 ZINC001140302681 796503760 /nfs/dbraw/zinc/50/37/60/796503760.db2.gz XNQDEXDEFCXFOU-UHFFFAOYSA-N 2 1 315.461 2.051 20 10 DECDMP CN1CCOc2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC001141139485 796638309 /nfs/dbraw/zinc/63/83/09/796638309.db2.gz UWVAOCZZBKRYKR-UHFFFAOYSA-N 2 1 324.428 2.232 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205248086 800329595 /nfs/dbraw/zinc/32/95/95/800329595.db2.gz MKECVRVDLVVLNH-GOSISDBHSA-N 2 1 306.450 2.365 20 10 DECDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206617030 800565927 /nfs/dbraw/zinc/56/59/27/800565927.db2.gz YEOQHIWXZABBJL-QGZVFWFLSA-N 2 1 303.450 2.084 20 10 DECDMP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001657624109 1080180281 /nfs/dbraw/zinc/18/02/81/1080180281.db2.gz BFZFPUHWAVYPJB-KRWDZBQOSA-N 2 1 321.440 2.092 20 10 DECDMP c1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938969 1084569548 /nfs/dbraw/zinc/56/95/48/1084569548.db2.gz NCEWVAWZASLMBD-RBUKOAKNSA-N 2 1 311.473 2.427 20 10 DECDMP CO[C@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117784497 1086292471 /nfs/dbraw/zinc/29/24/71/1086292471.db2.gz JTGXMEJHGGAVRF-CQSZACIVSA-N 2 1 309.429 2.092 20 10 DECDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275267588 1091645146 /nfs/dbraw/zinc/64/51/46/1091645146.db2.gz SEHLLKXUBJTTBO-UHFFFAOYSA-N 2 1 317.477 2.242 20 10 DECDMP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275267588 1091645153 /nfs/dbraw/zinc/64/51/53/1091645153.db2.gz SEHLLKXUBJTTBO-UHFFFAOYSA-N 2 1 317.477 2.242 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cc(OC)cc1OC ZINC001276193577 1091676589 /nfs/dbraw/zinc/67/65/89/1091676589.db2.gz APNXNIQXESGOMK-YHWZYXNKSA-N 2 1 306.406 2.124 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cc(OC)cc1OC ZINC001276193577 1091676592 /nfs/dbraw/zinc/67/65/92/1091676592.db2.gz APNXNIQXESGOMK-YHWZYXNKSA-N 2 1 306.406 2.124 20 10 DECDMP CCOc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246949832 1141167739 /nfs/dbraw/zinc/16/77/39/1141167739.db2.gz QSVSBLNDJROQAN-NVXWUHKLSA-N 2 1 303.450 2.348 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(F)(F)C3)cc2F)CC1 ZINC001321918758 1141365260 /nfs/dbraw/zinc/36/52/60/1141365260.db2.gz HCLQTWMRIRYFPK-UHFFFAOYSA-N 2 1 313.367 2.465 20 10 DECDMP CO[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323782037 1141886111 /nfs/dbraw/zinc/88/61/11/1141886111.db2.gz SELZLDJMRRYWAP-AWEZNQCLSA-N 2 1 309.429 2.044 20 10 DECDMP CO[C@@H](C)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323782037 1141886112 /nfs/dbraw/zinc/88/61/12/1141886112.db2.gz SELZLDJMRRYWAP-AWEZNQCLSA-N 2 1 309.429 2.044 20 10 DECDMP CO[C@@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323782037 1141886113 /nfs/dbraw/zinc/88/61/13/1141886113.db2.gz SELZLDJMRRYWAP-AWEZNQCLSA-N 2 1 309.429 2.044 20 10 DECDMP CO[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001254005173 1143025624 /nfs/dbraw/zinc/02/56/24/1143025624.db2.gz TVTUSOSUWIAWJP-MRXNPFEDSA-N 2 1 321.440 2.188 20 10 DECDMP CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001254005173 1143025635 /nfs/dbraw/zinc/02/56/35/1143025635.db2.gz TVTUSOSUWIAWJP-MRXNPFEDSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000185647810 402366788 /nfs/dbraw/zinc/36/67/88/402366788.db2.gz HFGXOODCOAGMON-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185144857 402328168 /nfs/dbraw/zinc/32/81/68/402328168.db2.gz WTFAMCROHCXJPV-ZDUSSCGKSA-N 2 1 308.422 2.162 20 10 DECDMP Cc1ccc(O)c(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922386440 636151973 /nfs/dbraw/zinc/15/19/73/636151973.db2.gz HHVPQKLSKQOHIY-NXWXRZEISA-N 2 1 318.461 2.270 20 10 DECDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(O)c1OC ZINC000894497349 637069324 /nfs/dbraw/zinc/06/93/24/637069324.db2.gz XTFXBKDBSGZZOM-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497349 637069330 /nfs/dbraw/zinc/06/93/30/637069330.db2.gz XTFXBKDBSGZZOM-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497349 637069339 /nfs/dbraw/zinc/06/93/39/637069339.db2.gz XTFXBKDBSGZZOM-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(O)c1OC ZINC000895587192 638098190 /nfs/dbraw/zinc/09/81/90/638098190.db2.gz KPSZQYKSFTUMCA-CYBMUJFWSA-N 2 1 308.422 2.231 20 10 DECDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467646 642268928 /nfs/dbraw/zinc/26/89/28/642268928.db2.gz MFSQCWKOQMOZND-QFBILLFUSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467646 642268934 /nfs/dbraw/zinc/26/89/34/642268934.db2.gz MFSQCWKOQMOZND-QFBILLFUSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467646 642268937 /nfs/dbraw/zinc/26/89/37/642268937.db2.gz MFSQCWKOQMOZND-QFBILLFUSA-N 2 1 317.477 2.295 20 10 DECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467646 642268942 /nfs/dbraw/zinc/26/89/42/642268942.db2.gz MFSQCWKOQMOZND-QFBILLFUSA-N 2 1 317.477 2.295 20 10 DECDMP CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000783603757 643026088 /nfs/dbraw/zinc/02/60/88/643026088.db2.gz XREFXNVUEKGACM-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000902448688 643044944 /nfs/dbraw/zinc/04/49/44/643044944.db2.gz GZEZIZHKXPMRSK-QGZVFWFLSA-N 2 1 303.450 2.252 20 10 DECDMP CCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000843044159 650875778 /nfs/dbraw/zinc/87/57/78/650875778.db2.gz FUVIGAQFQKFPJW-UHFFFAOYSA-N 2 1 317.477 2.487 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000818964741 647552139 /nfs/dbraw/zinc/55/21/39/647552139.db2.gz GBEYIRISBJKTSE-GOSISDBHSA-N 2 1 305.466 2.078 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000818964741 647552141 /nfs/dbraw/zinc/55/21/41/647552141.db2.gz GBEYIRISBJKTSE-GOSISDBHSA-N 2 1 305.466 2.078 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000819377318 647647324 /nfs/dbraw/zinc/64/73/24/647647324.db2.gz PKNGYTYUGOQBOG-BEFAXECRSA-N 2 1 319.493 2.037 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000819377318 647647344 /nfs/dbraw/zinc/64/73/44/647647344.db2.gz PKNGYTYUGOQBOG-BEFAXECRSA-N 2 1 319.493 2.037 20 10 DECDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1COC1 ZINC000824472833 648594262 /nfs/dbraw/zinc/59/42/62/648594262.db2.gz ZJYPLGYMMFVJLC-UHFFFAOYSA-N 2 1 303.450 2.048 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000071939946 649243955 /nfs/dbraw/zinc/24/39/55/649243955.db2.gz AJNKGKUHCWTEIB-QGZVFWFLSA-N 2 1 315.461 2.097 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000844900985 651180736 /nfs/dbraw/zinc/18/07/36/651180736.db2.gz CRGCQXNMGZVEJN-JOQOYGCGSA-N 2 1 320.433 2.119 20 10 DECDMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000844903462 651180956 /nfs/dbraw/zinc/18/09/56/651180956.db2.gz ZPNNODUSTNYBBS-BHYGNILZSA-N 2 1 304.434 2.419 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844903151 651180985 /nfs/dbraw/zinc/18/09/85/651180985.db2.gz TXZZSHTZFCKPET-SUNYJGFJSA-N 2 1 320.433 2.119 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844903150 651181102 /nfs/dbraw/zinc/18/11/02/651181102.db2.gz TXZZSHTZFCKPET-PMUMKWKESA-N 2 1 320.433 2.119 20 10 DECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000844910005 651182104 /nfs/dbraw/zinc/18/21/04/651182104.db2.gz FXIVSAOUCPCGAH-ZMSDIMECSA-N 2 1 320.433 2.262 20 10 DECDMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(O)c1 ZINC000873227232 689188523 /nfs/dbraw/zinc/18/85/23/689188523.db2.gz IFVBFVDTHSHEGF-WCQYABFASA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(O)c1 ZINC000873227232 689188524 /nfs/dbraw/zinc/18/85/24/689188524.db2.gz IFVBFVDTHSHEGF-WCQYABFASA-N 2 1 318.339 2.360 20 10 DECDMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886522320 692100848 /nfs/dbraw/zinc/10/08/48/692100848.db2.gz HDTQEMWXQQMCDQ-HUUCEWRRSA-N 2 1 323.456 2.456 20 10 DECDMP COc1ccc(O)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001353605868 1151841758 /nfs/dbraw/zinc/84/17/58/1151841758.db2.gz YAVUDJRGCXEKTK-UHFFFAOYSA-N 2 1 320.433 2.134 20 10 DECDMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1C[NH3+] ZINC001205150917 782892295 /nfs/dbraw/zinc/89/22/95/782892295.db2.gz MNPFAXOVXJPILQ-GXSJLCMTSA-N 2 1 304.312 2.317 20 10 DECDMP CCCO[C@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257255 796350553 /nfs/dbraw/zinc/35/05/53/796350553.db2.gz WDBSPDAWYYGFBP-INIZCTEOSA-N 2 1 322.449 2.463 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1=O ZINC001139404731 796371189 /nfs/dbraw/zinc/37/11/89/796371189.db2.gz YECCGKWVPBRYJY-INIZCTEOSA-N 2 1 315.461 2.239 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)cc2)CC1 ZINC001139408036 796372660 /nfs/dbraw/zinc/37/26/60/796372660.db2.gz IYLQNUHCHUJHKP-HDICACEKSA-N 2 1 313.445 2.134 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC001204087801 800171635 /nfs/dbraw/zinc/17/16/35/800171635.db2.gz CHUNSIGZHXGXON-RBOXIYTFSA-N 2 1 309.404 2.461 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1F ZINC001204087801 800171640 /nfs/dbraw/zinc/17/16/40/800171640.db2.gz CHUNSIGZHXGXON-RBOXIYTFSA-N 2 1 309.404 2.461 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1C[NH3+] ZINC001205146449 800305253 /nfs/dbraw/zinc/30/52/53/800305253.db2.gz WWQBJKPIMOMOOC-DZGCQCFKSA-N 2 1 323.868 2.203 20 10 DECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673826 800398327 /nfs/dbraw/zinc/39/83/27/800398327.db2.gz UNOGDALOTGGAGR-IBGZPJMESA-N 2 1 317.477 2.353 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816275 800426206 /nfs/dbraw/zinc/42/62/06/800426206.db2.gz KYEJIMAZAMMOGY-QAPCUYQASA-N 2 1 303.450 2.082 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816275 800426208 /nfs/dbraw/zinc/42/62/08/800426208.db2.gz KYEJIMAZAMMOGY-QAPCUYQASA-N 2 1 303.450 2.082 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC001206556476 800554331 /nfs/dbraw/zinc/55/43/31/800554331.db2.gz SODWWHJYYFHNDF-KRWDZBQOSA-N 2 1 308.422 2.360 20 10 DECDMP Oc1ccc2ccccc2c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099857 802643464 /nfs/dbraw/zinc/64/34/64/802643464.db2.gz NVEWIWPLUSLFNA-UHFFFAOYSA-N 2 1 311.429 2.073 20 10 DECDMP CC(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222104627 802645034 /nfs/dbraw/zinc/64/50/34/802645034.db2.gz JZKYZTBYGZKCIY-UHFFFAOYSA-N 2 1 303.450 2.043 20 10 DECDMP COc1cc(C)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c1 ZINC001462482966 1058833753 /nfs/dbraw/zinc/83/37/53/1058833753.db2.gz YDUNKQQAQXEQJE-HNNXBMFYSA-N 2 1 322.449 2.252 20 10 DECDMP CC(C)[C@H](CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655717244 1080013814 /nfs/dbraw/zinc/01/38/14/1080013814.db2.gz BLYIKGBRCOQJAI-KRWDZBQOSA-N 2 1 323.456 2.074 20 10 DECDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001275267135 1091644798 /nfs/dbraw/zinc/64/47/98/1091644798.db2.gz KOKOCAYSKRWLQR-IBGZPJMESA-N 2 1 317.477 2.242 20 10 DECDMP CN1CCOc2cc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)ccc21 ZINC001275419165 1091733258 /nfs/dbraw/zinc/73/32/58/1091733258.db2.gz JAVLROKOJMKHRV-UHFFFAOYSA-N 2 1 315.461 2.433 20 10 DECDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236321498 1138351985 /nfs/dbraw/zinc/35/19/85/1138351985.db2.gz UJMUSMOSLUHVAO-TXEJJXNPSA-N 2 1 310.825 2.486 20 10 DECDMP CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933686 1138460831 /nfs/dbraw/zinc/46/08/31/1138460831.db2.gz ZLGGXOGNAIMYSU-QGZVFWFLSA-N 2 1 321.440 2.188 20 10 DECDMP CC(C)[N@@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939579 1138462465 /nfs/dbraw/zinc/46/24/65/1138462465.db2.gz SSYZYPNJRNHAOQ-UHFFFAOYSA-N 2 1 323.456 2.170 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(CO)C3)cc2)CC1 ZINC001319826349 1140746069 /nfs/dbraw/zinc/74/60/69/1140746069.db2.gz KMMVENNLHLJQJN-IBGZPJMESA-N 2 1 317.477 2.033 20 10 DECDMP C[N@H+]1CCC[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001254510810 1143163855 /nfs/dbraw/zinc/16/38/55/1143163855.db2.gz YCSJIKIUHLYWQZ-KRWDZBQOSA-N 2 1 317.477 2.431 20 10 DECDMP COc1ccc(N2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254516451 1143174907 /nfs/dbraw/zinc/17/49/07/1143174907.db2.gz MLVGTWAMFWRCKE-MRXNPFEDSA-N 2 1 303.450 2.302 20 10 DECDMP COc1ccc(N2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254516451 1143174914 /nfs/dbraw/zinc/17/49/14/1143174914.db2.gz MLVGTWAMFWRCKE-MRXNPFEDSA-N 2 1 303.450 2.302 20 10 DECDMP C[C@H](CCCO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326447946 1148102773 /nfs/dbraw/zinc/10/27/73/1148102773.db2.gz ZMCGKUKBFYHYRC-OAHLLOKOSA-N 2 1 323.456 2.076 20 10 DECDMP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285524989 131177880 /nfs/dbraw/zinc/17/78/80/131177880.db2.gz BJUCVDVYJXIZGO-BBRMVZONSA-N 2 1 309.429 2.208 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925794827 635363174 /nfs/dbraw/zinc/36/31/74/635363174.db2.gz FSQVFIDKXKPKAB-MBNYWOFBSA-N 2 1 306.406 2.075 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000923425526 637170966 /nfs/dbraw/zinc/17/09/66/637170966.db2.gz ZTLNPZLGLRTBLZ-JTDSTZFVSA-N 2 1 317.477 2.471 20 10 DECDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000923425526 637170968 /nfs/dbraw/zinc/17/09/68/637170968.db2.gz ZTLNPZLGLRTBLZ-JTDSTZFVSA-N 2 1 317.477 2.471 20 10 DECDMP COc1cc(C)cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000895083519 637527016 /nfs/dbraw/zinc/52/70/16/637527016.db2.gz LBGRTAFRSPSZEG-UHFFFAOYSA-N 2 1 320.433 2.006 20 10 DECDMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841096044 650429621 /nfs/dbraw/zinc/42/96/21/650429621.db2.gz RPJSEPZZAMNLCQ-HNNXBMFYSA-N 2 1 309.429 2.125 20 10 DECDMP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841743042 650555935 /nfs/dbraw/zinc/55/59/35/650555935.db2.gz BVJMCWGKKRIBOM-ZDUSSCGKSA-N 2 1 311.857 2.334 20 10 DECDMP Cc1cc(N)nc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH+]1 ZINC000897521092 640536525 /nfs/dbraw/zinc/53/65/25/640536525.db2.gz CCYPOQRTXFQIBJ-HNNXBMFYSA-N 2 1 314.437 2.148 20 10 DECDMP CO[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C ZINC000784668605 643162496 /nfs/dbraw/zinc/16/24/96/643162496.db2.gz RRGCFDNTWREPOW-QFBILLFUSA-N 2 1 317.477 2.295 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000843053180 650878468 /nfs/dbraw/zinc/87/84/68/650878468.db2.gz IVWVPERRVQDGKQ-SJLPKXTDSA-N 2 1 303.450 2.082 20 10 DECDMP Cc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000843124569 650901427 /nfs/dbraw/zinc/90/14/27/650901427.db2.gz CDLAWNGULIUHRM-INIZCTEOSA-N 2 1 304.434 2.196 20 10 DECDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000841085658 644880128 /nfs/dbraw/zinc/88/01/28/644880128.db2.gz AFSRXPJBVDDMTK-QGZVFWFLSA-N 2 1 321.440 2.269 20 10 DECDMP CCOC1CC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809773583 646282499 /nfs/dbraw/zinc/28/24/99/646282499.db2.gz GHXDXYZZXBJVCX-UHFFFAOYSA-N 2 1 317.477 2.438 20 10 DECDMP CN(C)c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1F ZINC000809787407 646283353 /nfs/dbraw/zinc/28/33/53/646283353.db2.gz CATNSLDSJHMSSS-UHFFFAOYSA-N 2 1 324.488 2.207 20 10 DECDMP Cc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)ccc1N(C)C ZINC000815050021 646960504 /nfs/dbraw/zinc/96/05/04/646960504.db2.gz NWVZLHWDXNAZAY-UHFFFAOYSA-N 2 1 319.493 2.340 20 10 DECDMP Cc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)ccc1N(C)C ZINC000815050021 646960508 /nfs/dbraw/zinc/96/05/08/646960508.db2.gz NWVZLHWDXNAZAY-UHFFFAOYSA-N 2 1 319.493 2.340 20 10 DECDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2F)C[C@@H](C)O1 ZINC000817889079 647371481 /nfs/dbraw/zinc/37/14/81/647371481.db2.gz RVMDMLITTYKROF-BQGCOEIASA-N 2 1 321.440 2.409 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000817946886 647390757 /nfs/dbraw/zinc/39/07/57/647390757.db2.gz HECILNILXWAZHR-SGMGOOAPSA-N 2 1 306.406 2.218 20 10 DECDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965485 647396105 /nfs/dbraw/zinc/39/61/05/647396105.db2.gz RMBMMXNUDQVWEW-WBMJQRKESA-N 2 1 307.413 2.050 20 10 DECDMP CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824636881 648628310 /nfs/dbraw/zinc/62/83/10/648628310.db2.gz UUGVIOAFHJSWGS-HKUYNNGSSA-N 2 1 317.477 2.031 20 10 DECDMP CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824636882 648628347 /nfs/dbraw/zinc/62/83/47/648628347.db2.gz UUGVIOAFHJSWGS-IEBWSBKVSA-N 2 1 317.477 2.031 20 10 DECDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1O ZINC000185367489 649511374 /nfs/dbraw/zinc/51/13/74/649511374.db2.gz LWRIKPBOOOAYCF-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000844900988 651180494 /nfs/dbraw/zinc/18/04/94/651180494.db2.gz CRGCQXNMGZVEJN-YEWWUXTCSA-N 2 1 320.433 2.119 20 10 DECDMP COc1c(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901146 651180502 /nfs/dbraw/zinc/18/05/02/651180502.db2.gz FLDSJNHNLJGQLT-YPMHNXCESA-N 2 1 323.393 2.258 20 10 DECDMP COc1c(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901146 651180503 /nfs/dbraw/zinc/18/05/03/651180503.db2.gz FLDSJNHNLJGQLT-YPMHNXCESA-N 2 1 323.393 2.258 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000844901926 651180714 /nfs/dbraw/zinc/18/07/14/651180714.db2.gz JIPLGALPZOCFFF-MJEQTWJJSA-N 2 1 308.397 2.250 20 10 DECDMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218186 652659853 /nfs/dbraw/zinc/65/98/53/652659853.db2.gz TTYZWKSDIAHCJK-WBAXXEDZSA-N 2 1 303.450 2.394 20 10 DECDMP CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000854229979 652661479 /nfs/dbraw/zinc/66/14/79/652661479.db2.gz BYBFXUNJXMZRBS-OALUTQOASA-N 2 1 317.477 2.268 20 10 DECDMP COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863645702 686539307 /nfs/dbraw/zinc/53/93/07/686539307.db2.gz KVFNSTWJULFRKW-AAEUAGOBSA-N 2 1 318.339 2.360 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863645702 686539311 /nfs/dbraw/zinc/53/93/11/686539311.db2.gz KVFNSTWJULFRKW-AAEUAGOBSA-N 2 1 318.339 2.360 20 10 DECDMP COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646529 686539487 /nfs/dbraw/zinc/53/94/87/686539487.db2.gz LZGBDOHJURQUDS-CMPLNLGQSA-N 2 1 318.339 2.360 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646529 686539490 /nfs/dbraw/zinc/53/94/90/686539490.db2.gz LZGBDOHJURQUDS-CMPLNLGQSA-N 2 1 318.339 2.360 20 10 DECDMP CN(C)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000873228642 689189151 /nfs/dbraw/zinc/18/91/51/689189151.db2.gz VDYUOWQJSRNSDL-JSGCOSHPSA-N 2 1 301.356 2.322 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000873228642 689189154 /nfs/dbraw/zinc/18/91/54/689189154.db2.gz VDYUOWQJSRNSDL-JSGCOSHPSA-N 2 1 301.356 2.322 20 10 DECDMP Cc1cccc(O)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000876696680 689906422 /nfs/dbraw/zinc/90/64/22/689906422.db2.gz IMLTUQMINJBTBP-KRWDZBQOSA-N 2 1 317.477 2.303 20 10 DECDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876918060 689972302 /nfs/dbraw/zinc/97/23/02/689972302.db2.gz XQTBOZZEONOHLQ-UHFFFAOYSA-N 2 1 319.493 2.468 20 10 DECDMP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791635 693342984 /nfs/dbraw/zinc/34/29/84/693342984.db2.gz MKQHDWRZSRZDRE-ZIAGYGMSSA-N 2 1 320.433 2.210 20 10 DECDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(N(C)C)cc1 ZINC000925844958 693351906 /nfs/dbraw/zinc/35/19/06/693351906.db2.gz MTVKONCUOQXVMZ-KRWDZBQOSA-N 2 1 318.509 2.479 20 10 DECDMP C[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001179729920 795165671 /nfs/dbraw/zinc/16/56/71/795165671.db2.gz QBBUZLIDLRLEMR-AWEZNQCLSA-N 2 1 323.456 2.074 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139254119 796349893 /nfs/dbraw/zinc/34/98/93/796349893.db2.gz DWHNLZQVDPTCJK-PBHICJAKSA-N 2 1 320.433 2.073 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](OC)C3)cc2)CC1 ZINC001140302402 796503412 /nfs/dbraw/zinc/50/34/12/796503412.db2.gz RBWZFXUXBMZYSK-GOSISDBHSA-N 2 1 303.450 2.049 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(O)c(OC)c1 ZINC001205590978 797351248 /nfs/dbraw/zinc/35/12/48/797351248.db2.gz ABHQKUOERQYNAD-INIZCTEOSA-N 2 1 312.385 2.062 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1F ZINC001204087799 800171675 /nfs/dbraw/zinc/17/16/75/800171675.db2.gz CHUNSIGZHXGXON-NORZTCDRSA-N 2 1 309.404 2.461 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1F ZINC001204087799 800171677 /nfs/dbraw/zinc/17/16/77/800171677.db2.gz CHUNSIGZHXGXON-NORZTCDRSA-N 2 1 309.404 2.461 20 10 DECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)cc3O)C[C@@H]2C1 ZINC001232841572 801970960 /nfs/dbraw/zinc/97/09/60/801970960.db2.gz KGARJQFSCKMWAR-IYBDPMFKSA-N 2 1 303.450 2.232 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3O)C[C@@H]2C1 ZINC001232841572 801970964 /nfs/dbraw/zinc/97/09/64/801970964.db2.gz KGARJQFSCKMWAR-IYBDPMFKSA-N 2 1 303.450 2.232 20 10 DECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3O)C[C@@H]2C1 ZINC001232841572 801970970 /nfs/dbraw/zinc/97/09/70/801970970.db2.gz KGARJQFSCKMWAR-IYBDPMFKSA-N 2 1 303.450 2.232 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222095016 802641116 /nfs/dbraw/zinc/64/11/16/802641116.db2.gz MEWYJEKFCFEUIB-UHFFFAOYSA-N 2 1 317.477 2.217 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222099536 802643502 /nfs/dbraw/zinc/64/35/02/802643502.db2.gz GYTCEMVQCXGEOH-UHFFFAOYSA-N 2 1 317.477 2.217 20 10 DECDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1O ZINC001621312305 1078173018 /nfs/dbraw/zinc/17/30/18/1078173018.db2.gz LWVCKLPNGOAICO-UHFFFAOYSA-N 2 1 311.857 2.115 20 10 DECDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116890 1066497043 /nfs/dbraw/zinc/49/70/43/1066497043.db2.gz BNCGLWWZNZBTES-NVXWUHKLSA-N 2 1 317.477 2.207 20 10 DECDMP CC(C)c1ccc(O)c(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC001652137981 1079853657 /nfs/dbraw/zinc/85/36/57/1079853657.db2.gz UFZNJVRKPBCMJV-UHFFFAOYSA-N 2 1 306.450 2.452 20 10 DECDMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112487 1091560297 /nfs/dbraw/zinc/56/02/97/1091560297.db2.gz GRUKUHJCHHZCSO-KRWDZBQOSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112487 1091560307 /nfs/dbraw/zinc/56/03/07/1091560307.db2.gz GRUKUHJCHHZCSO-KRWDZBQOSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112487 1091560316 /nfs/dbraw/zinc/56/03/16/1091560316.db2.gz GRUKUHJCHHZCSO-KRWDZBQOSA-N 2 1 306.406 2.111 20 10 DECDMP Cc1cc(Cl)cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001237685219 1138758359 /nfs/dbraw/zinc/75/83/59/1138758359.db2.gz FKUPJWOVQDEGMX-UHFFFAOYSA-N 2 1 311.857 2.033 20 10 DECDMP C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320968396 1141012462 /nfs/dbraw/zinc/01/24/62/1141012462.db2.gz ZDXDKQYHSXOIBD-RDTXWAMCSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1O ZINC001308708344 1147483324 /nfs/dbraw/zinc/48/33/24/1147483324.db2.gz BTTDNPVBGRARGX-ZDUSSCGKSA-N 2 1 311.857 2.161 20 10 DECDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc3c(cc2O)OCO3)CC1 ZINC000375471949 530051048 /nfs/dbraw/zinc/05/10/48/530051048.db2.gz JBWUYVXNSZEIGD-UHFFFAOYSA-N 2 1 304.390 2.181 20 10 DECDMP CN(C)c1ccc(C[N@H+](C[C@H](O)CN(C)C2CC2)C2CC2)cc1 ZINC000289718065 403995327 /nfs/dbraw/zinc/99/53/27/403995327.db2.gz GRLSRINRMWZDHM-LJQANCHMSA-N 2 1 317.477 2.172 20 10 DECDMP Cc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000289870746 404003869 /nfs/dbraw/zinc/00/38/69/404003869.db2.gz RHKCTPXMWWBWJJ-UHFFFAOYSA-N 2 1 305.466 2.158 20 10 DECDMP Cc1cc(O)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1C ZINC000290275368 404108559 /nfs/dbraw/zinc/10/85/59/404108559.db2.gz YMIZREVRPZPBQY-UHFFFAOYSA-N 2 1 307.482 2.324 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000160433962 522779224 /nfs/dbraw/zinc/77/92/24/522779224.db2.gz KNZUNKWGBAPEOM-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000160433962 522779232 /nfs/dbraw/zinc/77/92/32/522779232.db2.gz KNZUNKWGBAPEOM-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000160433962 522779244 /nfs/dbraw/zinc/77/92/44/522779244.db2.gz KNZUNKWGBAPEOM-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001327497867 1148569439 /nfs/dbraw/zinc/56/94/39/1148569439.db2.gz GJAYXSJHKNBBFM-UHFFFAOYSA-N 2 1 321.440 2.236 20 10 DECDMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(O)c1OC ZINC000891671340 624525196 /nfs/dbraw/zinc/52/51/96/624525196.db2.gz OMNKQYCPDWEYON-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(O)c1OC ZINC000891671340 624525197 /nfs/dbraw/zinc/52/51/97/624525197.db2.gz OMNKQYCPDWEYON-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000891671340 624525198 /nfs/dbraw/zinc/52/51/98/624525198.db2.gz OMNKQYCPDWEYON-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000841086288 650427007 /nfs/dbraw/zinc/42/70/07/650427007.db2.gz HRWKDLKWYIWIND-GOSISDBHSA-N 2 1 303.450 2.130 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000841088535 650427937 /nfs/dbraw/zinc/42/79/37/650427937.db2.gz ZAJBADYMVLTNGW-DZGCQCFKSA-N 2 1 320.433 2.373 20 10 DECDMP CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762555285 640438159 /nfs/dbraw/zinc/43/81/59/640438159.db2.gz DHIJMKGTNWVUBZ-IBGZPJMESA-N 2 1 319.493 2.469 20 10 DECDMP CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762555285 640438163 /nfs/dbraw/zinc/43/81/63/640438163.db2.gz DHIJMKGTNWVUBZ-IBGZPJMESA-N 2 1 319.493 2.469 20 10 DECDMP C[C@@H]1C[C@@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000898447178 641665128 /nfs/dbraw/zinc/66/51/28/641665128.db2.gz GJHJVUHGEAEERR-AYBZRNKSSA-N 2 1 318.509 2.428 20 10 DECDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1O ZINC000775502890 642052907 /nfs/dbraw/zinc/05/29/07/642052907.db2.gz XUKQNNZRQMHTIM-ZBFHGGJFSA-N 2 1 319.449 2.020 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(C)(C)O1 ZINC000775662602 642074369 /nfs/dbraw/zinc/07/43/69/642074369.db2.gz VASTUHIPAQBQFR-MRXNPFEDSA-N 2 1 317.477 2.438 20 10 DECDMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000779149530 642467598 /nfs/dbraw/zinc/46/75/98/642467598.db2.gz FPBBYSKPDXIOIN-IBGZPJMESA-N 2 1 317.477 2.295 20 10 DECDMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000903426827 643345614 /nfs/dbraw/zinc/34/56/14/643345614.db2.gz OZSYJQIZTSBQCW-PVAVHDDUSA-N 2 1 304.434 2.229 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000903442270 643353626 /nfs/dbraw/zinc/35/36/26/643353626.db2.gz NHBMOKUUHKSBRH-CVEARBPZSA-N 2 1 303.450 2.335 20 10 DECDMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000843414181 650969693 /nfs/dbraw/zinc/96/96/93/650969693.db2.gz WASVYPCFBBFBCO-LJQANCHMSA-N 2 1 317.477 2.438 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](C)OC ZINC000812809505 646700818 /nfs/dbraw/zinc/70/08/18/646700818.db2.gz YORUOKHMGJRZBH-INIZCTEOSA-N 2 1 305.466 2.295 20 10 DECDMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817939347 647387766 /nfs/dbraw/zinc/38/77/66/647387766.db2.gz DGIIYCIAQMPALB-CYBMUJFWSA-N 2 1 311.857 2.437 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000817957632 647392840 /nfs/dbraw/zinc/39/28/40/647392840.db2.gz NGJNYPOGHYLVAO-STQMWFEESA-N 2 1 306.406 2.219 20 10 DECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CC[NH3+] ZINC000844902611 651181094 /nfs/dbraw/zinc/18/10/94/651181094.db2.gz SYODIGMSHLLGKA-LPHOPBHVSA-N 2 1 317.477 2.473 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000844913064 651182645 /nfs/dbraw/zinc/18/26/45/651182645.db2.gz YFPHRALUAHFWJF-YXJHDRRASA-N 2 1 320.433 2.262 20 10 DECDMP COc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1O ZINC000846146407 651310925 /nfs/dbraw/zinc/31/09/25/651310925.db2.gz QODHKOLSWAVGRK-CABCVRRESA-N 2 1 322.449 2.288 20 10 DECDMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776846 651350733 /nfs/dbraw/zinc/35/07/33/651350733.db2.gz ZILLAAXVEUMCAC-SFHVURJKSA-N 2 1 307.482 2.276 20 10 DECDMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776846 651350734 /nfs/dbraw/zinc/35/07/34/651350734.db2.gz ZILLAAXVEUMCAC-SFHVURJKSA-N 2 1 307.482 2.276 20 10 DECDMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776846 651350736 /nfs/dbraw/zinc/35/07/36/651350736.db2.gz ZILLAAXVEUMCAC-SFHVURJKSA-N 2 1 307.482 2.276 20 10 DECDMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000846776846 651350737 /nfs/dbraw/zinc/35/07/37/651350737.db2.gz ZILLAAXVEUMCAC-SFHVURJKSA-N 2 1 307.482 2.276 20 10 DECDMP CCc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1O ZINC000848897289 651550443 /nfs/dbraw/zinc/55/04/43/651550443.db2.gz OGANXUSIQMYADM-QGZVFWFLSA-N 2 1 306.450 2.281 20 10 DECDMP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000850222833 651865766 /nfs/dbraw/zinc/86/57/66/651865766.db2.gz PAPGEVDGQLMPAK-GOSISDBHSA-N 2 1 324.465 2.101 20 10 DECDMP CCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000850395927 651919450 /nfs/dbraw/zinc/91/94/50/651919450.db2.gz FFDHCXOHZIDKDT-INIZCTEOSA-N 2 1 320.433 2.134 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217682 652659762 /nfs/dbraw/zinc/65/97/62/652659762.db2.gz OPLGFWJTGFLPQW-RVKKMQEKSA-N 2 1 303.450 2.394 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000873240142 689191484 /nfs/dbraw/zinc/19/14/84/689191484.db2.gz KPFXYIOERKTFMP-OBJOEFQTSA-N 2 1 306.406 2.347 20 10 DECDMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(O)c1 ZINC000876696551 689906768 /nfs/dbraw/zinc/90/67/68/689906768.db2.gz HMKBQYJRYYPJIO-GOSISDBHSA-N 2 1 317.477 2.303 20 10 DECDMP C[NH+](C)CCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522624 690140026 /nfs/dbraw/zinc/14/00/26/690140026.db2.gz PPUYIKJYAHQMHJ-UHFFFAOYSA-N 2 1 305.466 2.031 20 10 DECDMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522624 690140029 /nfs/dbraw/zinc/14/00/29/690140029.db2.gz PPUYIKJYAHQMHJ-UHFFFAOYSA-N 2 1 305.466 2.031 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(C)(C)O)C3)cc2)CC1 ZINC000877836542 690247615 /nfs/dbraw/zinc/24/76/15/690247615.db2.gz ZTZLNFAWBIVNNI-QGZVFWFLSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC(C)(OC)C3)cc2)CC1 ZINC001140299881 796503102 /nfs/dbraw/zinc/50/31/02/796503102.db2.gz HYHLMSGIWNJWMU-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570912 800378815 /nfs/dbraw/zinc/37/88/15/800378815.db2.gz POJNCYVITXLWKA-KRWDZBQOSA-N 2 1 309.429 2.414 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205626528 800388934 /nfs/dbraw/zinc/38/89/34/800388934.db2.gz GYWOVZRUHGMUOO-CHWSQXEVSA-N 2 1 308.422 2.216 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205725189 800408487 /nfs/dbraw/zinc/40/84/87/800408487.db2.gz DBSABESADKABHG-GOSISDBHSA-N 2 1 306.450 2.365 20 10 DECDMP C[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1[NH3+] ZINC001205868674 800434353 /nfs/dbraw/zinc/43/43/53/800434353.db2.gz NXIJDVJMFAZZMT-DYVFJYSZSA-N 2 1 315.461 2.260 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1[NH3+] ZINC001205868674 800434357 /nfs/dbraw/zinc/43/43/57/800434357.db2.gz NXIJDVJMFAZZMT-DYVFJYSZSA-N 2 1 315.461 2.260 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206173958 800484094 /nfs/dbraw/zinc/48/40/94/800484094.db2.gz KVQRRTRRSMGOBJ-HOTGVXAUSA-N 2 1 309.429 2.500 20 10 DECDMP COCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001345275878 1150878134 /nfs/dbraw/zinc/87/81/34/1150878134.db2.gz KISWQGDCFUMXFL-UHFFFAOYSA-N 2 1 321.440 2.236 20 10 DECDMP CC[N@H+]1CC[C@@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234658032 1084190825 /nfs/dbraw/zinc/19/08/25/1084190825.db2.gz RGQWSEVOLQUDLD-GOSISDBHSA-N 2 1 303.450 2.302 20 10 DECDMP CO[C@@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117784496 1086293054 /nfs/dbraw/zinc/29/30/54/1086293054.db2.gz JTGXMEJHGGAVRF-AWEZNQCLSA-N 2 1 309.429 2.092 20 10 DECDMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1O ZINC001275968773 1092398185 /nfs/dbraw/zinc/39/81/85/1092398185.db2.gz MFBHSZLFUVMSQV-FUHWJXTLSA-N 2 1 317.477 2.077 20 10 DECDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001253203591 1142853442 /nfs/dbraw/zinc/85/34/42/1142853442.db2.gz IWCYZPOJTDVXMN-SFHVURJKSA-N 2 1 305.466 2.079 20 10 DECDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(O)cccc1Cl ZINC000289403577 131384224 /nfs/dbraw/zinc/38/42/24/131384224.db2.gz GWOQYMXJNHYVST-UHFFFAOYSA-N 2 1 311.857 2.115 20 10 DECDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277974113 403276048 /nfs/dbraw/zinc/27/60/48/403276048.db2.gz SVVQDISTRUZPFA-HNNXBMFYSA-N 2 1 323.456 2.482 20 10 DECDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297731274 404606819 /nfs/dbraw/zinc/60/68/19/404606819.db2.gz NPKKVOOLBQIUKP-CVEARBPZSA-N 2 1 304.434 2.206 20 10 DECDMP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378371990 534196997 /nfs/dbraw/zinc/19/69/97/534196997.db2.gz QSYNPUCCARNXNK-LZLYRXPVSA-N 2 1 304.434 2.384 20 10 DECDMP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000375015058 534710819 /nfs/dbraw/zinc/71/08/19/534710819.db2.gz CAFBDXBHQLFGDZ-AEFFLSMTSA-N 2 1 317.477 2.158 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000841057649 650416858 /nfs/dbraw/zinc/41/68/58/650416858.db2.gz BUPKPDWWPBHULE-KBXCAEBGSA-N 2 1 303.450 2.252 20 10 DECDMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000841004126 640566037 /nfs/dbraw/zinc/56/60/37/640566037.db2.gz MOFSNAPFGONOJZ-FUHWJXTLSA-N 2 1 317.477 2.343 20 10 DECDMP COc1cc(O)c(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1OC ZINC000898308088 641096946 /nfs/dbraw/zinc/09/69/46/641096946.db2.gz NKDDLEKEQNSDAV-UHFFFAOYSA-N 2 1 310.438 2.429 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1OC ZINC000898308088 641096951 /nfs/dbraw/zinc/09/69/51/641096951.db2.gz NKDDLEKEQNSDAV-UHFFFAOYSA-N 2 1 310.438 2.429 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000775653256 642072806 /nfs/dbraw/zinc/07/28/06/642072806.db2.gz BJZXWZCHNCQRAN-HOTGVXAUSA-N 2 1 303.450 2.048 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)O)cc2)CC1 ZINC000779166291 642468483 /nfs/dbraw/zinc/46/84/83/642468483.db2.gz ZCMILAOUYLOGTH-SFHVURJKSA-N 2 1 317.477 2.174 20 10 DECDMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000793371790 644240857 /nfs/dbraw/zinc/24/08/57/644240857.db2.gz YXMYKYHDSLRAGA-UHFFFAOYSA-N 2 1 317.364 2.257 20 10 DECDMP CCc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827856956 649095396 /nfs/dbraw/zinc/09/53/96/649095396.db2.gz UQCWNMHOVSBPSQ-KRWDZBQOSA-N 2 1 306.450 2.497 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000850489667 651938540 /nfs/dbraw/zinc/93/85/40/651938540.db2.gz WKUNJOAKAKAUKM-DUZACMNTSA-N 2 1 315.461 2.489 20 10 DECDMP COc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)cc1C ZINC000853625272 652580433 /nfs/dbraw/zinc/58/04/33/652580433.db2.gz QWZCUHWHJZPPDO-MRXNPFEDSA-N 2 1 322.449 2.252 20 10 DECDMP COc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)cc1C ZINC000853625272 652580436 /nfs/dbraw/zinc/58/04/36/652580436.db2.gz QWZCUHWHJZPPDO-MRXNPFEDSA-N 2 1 322.449 2.252 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000863484007 686508983 /nfs/dbraw/zinc/50/89/83/686508983.db2.gz GIXHWPWLDGGLMA-ZBFHGGJFSA-N 2 1 303.450 2.394 20 10 DECDMP COCC[N@H+](Cc1cccc(C)c1O)CC1CC[NH+](C)CC1 ZINC000877664020 690182669 /nfs/dbraw/zinc/18/26/69/690182669.db2.gz FKKAJEQOUJZNRJ-UHFFFAOYSA-N 2 1 306.450 2.491 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000925702192 693326969 /nfs/dbraw/zinc/32/69/69/693326969.db2.gz AKGQNYXXQQBQOS-HDMKZQKVSA-N 2 1 303.450 2.252 20 10 DECDMP CC(C)[N@@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409952 788281834 /nfs/dbraw/zinc/28/18/34/788281834.db2.gz WXXOSIDDSWAWTO-UHFFFAOYSA-N 2 1 305.466 2.031 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253556 796349934 /nfs/dbraw/zinc/34/99/34/796349934.db2.gz YACKXLOVKGAOME-SFHVURJKSA-N 2 1 322.449 2.199 20 10 DECDMP COC[C@H]1CCCC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139254313 796350529 /nfs/dbraw/zinc/35/05/29/796350529.db2.gz GGIJAXGJSLOKLT-MRXNPFEDSA-N 2 1 322.449 2.463 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(CO)C3)cc2)CC1 ZINC001140302388 796503646 /nfs/dbraw/zinc/50/36/46/796503646.db2.gz QNIRDMRKOGEZDI-IBGZPJMESA-N 2 1 317.477 2.033 20 10 DECDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001203657900 800100860 /nfs/dbraw/zinc/10/08/60/800100860.db2.gz IBUXZGMUHHKOQP-JKSUJKDBSA-N 2 1 323.868 2.256 20 10 DECDMP CCN1CCO[C@@H]2C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@H]2C1 ZINC001231845880 801734898 /nfs/dbraw/zinc/73/48/98/801734898.db2.gz SQOLOPZUAPBDRL-MAUKXSAKSA-N 2 1 304.434 2.162 20 10 DECDMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cc(C)cc3O)C[C@@H]2C1 ZINC001231845880 801734905 /nfs/dbraw/zinc/73/49/05/801734905.db2.gz SQOLOPZUAPBDRL-MAUKXSAKSA-N 2 1 304.434 2.162 20 10 DECDMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cc(C)cc3O)C[C@@H]2C1 ZINC001231845880 801734910 /nfs/dbraw/zinc/73/49/10/801734910.db2.gz SQOLOPZUAPBDRL-MAUKXSAKSA-N 2 1 304.434 2.162 20 10 DECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286094 802065243 /nfs/dbraw/zinc/06/52/43/802065243.db2.gz FCIAFXKUJJTWAB-UHFFFAOYSA-N 2 1 319.493 2.369 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222244012 802660027 /nfs/dbraw/zinc/66/00/27/802660027.db2.gz RVKFCSOTIFCUIX-IBGZPJMESA-N 2 1 315.461 2.241 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222244012 802660033 /nfs/dbraw/zinc/66/00/33/802660033.db2.gz RVKFCSOTIFCUIX-IBGZPJMESA-N 2 1 315.461 2.241 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCCCO)cc2F)CC1 ZINC001461393559 1058653709 /nfs/dbraw/zinc/65/37/09/1058653709.db2.gz UNNOHORIBBMZGZ-UHFFFAOYSA-N 2 1 323.456 2.220 20 10 DECDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116893 1066497449 /nfs/dbraw/zinc/49/74/49/1066497449.db2.gz BNCGLWWZNZBTES-WBVHZDCISA-N 2 1 317.477 2.207 20 10 DECDMP COc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(O)c1 ZINC001579144786 1067241709 /nfs/dbraw/zinc/24/17/09/1067241709.db2.gz QMXVPXIOHZZIOP-ZWNOBZJWSA-N 2 1 318.339 2.278 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@@H](C[NH3+])C(C)C)CC2)cc1 ZINC001579225665 1067263674 /nfs/dbraw/zinc/26/36/74/1067263674.db2.gz SGIXKQGRWASGKG-MRXNPFEDSA-N 2 1 305.466 2.438 20 10 DECDMP Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001656946940 1080142591 /nfs/dbraw/zinc/14/25/91/1080142591.db2.gz FLRVKIMEAQBXMA-HNNXBMFYSA-N 2 1 301.434 2.033 20 10 DECDMP CC[N@H+](CCNCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC001657056814 1080150842 /nfs/dbraw/zinc/15/08/42/1080150842.db2.gz KERSEYSXWSDKKG-UHFFFAOYSA-N 2 1 318.509 2.258 20 10 DECDMP CC[N@@H+](CCNCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC001657056814 1080150844 /nfs/dbraw/zinc/15/08/44/1080150844.db2.gz KERSEYSXWSDKKG-UHFFFAOYSA-N 2 1 318.509 2.258 20 10 DECDMP CC(C)(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c(O)c1 ZINC001234976382 1084254567 /nfs/dbraw/zinc/25/45/67/1084254567.db2.gz UVVXOJHBVHGURD-RHSMWYFYSA-N 2 1 304.434 2.110 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c(O)c1 ZINC001234976382 1084254577 /nfs/dbraw/zinc/25/45/77/1084254577.db2.gz UVVXOJHBVHGURD-RHSMWYFYSA-N 2 1 304.434 2.110 20 10 DECDMP c1c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938967 1084568841 /nfs/dbraw/zinc/56/88/41/1084568841.db2.gz NCEWVAWZASLMBD-MOPGFXCFSA-N 2 1 311.473 2.427 20 10 DECDMP Oc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702577806 1086444167 /nfs/dbraw/zinc/44/41/67/1086444167.db2.gz AYIHIWLZSPUMHE-LJQANCHMSA-N 2 1 312.413 2.119 20 10 DECDMP Oc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702577806 1086444172 /nfs/dbraw/zinc/44/41/72/1086444172.db2.gz AYIHIWLZSPUMHE-LJQANCHMSA-N 2 1 312.413 2.119 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCCO1 ZINC001236932589 1138460410 /nfs/dbraw/zinc/46/04/10/1138460410.db2.gz SEGVCNFESFMPKF-HNNXBMFYSA-N 2 1 321.440 2.188 20 10 DECDMP CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320975725 1141014962 /nfs/dbraw/zinc/01/49/62/1141014962.db2.gz RQTFWQJCUQEWEL-HZPDHXFCSA-N 2 1 321.440 2.235 20 10 DECDMP CCOc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246949833 1141172380 /nfs/dbraw/zinc/17/23/80/1141172380.db2.gz QSVSBLNDJROQAN-RDJZCZTQSA-N 2 1 303.450 2.348 20 10 DECDMP C[C@H](CCO)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324379341 1142066043 /nfs/dbraw/zinc/06/60/43/1142066043.db2.gz UGJBTBLGDYEPMT-HNNXBMFYSA-N 2 1 323.456 2.076 20 10 DECDMP C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324378170 1142066205 /nfs/dbraw/zinc/06/62/05/1142066205.db2.gz KMUTVWVMLODGGB-CQSZACIVSA-N 2 1 323.456 2.217 20 10 DECDMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001254499703 1143141794 /nfs/dbraw/zinc/14/17/94/1143141794.db2.gz NYDPKXAELPDFBQ-KRWDZBQOSA-N 2 1 303.450 2.097 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)C(C)(C)C)cc2F)CC1 ZINC001256043518 1143824188 /nfs/dbraw/zinc/82/41/88/1143824188.db2.gz YXIFPFYEGCKHSZ-QGZVFWFLSA-N 2 1 323.456 2.074 20 10 DECDMP C[N@H+](CCCCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001256212705 1143837315 /nfs/dbraw/zinc/83/73/15/1143837315.db2.gz XOBRPZJCVSVONW-UHFFFAOYSA-N 2 1 323.456 2.172 20 10 DECDMP C[N@@H+](CCCCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001256212705 1143837316 /nfs/dbraw/zinc/83/73/16/1143837316.db2.gz XOBRPZJCVSVONW-UHFFFAOYSA-N 2 1 323.456 2.172 20 10 DECDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC001261370511 1144239537 /nfs/dbraw/zinc/23/95/37/1144239537.db2.gz LMOUOEUDWFRXBG-SNVBAGLBSA-N 2 1 301.228 2.408 20 10 DECDMP COCC[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325383449 1147898319 /nfs/dbraw/zinc/89/83/19/1147898319.db2.gz QNBIFDXQJAMNCF-OAHLLOKOSA-N 2 1 323.456 2.340 20 10 DECDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303907 130104971 /nfs/dbraw/zinc/10/49/71/130104971.db2.gz CGPJAMAWEINYSQ-CHWSQXEVSA-N 2 1 306.406 2.171 20 10 DECDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217264 523993827 /nfs/dbraw/zinc/99/38/27/523993827.db2.gz DZWPCUPPHUKOMR-OCCSQVGLSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217264 523993829 /nfs/dbraw/zinc/99/38/29/523993829.db2.gz DZWPCUPPHUKOMR-OCCSQVGLSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217264 523993831 /nfs/dbraw/zinc/99/38/31/523993831.db2.gz DZWPCUPPHUKOMR-OCCSQVGLSA-N 2 1 304.390 2.037 20 10 DECDMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(O)c1OC ZINC000891671348 624525238 /nfs/dbraw/zinc/52/52/38/624525238.db2.gz OMNKQYCPDWEYON-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(O)c1OC ZINC000891671348 624525239 /nfs/dbraw/zinc/52/52/39/624525239.db2.gz OMNKQYCPDWEYON-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000891671348 624525240 /nfs/dbraw/zinc/52/52/40/624525240.db2.gz OMNKQYCPDWEYON-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000841100928 650431234 /nfs/dbraw/zinc/43/12/34/650431234.db2.gz OVBZAPGDVKKADS-GOSISDBHSA-N 2 1 303.450 2.227 20 10 DECDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788759 640459572 /nfs/dbraw/zinc/45/95/72/640459572.db2.gz QOCDXNQFCKESBM-FZKQIMNGSA-N 2 1 300.402 2.263 20 10 DECDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788759 640459573 /nfs/dbraw/zinc/45/95/73/640459573.db2.gz QOCDXNQFCKESBM-FZKQIMNGSA-N 2 1 300.402 2.263 20 10 DECDMP CCO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775632981 642069595 /nfs/dbraw/zinc/06/95/95/642069595.db2.gz DMWRQSLEVPTQOD-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903733393 643447820 /nfs/dbraw/zinc/44/78/20/643447820.db2.gz MONPXKXAOXFTPL-MRXNPFEDSA-N 2 1 303.450 2.207 20 10 DECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809750221 646276515 /nfs/dbraw/zinc/27/65/15/646276515.db2.gz RBBPCNPALNAOTO-UHFFFAOYSA-N 3 1 318.509 2.212 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000817981360 647399580 /nfs/dbraw/zinc/39/95/80/647399580.db2.gz RLIUWYHJUJQEDV-GXTWGEPZSA-N 2 1 306.406 2.362 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000819377320 647647137 /nfs/dbraw/zinc/64/71/37/647647137.db2.gz PKNGYTYUGOQBOG-HNAYVOBHSA-N 2 1 319.493 2.037 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819377320 647647139 /nfs/dbraw/zinc/64/71/39/647647139.db2.gz PKNGYTYUGOQBOG-HNAYVOBHSA-N 2 1 319.493 2.037 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844903088 651180918 /nfs/dbraw/zinc/18/09/18/651180918.db2.gz RMSMQLQYKFREBO-YQVWRLOYSA-N 2 1 317.477 2.471 20 10 DECDMP CCO[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844903931 651181558 /nfs/dbraw/zinc/18/15/58/651181558.db2.gz SFAGUCCCJDDZSY-GOVFWEMJSA-N 2 1 303.450 2.061 20 10 DECDMP COc1cccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000846167894 651312441 /nfs/dbraw/zinc/31/24/41/651312441.db2.gz NRGCKVQPUJHZOI-CQSZACIVSA-N 2 1 321.465 2.077 20 10 DECDMP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325431 651649757 /nfs/dbraw/zinc/64/97/57/651649757.db2.gz ZNKFWTGMMAORLB-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325431 651649758 /nfs/dbraw/zinc/64/97/58/651649758.db2.gz ZNKFWTGMMAORLB-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325431 651649761 /nfs/dbraw/zinc/64/97/61/651649761.db2.gz ZNKFWTGMMAORLB-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000849325431 651649764 /nfs/dbraw/zinc/64/97/64/651649764.db2.gz ZNKFWTGMMAORLB-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP CCC1([NH+](C)C)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000872671962 689062026 /nfs/dbraw/zinc/06/20/26/689062026.db2.gz ZKTLZKVYEYFPLT-MRXNPFEDSA-N 2 1 320.433 2.124 20 10 DECDMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1Cn1cccn1 ZINC000873030050 689144162 /nfs/dbraw/zinc/14/41/62/689144162.db2.gz ZVROCCOBASZFOQ-OAHLLOKOSA-N 2 1 316.449 2.370 20 10 DECDMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886504237 692095866 /nfs/dbraw/zinc/09/58/66/692095866.db2.gz XQMFAXGVQITEDZ-UONOGXRCSA-N 2 1 309.429 2.208 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1OC ZINC001206573541 788183851 /nfs/dbraw/zinc/18/38/51/788183851.db2.gz MZVDNZVMJOCGRK-QGZVFWFLSA-N 2 1 308.422 2.360 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1F ZINC001204087796 800171324 /nfs/dbraw/zinc/17/13/24/800171324.db2.gz CHUNSIGZHXGXON-GHJWDPDVSA-N 2 1 309.404 2.461 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1F ZINC001204087796 800171328 /nfs/dbraw/zinc/17/13/28/800171328.db2.gz CHUNSIGZHXGXON-GHJWDPDVSA-N 2 1 309.404 2.461 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205248090 800329921 /nfs/dbraw/zinc/32/99/21/800329921.db2.gz MKECVRVDLVVLNH-SFHVURJKSA-N 2 1 306.450 2.365 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205683345 800400873 /nfs/dbraw/zinc/40/08/73/800400873.db2.gz YSGAVJIQMNELKO-GOSISDBHSA-N 2 1 306.450 2.365 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001205239486 1084095571 /nfs/dbraw/zinc/09/55/71/1084095571.db2.gz CGKVACAWCARDLN-CQSZACIVSA-N 2 1 318.339 2.087 20 10 DECDMP CC[NH+]1CCN(c2ccc(OC3C[NH+](C(C)C)C3)cc2)CC1 ZINC001234658253 1084190359 /nfs/dbraw/zinc/19/03/59/1084190359.db2.gz YRULTXSCEVTOKB-UHFFFAOYSA-N 2 1 303.450 2.300 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)c(F)c2)CC1 ZINC001236941538 1138461907 /nfs/dbraw/zinc/46/19/07/1138461907.db2.gz CLOBKPKUAYLWRS-OSYLJGHBSA-N 2 1 321.415 2.225 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(C)CCOC3)cc2F)CC1 ZINC001318471431 1140343195 /nfs/dbraw/zinc/34/31/95/1140343195.db2.gz OMMWCDJWAZLGHV-SFHVURJKSA-N 2 1 321.440 2.094 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCCO3)cc2F)CC1 ZINC001320082434 1140819913 /nfs/dbraw/zinc/81/99/13/1140819913.db2.gz ZNIUSCMJQWDFPV-GOSISDBHSA-N 2 1 321.440 2.236 20 10 DECDMP COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC000387344506 1144511250 /nfs/dbraw/zinc/51/12/50/1144511250.db2.gz VQUPPPSSNUAEKC-YPMHNXCESA-N 2 1 310.825 2.438 20 10 DECDMP COc1cc(Cl)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1O ZINC000387344506 1144511257 /nfs/dbraw/zinc/51/12/57/1144511257.db2.gz VQUPPPSSNUAEKC-YPMHNXCESA-N 2 1 310.825 2.438 20 10 DECDMP COc1cc(Cl)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1O ZINC000387344506 1144511264 /nfs/dbraw/zinc/51/12/64/1144511264.db2.gz VQUPPPSSNUAEKC-YPMHNXCESA-N 2 1 310.825 2.438 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371466930 529780363 /nfs/dbraw/zinc/78/03/63/529780363.db2.gz UFLAFJBWXRICJS-CEXWTWQISA-N 2 1 317.477 2.436 20 10 DECDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000289484273 131389675 /nfs/dbraw/zinc/38/96/75/131389675.db2.gz QXNORPHNCUUNAX-UHFFFAOYSA-N 2 1 306.406 2.429 20 10 DECDMP CN(C)c1ccc(/C=C\CN(CCO)C2CC[NH+](C)CC2)cc1 ZINC000835024447 649867460 /nfs/dbraw/zinc/86/74/60/649867460.db2.gz APJPCMKCUPJOEH-PLNGDYQASA-N 2 1 317.477 2.154 20 10 DECDMP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1O ZINC000184983140 525401384 /nfs/dbraw/zinc/40/13/84/525401384.db2.gz SWNOIDPQQJXQLO-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCO2 ZINC000131375529 526336940 /nfs/dbraw/zinc/33/69/40/526336940.db2.gz WQLPPMYYMKLGHY-CYBMUJFWSA-N 2 1 304.390 2.039 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCO2 ZINC000131375529 526336943 /nfs/dbraw/zinc/33/69/43/526336943.db2.gz WQLPPMYYMKLGHY-CYBMUJFWSA-N 2 1 304.390 2.039 20 10 DECDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c1OC ZINC000894497105 637069047 /nfs/dbraw/zinc/06/90/47/637069047.db2.gz UHQUYQFFXNXYAZ-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c1OC ZINC000894497105 637069052 /nfs/dbraw/zinc/06/90/52/637069052.db2.gz UHQUYQFFXNXYAZ-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(O)c1OC ZINC000894497105 637069055 /nfs/dbraw/zinc/06/90/55/637069055.db2.gz UHQUYQFFXNXYAZ-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c1OC ZINC000894497105 637069058 /nfs/dbraw/zinc/06/90/58/637069058.db2.gz UHQUYQFFXNXYAZ-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1CC[NH+](C)CC1 ZINC000895012098 637374326 /nfs/dbraw/zinc/37/43/26/637374326.db2.gz GBROCOKULRSOGY-UHFFFAOYSA-N 2 1 320.433 2.099 20 10 DECDMP CCOC(=O)C[N@H+](Cc1ccccc1O)CC1CC[NH+](C)CC1 ZINC000895012098 637374329 /nfs/dbraw/zinc/37/43/29/637374329.db2.gz GBROCOKULRSOGY-UHFFFAOYSA-N 2 1 320.433 2.099 20 10 DECDMP CCC([NH3+])(CC)CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841031441 650409434 /nfs/dbraw/zinc/40/94/34/650409434.db2.gz UDFWNVOFYLRLOP-UHFFFAOYSA-N 2 1 304.482 2.046 20 10 DECDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000729632042 640819436 /nfs/dbraw/zinc/81/94/36/640819436.db2.gz AJSDKYRTRHRFMK-UHFFFAOYSA-N 2 1 317.477 2.441 20 10 DECDMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642557 642071673 /nfs/dbraw/zinc/07/16/73/642071673.db2.gz LUPYPPUAZYGTGT-WMZOPIPTSA-N 2 1 317.477 2.438 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(O)CCCC1 ZINC000775708024 642082665 /nfs/dbraw/zinc/08/26/65/642082665.db2.gz LBVGWKBFEJOECD-UHFFFAOYSA-N 2 1 317.477 2.175 20 10 DECDMP CCC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775709603 642082732 /nfs/dbraw/zinc/08/27/32/642082732.db2.gz VHCOEDHFXLYMQI-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC[C@H]1O ZINC000775735931 642087640 /nfs/dbraw/zinc/08/76/40/642087640.db2.gz GKFHMGSCSJTXKZ-PKOBYXMFSA-N 2 1 317.477 2.031 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)cc1 ZINC000902472470 643041196 /nfs/dbraw/zinc/04/11/96/643041196.db2.gz AKWFXMCUVUHQQI-FHLIZLRMSA-N 2 1 301.434 2.147 20 10 DECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903732405 643442871 /nfs/dbraw/zinc/44/28/71/643442871.db2.gz DPNFPTDSMUZJPH-GOSISDBHSA-N 2 1 317.477 2.345 20 10 DECDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843052708 650878431 /nfs/dbraw/zinc/87/84/31/650878431.db2.gz RRKKZGMAGZFEPE-NVXWUHKLSA-N 2 1 321.440 2.222 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1[NH3+] ZINC000843052708 650878434 /nfs/dbraw/zinc/87/84/34/650878434.db2.gz RRKKZGMAGZFEPE-NVXWUHKLSA-N 2 1 321.440 2.222 20 10 DECDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000843056382 650879484 /nfs/dbraw/zinc/87/94/84/650879484.db2.gz IOVRKFPDGZEPHF-GOSISDBHSA-N 2 1 305.466 2.328 20 10 DECDMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000843109041 650896144 /nfs/dbraw/zinc/89/61/44/650896144.db2.gz WMCJGLYJNLHFNO-UHFFFAOYSA-N 2 1 314.385 2.472 20 10 DECDMP C[C@@]1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000843114862 650898435 /nfs/dbraw/zinc/89/84/35/650898435.db2.gz IOGMYOAMEVMOJH-FUHWJXTLSA-N 2 1 304.434 2.373 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123663 650900516 /nfs/dbraw/zinc/90/05/16/650900516.db2.gz MSUMJCDKSMAIMO-IBGZPJMESA-N 2 1 315.461 2.099 20 10 DECDMP CN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000843125632 650900887 /nfs/dbraw/zinc/90/08/87/650900887.db2.gz ZKGGOJADBLWMHV-HNNXBMFYSA-N 2 1 321.440 2.079 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCO2 ZINC000841086261 644997872 /nfs/dbraw/zinc/99/78/72/644997872.db2.gz GSQASHFSARADGO-OCCSQVGLSA-N 2 1 304.390 2.085 20 10 DECDMP CCOc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843432555 650974730 /nfs/dbraw/zinc/97/47/30/650974730.db2.gz YLBRCRNXVNSWCS-UHFFFAOYSA-N 2 1 320.433 2.088 20 10 DECDMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)c(F)cc1O ZINC000816610437 647157889 /nfs/dbraw/zinc/15/78/89/647157889.db2.gz KIJTYOQKEOYWIA-UHFFFAOYSA-N 2 1 317.836 2.110 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000817946884 647390408 /nfs/dbraw/zinc/39/04/08/647390408.db2.gz HECILNILXWAZHR-MBNYWOFBSA-N 2 1 306.406 2.218 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000844901929 651180643 /nfs/dbraw/zinc/18/06/43/651180643.db2.gz JIPLGALPZOCFFF-XGWLTEMNSA-N 2 1 308.397 2.250 20 10 DECDMP CCO[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000844905420 651181341 /nfs/dbraw/zinc/18/13/41/651181341.db2.gz KDAXHOFYMUNMSC-IEBWSBKVSA-N 2 1 317.477 2.473 20 10 DECDMP CCN(CC)c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000848558481 651470730 /nfs/dbraw/zinc/47/07/30/651470730.db2.gz RNHOEAJNGDWDMA-UHFFFAOYSA-N 2 1 319.493 2.469 20 10 DECDMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850488430 651937956 /nfs/dbraw/zinc/93/79/56/651937956.db2.gz MRSZFKSYQDUITP-INIZCTEOSA-N 2 1 303.450 2.348 20 10 DECDMP Cc1cc(Br)cc(C[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000853245992 652528469 /nfs/dbraw/zinc/52/84/69/652528469.db2.gz FTUXYIZAACWKAG-UHFFFAOYSA-N 2 1 311.223 2.305 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393565695 685452541 /nfs/dbraw/zinc/45/25/41/685452541.db2.gz ZTBNVFDMBREOLD-HKUYNNGSSA-N 2 1 315.461 2.240 20 10 DECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000863481861 686508165 /nfs/dbraw/zinc/50/81/65/686508165.db2.gz MWDXHOAONAKKHY-ZWKOTPCHSA-N 2 1 303.450 2.394 20 10 DECDMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000876780761 689935954 /nfs/dbraw/zinc/93/59/54/689935954.db2.gz ATLMGZKROMLPIY-WMZOPIPTSA-N 2 1 317.477 2.158 20 10 DECDMP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1c(O)cccc1F ZINC000886526353 692101797 /nfs/dbraw/zinc/10/17/97/692101797.db2.gz KWJBEPPWICBFST-UONOGXRCSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1c(O)cccc1F ZINC000886526353 692101800 /nfs/dbraw/zinc/10/18/00/692101800.db2.gz KWJBEPPWICBFST-UONOGXRCSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(O)cccc1F ZINC000886526207 692102145 /nfs/dbraw/zinc/10/21/45/692102145.db2.gz HMRIUWVNBTXBBL-KBPBESRZSA-N 2 1 321.440 2.350 20 10 DECDMP COc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139256186 796349720 /nfs/dbraw/zinc/34/97/20/796349720.db2.gz WDRGFBBRHJOPCD-SFHVURJKSA-N 2 1 320.433 2.075 20 10 DECDMP COc1cc(C[N@@H+](C)C[C@H]2CCCCO2)cc(C[NH+](C)C)c1O ZINC001139257172 796350380 /nfs/dbraw/zinc/35/03/80/796350380.db2.gz UGJPHYMRNPXPMP-MRXNPFEDSA-N 2 1 322.449 2.463 20 10 DECDMP CCO[C@@H]1CC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139258906 796350389 /nfs/dbraw/zinc/35/03/89/796350389.db2.gz AGJFWFQDSNTCTO-OAHLLOKOSA-N 2 1 308.422 2.073 20 10 DECDMP COc1cc(C[N@H+]2CCCO[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253545 796350461 /nfs/dbraw/zinc/35/04/61/796350461.db2.gz XSLVYJSVYDRYJR-CYBMUJFWSA-N 2 1 308.422 2.073 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](C)(O)C3)cc2)CC1 ZINC001139408431 796372416 /nfs/dbraw/zinc/37/24/16/796372416.db2.gz LYQYIVQREJHVMN-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP CN1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140662374 796552664 /nfs/dbraw/zinc/55/26/64/796552664.db2.gz RBMPJELNMCGLRS-UHFFFAOYSA-N 2 1 321.440 2.188 20 10 DECDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c(O)cc(OC)cc3OC)C[C@H]2C1 ZINC001141030934 796621384 /nfs/dbraw/zinc/62/13/84/796621384.db2.gz RFHZNWBQWKBRSB-ZIAGYGMSSA-N 2 1 320.433 2.183 20 10 DECDMP CN1CCOc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)ccc21 ZINC001141143436 796638697 /nfs/dbraw/zinc/63/86/97/796638697.db2.gz YVTJQLRWBAYRLC-UHFFFAOYSA-N 2 1 303.450 2.289 20 10 DECDMP CC(C)[C@@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001200580692 798652970 /nfs/dbraw/zinc/65/29/70/798652970.db2.gz KBFQPCPXYOTWGM-SFHVURJKSA-N 2 1 323.456 2.074 20 10 DECDMP C[NH+](C)CCCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664163 800101909 /nfs/dbraw/zinc/10/19/09/800101909.db2.gz PIWMEGAGJBSTKT-UHFFFAOYSA-N 2 1 311.857 2.115 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC001204087792 800171759 /nfs/dbraw/zinc/17/17/59/800171759.db2.gz CHUNSIGZHXGXON-DETPVDSQSA-N 2 1 309.404 2.461 20 10 DECDMP CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1F ZINC001204087792 800171762 /nfs/dbraw/zinc/17/17/62/800171762.db2.gz CHUNSIGZHXGXON-DETPVDSQSA-N 2 1 309.404 2.461 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205210500 800316924 /nfs/dbraw/zinc/31/69/24/800316924.db2.gz OSNRJBYFIOQWDU-GOSISDBHSA-N 2 1 305.466 2.209 20 10 DECDMP CN(CCC[N@@H+](C)Cc1ccc(Cl)cc1O)CC[NH+](C)C ZINC001560871048 1075147676 /nfs/dbraw/zinc/14/76/76/1075147676.db2.gz XDUHXDPQAJXDOS-UHFFFAOYSA-N 2 1 313.873 2.361 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001235051267 1084287703 /nfs/dbraw/zinc/28/77/03/1084287703.db2.gz HQFICQGEZJAODQ-HXUWFJFHSA-N 2 1 324.472 2.043 20 10 DECDMP Cc1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235053545 1084288924 /nfs/dbraw/zinc/28/89/24/1084288924.db2.gz UNDMEMWOHQHUAS-HXUWFJFHSA-N 2 1 324.472 2.231 20 10 DECDMP Cc1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235053545 1084288935 /nfs/dbraw/zinc/28/89/35/1084288935.db2.gz UNDMEMWOHQHUAS-HXUWFJFHSA-N 2 1 324.472 2.231 20 10 DECDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235054365 1084291604 /nfs/dbraw/zinc/29/16/04/1084291604.db2.gz WURRSKINRFSIJK-FQEVSTJZSA-N 2 1 324.472 2.231 20 10 DECDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235054365 1084291616 /nfs/dbraw/zinc/29/16/16/1084291616.db2.gz WURRSKINRFSIJK-FQEVSTJZSA-N 2 1 324.472 2.231 20 10 DECDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)[C@@H]2C1 ZINC001275272232 1091644966 /nfs/dbraw/zinc/64/49/66/1091644966.db2.gz ROQWKOBGSHZBKQ-XJKSGUPXSA-N 2 1 323.868 2.113 20 10 DECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cccc1O ZINC001237489556 1138655679 /nfs/dbraw/zinc/65/56/79/1138655679.db2.gz IRBJDLBJUGFCCN-UHFFFAOYSA-N 2 1 308.422 2.017 20 10 DECDMP COc1cc(C)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(O)c1 ZINC001308799179 1147486708 /nfs/dbraw/zinc/48/67/08/1147486708.db2.gz AINARPKAKLPWEF-UHFFFAOYSA-N 2 1 323.481 2.025 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000273551181 130135307 /nfs/dbraw/zinc/13/53/07/130135307.db2.gz FZEOJMIEUUMBNJ-SGMGOOAPSA-N 2 1 318.417 2.455 20 10 DECDMP COc1ccc(O)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282192078 403130954 /nfs/dbraw/zinc/13/09/54/403130954.db2.gz GIPJBACUUHOJGV-AWEZNQCLSA-N 2 1 321.465 2.077 20 10 DECDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296017646 404052636 /nfs/dbraw/zinc/05/26/36/404052636.db2.gz PFHOKLHRILEILE-QGZVFWFLSA-N 2 1 317.477 2.387 20 10 DECDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cccc(O)c32)CCCO1 ZINC000296618185 404311506 /nfs/dbraw/zinc/31/15/06/404311506.db2.gz YYXYNCJQLYLCGY-ZBFHGGJFSA-N 2 1 304.434 2.470 20 10 DECDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000162816768 527410460 /nfs/dbraw/zinc/41/04/60/527410460.db2.gz KZQKGDIFSOYBIE-UHFFFAOYSA-N 2 1 303.362 2.148 20 10 DECDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000162816768 527410465 /nfs/dbraw/zinc/41/04/65/527410465.db2.gz KZQKGDIFSOYBIE-UHFFFAOYSA-N 2 1 303.362 2.148 20 10 DECDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1OC ZINC000892608265 625190229 /nfs/dbraw/zinc/19/02/29/625190229.db2.gz OZKUGWJNYQDELO-KBPBESRZSA-N 2 1 306.406 2.126 20 10 DECDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921720578 634807966 /nfs/dbraw/zinc/80/79/66/634807966.db2.gz BMYRAHBORPZXAU-SFHVURJKSA-N 2 1 318.461 2.338 20 10 DECDMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(O)c1OC ZINC000893855098 636047889 /nfs/dbraw/zinc/04/78/89/636047889.db2.gz CKXNQRFCZPMHKX-UHFFFAOYSA-N 2 1 320.433 2.470 20 10 DECDMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(O)c1OC ZINC000894230140 636509591 /nfs/dbraw/zinc/50/95/91/636509591.db2.gz AVDPAPXTQOOSKY-UHFFFAOYSA-N 2 1 308.422 2.327 20 10 DECDMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(O)c1OC ZINC000894230140 636509596 /nfs/dbraw/zinc/50/95/96/636509596.db2.gz AVDPAPXTQOOSKY-UHFFFAOYSA-N 2 1 308.422 2.327 20 10 DECDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769517104 641255287 /nfs/dbraw/zinc/25/52/87/641255287.db2.gz YPLUPQGHWKTRQV-OAHLLOKOSA-N 2 1 322.449 2.334 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC34CCOCC4)cc2)CC1 ZINC000775160070 642012203 /nfs/dbraw/zinc/01/22/03/642012203.db2.gz UNZBABQYWKIROR-UHFFFAOYSA-N 2 1 315.461 2.193 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)O)cc2)CC1 ZINC000779166290 642468530 /nfs/dbraw/zinc/46/85/30/642468530.db2.gz ZCMILAOUYLOGTH-GOSISDBHSA-N 2 1 317.477 2.174 20 10 DECDMP Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421157 643669324 /nfs/dbraw/zinc/66/93/24/643669324.db2.gz QLUMTHPGOJXNAE-CMPLNLGQSA-N 2 1 311.223 2.196 20 10 DECDMP Oc1ccc(Br)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421157 643669326 /nfs/dbraw/zinc/66/93/26/643669326.db2.gz QLUMTHPGOJXNAE-CMPLNLGQSA-N 2 1 311.223 2.196 20 10 DECDMP CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CC[NH2+]CC1 ZINC000843044053 650875695 /nfs/dbraw/zinc/87/56/95/650875695.db2.gz BORFYFMEEWNSTN-UHFFFAOYSA-N 2 1 308.422 2.373 20 10 DECDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000843051762 650877993 /nfs/dbraw/zinc/87/79/93/650877993.db2.gz DHZUFJLXAZIILV-UHFFFAOYSA-N 2 1 316.493 2.014 20 10 DECDMP Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000843116720 650898881 /nfs/dbraw/zinc/89/88/81/650898881.db2.gz UDBPIQDZWROJDV-NVXWUHKLSA-N 2 1 304.434 2.373 20 10 DECDMP COc1cc(Br)cc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000843125035 650900953 /nfs/dbraw/zinc/90/09/53/650900953.db2.gz LSNNWNJINYKNQD-UHFFFAOYSA-N 2 1 315.211 2.085 20 10 DECDMP COCC(C)(C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814178240 646857765 /nfs/dbraw/zinc/85/77/65/646857765.db2.gz INUCKFSRKJWGBD-UHFFFAOYSA-N 2 1 305.466 2.295 20 10 DECDMP COc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1O ZINC000846146413 651311025 /nfs/dbraw/zinc/31/10/25/651311025.db2.gz QODHKOLSWAVGRK-GJZGRUSLSA-N 2 1 322.449 2.288 20 10 DECDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000858106399 652256345 /nfs/dbraw/zinc/25/63/45/652256345.db2.gz IJMSRISZEGYCKC-QGZVFWFLSA-N 2 1 317.477 2.486 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000854216663 652658992 /nfs/dbraw/zinc/65/89/92/652658992.db2.gz CBGAIEUOTDONHH-KBPBESRZSA-N 2 1 312.417 2.432 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217683 652659588 /nfs/dbraw/zinc/65/95/88/652659588.db2.gz OPLGFWJTGFLPQW-VKJFTORMSA-N 2 1 303.450 2.394 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873269052 689198845 /nfs/dbraw/zinc/19/88/45/689198845.db2.gz KKCBLBPZSRUWEQ-NEPJUHHUSA-N 2 1 306.406 2.218 20 10 DECDMP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1c(O)cccc1F ZINC000886501240 692094725 /nfs/dbraw/zinc/09/47/25/692094725.db2.gz BVONYSZFKXOYDD-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC001184387289 796052246 /nfs/dbraw/zinc/05/22/46/796052246.db2.gz IJVJVGFOGZQIEP-ZLKJLUDKSA-N 2 1 310.825 2.484 20 10 DECDMP COc1cc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139254124 796350470 /nfs/dbraw/zinc/35/04/70/796350470.db2.gz FBEXSQVPRWRNII-ACJLOTCBSA-N 2 1 322.449 2.055 20 10 DECDMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257205 796350605 /nfs/dbraw/zinc/35/06/05/796350605.db2.gz UONURVQQLFJBGS-MRXNPFEDSA-N 2 1 322.449 2.463 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC001139408805 796371876 /nfs/dbraw/zinc/37/18/76/796371876.db2.gz RJEDOBMPDVKWMJ-INIZCTEOSA-N 2 1 315.461 2.239 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001139413539 796373852 /nfs/dbraw/zinc/37/38/52/796373852.db2.gz VYEXGHIHTQQAKH-IEBWSBKVSA-N 2 1 315.461 2.049 20 10 DECDMP CC[N@@H+](CCOC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140300079 796503191 /nfs/dbraw/zinc/50/31/91/796503191.db2.gz LPMWUNMFIPSMGJ-UHFFFAOYSA-N 2 1 305.466 2.297 20 10 DECDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)cc1O ZINC001140465164 796526311 /nfs/dbraw/zinc/52/63/11/796526311.db2.gz JWFCUWGXBNJPQR-JKSUJKDBSA-N 2 1 323.868 2.256 20 10 DECDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205274066 800335798 /nfs/dbraw/zinc/33/57/98/800335798.db2.gz SRYSBHTUJYVZJF-GOSISDBHSA-N 2 1 321.440 2.366 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(OC)c1 ZINC001205626530 800389250 /nfs/dbraw/zinc/38/92/50/800389250.db2.gz GYWOVZRUHGMUOO-QWHCGFSZSA-N 2 1 308.422 2.216 20 10 DECDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c1 ZINC001206336735 800511528 /nfs/dbraw/zinc/51/15/28/800511528.db2.gz OFXFJHAWTZEPHE-GOSISDBHSA-N 2 1 320.433 2.059 20 10 DECDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206548803 800552785 /nfs/dbraw/zinc/55/27/85/800552785.db2.gz JFZHDKUSNKVMIT-LJQANCHMSA-N 2 1 317.477 2.474 20 10 DECDMP CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CC[NH2+]CC1 ZINC001577527382 1066868696 /nfs/dbraw/zinc/86/86/96/1066868696.db2.gz UNMIMDIMJNBQFF-UHFFFAOYSA-N 2 1 308.422 2.373 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276790874 1083613337 /nfs/dbraw/zinc/61/33/37/1083613337.db2.gz VWRTWBUYFRJPBF-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276790874 1083613340 /nfs/dbraw/zinc/61/33/40/1083613340.db2.gz VWRTWBUYFRJPBF-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276790874 1083613345 /nfs/dbraw/zinc/61/33/45/1083613345.db2.gz VWRTWBUYFRJPBF-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001276790874 1083613349 /nfs/dbraw/zinc/61/33/49/1083613349.db2.gz VWRTWBUYFRJPBF-SFHVURJKSA-N 2 1 320.433 2.327 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237390520 1138602306 /nfs/dbraw/zinc/60/23/06/1138602306.db2.gz IXCRLEMILJXEPW-IEBWSBKVSA-N 2 1 315.461 2.097 20 10 DECDMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)cc(Cl)c1O ZINC001237811665 1138799575 /nfs/dbraw/zinc/79/95/75/1138799575.db2.gz BQNWMXUOLIGBDE-UHFFFAOYSA-N 2 1 317.836 2.110 20 10 DECDMP COC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258359648 1143995848 /nfs/dbraw/zinc/99/58/48/1143995848.db2.gz VJXYJBOTBHOMPJ-AWEZNQCLSA-N 2 1 320.433 2.288 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)O1 ZINC001324849339 1147852879 /nfs/dbraw/zinc/85/28/79/1147852879.db2.gz RIHMMEMLEZNNDF-ZBFHGGJFSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1O ZINC000185415087 402351334 /nfs/dbraw/zinc/35/13/34/402351334.db2.gz ICLOUKXZQBXZCZ-UKRRQHHQSA-N 2 1 310.413 2.419 20 10 DECDMP Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178955284 402558916 /nfs/dbraw/zinc/55/89/16/402558916.db2.gz AHYFLXPFFDKWTP-KRWDZBQOSA-N 2 1 304.434 2.373 20 10 DECDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCO3)CCCO1 ZINC000278068615 402852391 /nfs/dbraw/zinc/85/23/91/402852391.db2.gz ZFXIPRXQYDWOIE-HNNXBMFYSA-N 2 1 304.434 2.212 20 10 DECDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCO3)CCCO1 ZINC000278068618 402852951 /nfs/dbraw/zinc/85/29/51/402852951.db2.gz ZFXIPRXQYDWOIE-OAHLLOKOSA-N 2 1 304.434 2.212 20 10 DECDMP COc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033556 650410005 /nfs/dbraw/zinc/41/00/05/650410005.db2.gz VHSFYDDLWZWQIT-INIZCTEOSA-N 2 1 303.450 2.396 20 10 DECDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788763 640459657 /nfs/dbraw/zinc/45/96/57/640459657.db2.gz QOCDXNQFCKESBM-SCLBCKFNSA-N 2 1 300.402 2.263 20 10 DECDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000762788763 640459659 /nfs/dbraw/zinc/45/96/59/640459659.db2.gz QOCDXNQFCKESBM-SCLBCKFNSA-N 2 1 300.402 2.263 20 10 DECDMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642550 642071974 /nfs/dbraw/zinc/07/19/74/642071974.db2.gz LUPYPPUAZYGTGT-FUHWJXTLSA-N 2 1 317.477 2.438 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@H]3C[NH2+]CC3(C)C)CC2)cc1 ZINC000902448687 643044599 /nfs/dbraw/zinc/04/45/99/643044599.db2.gz GZEZIZHKXPMRSK-KRWDZBQOSA-N 2 1 303.450 2.252 20 10 DECDMP CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809767807 646280621 /nfs/dbraw/zinc/28/06/21/646280621.db2.gz UPLAGCAACDHWSK-LJQANCHMSA-N 2 1 319.493 2.277 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000817964419 647394981 /nfs/dbraw/zinc/39/49/81/647394981.db2.gz BZSXFOSCHROVPJ-LBPRGKRZSA-N 2 1 306.406 2.219 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000817987585 647401676 /nfs/dbraw/zinc/40/16/76/647401676.db2.gz UMSAYHVSBPIQHG-SPWCGHHHSA-N 2 1 318.417 2.218 20 10 DECDMP Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)OCO2 ZINC000853093541 652500243 /nfs/dbraw/zinc/50/02/43/652500243.db2.gz MPFZYVUPYCCZEN-AWEZNQCLSA-N 2 1 318.417 2.333 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000854216665 652659076 /nfs/dbraw/zinc/65/90/76/652659076.db2.gz CBGAIEUOTDONHH-UONOGXRCSA-N 2 1 312.417 2.432 20 10 DECDMP Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000873215815 689185999 /nfs/dbraw/zinc/18/59/99/689185999.db2.gz HOWWHGMFXTXUHF-ZYHUDNBSSA-N 2 1 313.239 2.490 20 10 DECDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000873215815 689186003 /nfs/dbraw/zinc/18/60/03/689186003.db2.gz HOWWHGMFXTXUHF-ZYHUDNBSSA-N 2 1 313.239 2.490 20 10 DECDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876731116 689919177 /nfs/dbraw/zinc/91/91/77/689919177.db2.gz NMUMIDDFKPVXGC-QGZVFWFLSA-N 2 1 317.477 2.031 20 10 DECDMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000876780758 689935501 /nfs/dbraw/zinc/93/55/01/689935501.db2.gz ATLMGZKROMLPIY-AEFFLSMTSA-N 2 1 317.477 2.158 20 10 DECDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781140 689935572 /nfs/dbraw/zinc/93/55/72/689935572.db2.gz CXSLOFGEBCYZDJ-FUHWJXTLSA-N 2 1 317.477 2.158 20 10 DECDMP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169124268 785047412 /nfs/dbraw/zinc/04/74/12/785047412.db2.gz BGEWVARYFFTTSN-BCDXTJNWSA-N 2 1 315.461 2.442 20 10 DECDMP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169124268 785047418 /nfs/dbraw/zinc/04/74/18/785047418.db2.gz BGEWVARYFFTTSN-BCDXTJNWSA-N 2 1 315.461 2.442 20 10 DECDMP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117137715 795027784 /nfs/dbraw/zinc/02/77/84/795027784.db2.gz MPVMLAIDJBXFDS-BBRMVZONSA-N 2 1 323.481 2.419 20 10 DECDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204283106 795387996 /nfs/dbraw/zinc/38/79/96/795387996.db2.gz ZCKAWEUZFWJSKZ-OAHLLOKOSA-N 2 1 300.358 2.455 20 10 DECDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204283106 795388004 /nfs/dbraw/zinc/38/80/04/795388004.db2.gz ZCKAWEUZFWJSKZ-OAHLLOKOSA-N 2 1 300.358 2.455 20 10 DECDMP COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)cc(C[NH+](C)C)c1O ZINC001139257171 796350300 /nfs/dbraw/zinc/35/03/00/796350300.db2.gz UGJPHYMRNPXPMP-INIZCTEOSA-N 2 1 322.449 2.463 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205249380 800330246 /nfs/dbraw/zinc/33/02/46/800330246.db2.gz XQFPUQPBOOSVQP-CQSZACIVSA-N 2 1 319.232 2.375 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205249380 800330249 /nfs/dbraw/zinc/33/02/49/800330249.db2.gz XQFPUQPBOOSVQP-CQSZACIVSA-N 2 1 319.232 2.375 20 10 DECDMP Cc1c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c2ccccc2n1C ZINC001205673971 800399360 /nfs/dbraw/zinc/39/93/60/800399360.db2.gz WUXWLKCCECZVKT-SFHVURJKSA-N 2 1 301.434 2.162 20 10 DECDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816274 800425974 /nfs/dbraw/zinc/42/59/74/800425974.db2.gz KYEJIMAZAMMOGY-MAUKXSAKSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001205816274 800425976 /nfs/dbraw/zinc/42/59/76/800425976.db2.gz KYEJIMAZAMMOGY-MAUKXSAKSA-N 2 1 303.450 2.082 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1OC ZINC001206027254 800460693 /nfs/dbraw/zinc/46/06/93/800460693.db2.gz VJPINNZJGOVOAG-CHWSQXEVSA-N 2 1 308.422 2.216 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)ccc21 ZINC001206311315 800506035 /nfs/dbraw/zinc/50/60/35/800506035.db2.gz MNBGJUIAURGXNS-GOSISDBHSA-N 2 1 303.450 2.466 20 10 DECDMP CCN(C)c1ccc(C[NH+]2CCC([NH2+]CCOC)CC2)cc1 ZINC001577657739 1066899558 /nfs/dbraw/zinc/89/95/58/1066899558.db2.gz PYSNPMFDOUDDMP-UHFFFAOYSA-N 2 1 305.466 2.343 20 10 DECDMP COc1ccc(C[NH2+]C2(C[NH3+])CCCC2)cc1Cn1cccn1 ZINC001579216243 1067261490 /nfs/dbraw/zinc/26/14/90/1067261490.db2.gz JSUIDJJQJLEUAM-UHFFFAOYSA-N 2 1 314.433 2.301 20 10 DECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1O ZINC001235679447 1084496472 /nfs/dbraw/zinc/49/64/72/1084496472.db2.gz OQRUQEPQLCSEMB-UHFFFAOYSA-N 2 1 319.493 2.369 20 10 DECDMP Cc1cc(O)c(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001276372302 1085855414 /nfs/dbraw/zinc/85/54/14/1085855414.db2.gz OCNQXXSXILWDKN-UHFFFAOYSA-N 2 1 323.868 2.033 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(O)c1 ZINC001275584511 1091888013 /nfs/dbraw/zinc/88/80/13/1091888013.db2.gz CGXVIHFAXQSGRK-GASCZTMLSA-N 2 1 303.450 2.232 20 10 DECDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(O)c1 ZINC001275584511 1091888017 /nfs/dbraw/zinc/88/80/17/1091888017.db2.gz CGXVIHFAXQSGRK-GASCZTMLSA-N 2 1 303.450 2.232 20 10 DECDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(O)c1 ZINC001275584511 1091888023 /nfs/dbraw/zinc/88/80/23/1091888023.db2.gz CGXVIHFAXQSGRK-GASCZTMLSA-N 2 1 303.450 2.232 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc21 ZINC001237401483 1138610068 /nfs/dbraw/zinc/61/00/68/1138610068.db2.gz DBKPOESHBFZODI-CVEARBPZSA-N 2 1 301.434 2.089 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc21 ZINC001237401483 1138610081 /nfs/dbraw/zinc/61/00/81/1138610081.db2.gz DBKPOESHBFZODI-CVEARBPZSA-N 2 1 301.434 2.089 20 10 DECDMP CCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318970836 1140482064 /nfs/dbraw/zinc/48/20/64/1140482064.db2.gz JLMWRMBQXZCHTH-SFHVURJKSA-N 2 1 323.456 2.218 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCOC3)cc2F)CC1 ZINC001320916248 1140989155 /nfs/dbraw/zinc/98/91/55/1140989155.db2.gz CQEASRMADZAABY-MRXNPFEDSA-N 2 1 321.440 2.094 20 10 DECDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC(=O)OC)cc1O ZINC001249216997 1141859828 /nfs/dbraw/zinc/85/98/28/1141859828.db2.gz JVICEZWPKSBTGF-UHFFFAOYSA-N 2 1 322.449 2.271 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC001337791120 1142801941 /nfs/dbraw/zinc/80/19/41/1142801941.db2.gz JFNFRJGSYXIQSJ-VNHYZAJKSA-N 2 1 318.417 2.283 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@@H+](C)CC3)cc2)CC1 ZINC001254500782 1143146805 /nfs/dbraw/zinc/14/68/05/1143146805.db2.gz KTFJCMDDMDNZFY-GOSISDBHSA-N 3 1 316.493 2.012 20 10 DECDMP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326375213 1148087786 /nfs/dbraw/zinc/08/77/86/1148087786.db2.gz GJQXFHUEKNTWBG-YOEHRIQHSA-N 2 1 321.440 2.092 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371466931 529780451 /nfs/dbraw/zinc/78/04/51/529780451.db2.gz UFLAFJBWXRICJS-GBESFXJTSA-N 2 1 317.477 2.436 20 10 DECDMP COc1cc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000362239367 403937688 /nfs/dbraw/zinc/93/76/88/403937688.db2.gz RWYOFTOACBNJFM-ZIAGYGMSSA-N 2 1 306.406 2.126 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559454 404220288 /nfs/dbraw/zinc/22/02/88/404220288.db2.gz SGJRZQXVHYBHQO-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290559454 404220292 /nfs/dbraw/zinc/22/02/92/404220292.db2.gz SGJRZQXVHYBHQO-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290559454 404220296 /nfs/dbraw/zinc/22/02/96/404220296.db2.gz SGJRZQXVHYBHQO-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000290559454 404220300 /nfs/dbraw/zinc/22/03/00/404220300.db2.gz SGJRZQXVHYBHQO-GXTWGEPZSA-N 2 1 308.422 2.181 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370703906 404404661 /nfs/dbraw/zinc/40/46/61/404404661.db2.gz VHNWAAUEKXHFLR-AEFFLSMTSA-N 2 1 317.477 2.158 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000160453270 522774708 /nfs/dbraw/zinc/77/47/08/522774708.db2.gz LVONGKVPIYCIIE-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000160453270 522774717 /nfs/dbraw/zinc/77/47/17/522774717.db2.gz LVONGKVPIYCIIE-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000160453270 522774723 /nfs/dbraw/zinc/77/47/23/522774723.db2.gz LVONGKVPIYCIIE-UKRRQHHQSA-N 2 1 320.433 2.326 20 10 DECDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891560163 624478362 /nfs/dbraw/zinc/47/83/62/624478362.db2.gz CLLIHCGBCIXPNT-UHFFFAOYSA-N 2 1 308.422 2.326 20 10 DECDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891560163 624478364 /nfs/dbraw/zinc/47/83/64/624478364.db2.gz CLLIHCGBCIXPNT-UHFFFAOYSA-N 2 1 308.422 2.326 20 10 DECDMP COCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921596632 633743116 /nfs/dbraw/zinc/74/31/16/633743116.db2.gz YYHBBMJHMODNGU-UHFFFAOYSA-N 2 1 304.434 2.212 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923317809 637108402 /nfs/dbraw/zinc/10/84/02/637108402.db2.gz GYHOAQZUVARWCC-SFHVURJKSA-N 2 1 317.477 2.343 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000320040950 637527174 /nfs/dbraw/zinc/52/71/74/637527174.db2.gz KMGBZWVOBOPIKZ-RBUKOAKNSA-N 2 1 315.461 2.240 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000320040950 637527179 /nfs/dbraw/zinc/52/71/79/637527179.db2.gz KMGBZWVOBOPIKZ-RBUKOAKNSA-N 2 1 315.461 2.240 20 10 DECDMP COc1c(O)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000839182355 637812010 /nfs/dbraw/zinc/81/20/10/637812010.db2.gz MTEIICRRHMYGIQ-LBPRGKRZSA-N 2 1 323.393 2.131 20 10 DECDMP COc1c(O)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000839182355 637812017 /nfs/dbraw/zinc/81/20/17/637812017.db2.gz MTEIICRRHMYGIQ-LBPRGKRZSA-N 2 1 323.393 2.131 20 10 DECDMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119007 639461375 /nfs/dbraw/zinc/46/13/75/639461375.db2.gz IXZJXJIZROVLGE-YJBOKZPZSA-N 2 1 305.466 2.250 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000756414948 639660653 /nfs/dbraw/zinc/66/06/53/639660653.db2.gz ALOKRDMUQVIYHR-AEGPPILISA-N 2 1 318.417 2.456 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000756414948 639660654 /nfs/dbraw/zinc/66/06/54/639660654.db2.gz ALOKRDMUQVIYHR-AEGPPILISA-N 2 1 318.417 2.456 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000756414949 639660719 /nfs/dbraw/zinc/66/07/19/639660719.db2.gz ALOKRDMUQVIYHR-CFVMTHIKSA-N 2 1 318.417 2.456 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000756414949 639660721 /nfs/dbraw/zinc/66/07/21/639660721.db2.gz ALOKRDMUQVIYHR-CFVMTHIKSA-N 2 1 318.417 2.456 20 10 DECDMP C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000780893580 642685292 /nfs/dbraw/zinc/68/52/92/642685292.db2.gz YFPLSZPSLUBTLL-WMZOPIPTSA-N 2 1 317.477 2.031 20 10 DECDMP CO[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C ZINC000784668604 643162305 /nfs/dbraw/zinc/16/23/05/643162305.db2.gz RRGCFDNTWREPOW-LPHOPBHVSA-N 2 1 317.477 2.295 20 10 DECDMP COc1cc(O)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000843043648 650875100 /nfs/dbraw/zinc/87/51/00/650875100.db2.gz ANZDKTASIMSUGF-UHFFFAOYSA-N 2 1 306.406 2.126 20 10 DECDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843056017 650879497 /nfs/dbraw/zinc/87/94/97/650879497.db2.gz CEMLRNCZRSCJCN-LJQANCHMSA-N 3 1 318.509 2.244 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCO1 ZINC000798963802 645104488 /nfs/dbraw/zinc/10/44/88/645104488.db2.gz DNNUVPURGMMPFD-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827855391 649095285 /nfs/dbraw/zinc/09/52/85/649095285.db2.gz BPOIZJLIEBNTCU-QGZVFWFLSA-N 2 1 322.449 2.334 20 10 DECDMP CCOc1ccc(O)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827855391 649095287 /nfs/dbraw/zinc/09/52/87/649095287.db2.gz BPOIZJLIEBNTCU-QGZVFWFLSA-N 2 1 322.449 2.334 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000850347711 651906018 /nfs/dbraw/zinc/90/60/18/651906018.db2.gz WLXFQKGKMKVLAM-BQFCYCMXSA-N 2 1 315.461 2.490 20 10 DECDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000858245108 652287748 /nfs/dbraw/zinc/28/77/48/652287748.db2.gz NFJJOAMKYNBXBR-SFHVURJKSA-N 2 1 317.477 2.345 20 10 DECDMP CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218184 652659444 /nfs/dbraw/zinc/65/94/44/652659444.db2.gz TTYZWKSDIAHCJK-QGTPRVQTSA-N 2 1 303.450 2.394 20 10 DECDMP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214427 689185171 /nfs/dbraw/zinc/18/51/71/689185171.db2.gz FJGQWPRQHBIZOF-QGZVFWFLSA-N 2 1 303.450 2.227 20 10 DECDMP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214427 689185173 /nfs/dbraw/zinc/18/51/73/689185173.db2.gz FJGQWPRQHBIZOF-QGZVFWFLSA-N 2 1 303.450 2.227 20 10 DECDMP Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525506 690140732 /nfs/dbraw/zinc/14/07/32/690140732.db2.gz GCFKTSQIZGZSGY-QGZVFWFLSA-N 2 1 317.477 2.301 20 10 DECDMP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000925844920 693352368 /nfs/dbraw/zinc/35/23/68/693352368.db2.gz NMWMEBFSSGPBQI-AWEZNQCLSA-N 2 1 309.429 2.257 20 10 DECDMP Cc1ccc(O)c([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925846624 693352705 /nfs/dbraw/zinc/35/27/05/693352705.db2.gz WDBPGNROUSWIJT-INIZCTEOSA-N 2 1 305.466 2.427 20 10 DECDMP COc1cc(C[N@H+]2CCCO[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253546 788107368 /nfs/dbraw/zinc/10/73/68/788107368.db2.gz XSLVYJSVYDRYJR-ZDUSSCGKSA-N 2 1 308.422 2.073 20 10 DECDMP C[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001179729921 795165598 /nfs/dbraw/zinc/16/55/98/795165598.db2.gz QBBUZLIDLRLEMR-CQSZACIVSA-N 2 1 323.456 2.074 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@H](OC)C2)cc(C[NH+](C)C)c1O ZINC001139252819 796349263 /nfs/dbraw/zinc/34/92/63/796349263.db2.gz AHBUGZCYRWZSDW-HNNXBMFYSA-N 2 1 308.422 2.073 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253132 796349417 /nfs/dbraw/zinc/34/94/17/796349417.db2.gz MZANDNWOWFZIPG-BBRMVZONSA-N 2 1 322.449 2.055 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H](C)C3)cc2)CC1 ZINC001140301893 796504061 /nfs/dbraw/zinc/50/40/61/796504061.db2.gz CKWMNIABCREUHS-QGZVFWFLSA-N 2 1 317.477 2.297 20 10 DECDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)cc1 ZINC001203934180 800148077 /nfs/dbraw/zinc/14/80/77/800148077.db2.gz WNEWKIHZQVSJII-UHFFFAOYSA-N 2 1 321.465 2.069 20 10 DECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)cc1 ZINC001203934180 800148079 /nfs/dbraw/zinc/14/80/79/800148079.db2.gz WNEWKIHZQVSJII-UHFFFAOYSA-N 2 1 321.465 2.069 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206188859 800486017 /nfs/dbraw/zinc/48/60/17/800486017.db2.gz WBJJXNVWSPGEMN-NWDGAFQWSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206188859 800486021 /nfs/dbraw/zinc/48/60/21/800486021.db2.gz WBJJXNVWSPGEMN-NWDGAFQWSA-N 2 1 302.777 2.315 20 10 DECDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233455178 802121389 /nfs/dbraw/zinc/12/13/89/802121389.db2.gz ZVWIZCRFZCPSPP-TXEJJXNPSA-N 2 1 300.324 2.404 20 10 DECDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233455178 802121392 /nfs/dbraw/zinc/12/13/92/802121392.db2.gz ZVWIZCRFZCPSPP-TXEJJXNPSA-N 2 1 300.324 2.404 20 10 DECDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233455178 802121394 /nfs/dbraw/zinc/12/13/94/802121394.db2.gz ZVWIZCRFZCPSPP-TXEJJXNPSA-N 2 1 300.324 2.404 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085617 802639780 /nfs/dbraw/zinc/63/97/80/802639780.db2.gz FJWXTTFBLBFKNS-UHFFFAOYSA-N 2 1 316.493 2.060 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4C[C@H]4C3)cc2F)CC1 ZINC001350709325 1151389501 /nfs/dbraw/zinc/38/95/01/1151389501.db2.gz ZQNRYGMGHAWRHN-HOTGVXAUSA-N 2 1 303.425 2.419 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4C[C@H]4C3)cc2F)CC1 ZINC001350709325 1151389505 /nfs/dbraw/zinc/38/95/05/1151389505.db2.gz ZQNRYGMGHAWRHN-HOTGVXAUSA-N 2 1 303.425 2.419 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC001579225446 1067264338 /nfs/dbraw/zinc/26/43/38/1067264338.db2.gz NHBMOKUUHKSBRH-JKSUJKDBSA-N 2 1 303.450 2.335 20 10 DECDMP Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001277519625 1084014372 /nfs/dbraw/zinc/01/43/72/1084014372.db2.gz FVBOCKUBHRMXPL-CALCHBBNSA-N 2 1 321.440 2.050 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c1 ZINC001236078737 1084606504 /nfs/dbraw/zinc/60/65/04/1084606504.db2.gz OZJBIBWSWZWLEB-QGZVFWFLSA-N 2 1 317.477 2.297 20 10 DECDMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(O)cc1O ZINC001276091534 1091538880 /nfs/dbraw/zinc/53/88/80/1091538880.db2.gz RFSXHJWLOFIVLQ-UHFFFAOYSA-N 2 1 320.433 2.414 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCSCC3)c(F)c2)CC1 ZINC001236935082 1138461512 /nfs/dbraw/zinc/46/15/12/1138461512.db2.gz FDOGWEZLKNWFHW-UHFFFAOYSA-N 2 1 309.454 2.126 20 10 DECDMP CCC[C@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318970835 1140482543 /nfs/dbraw/zinc/48/25/43/1140482543.db2.gz JLMWRMBQXZCHTH-GOSISDBHSA-N 2 1 323.456 2.218 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCOC3)cc2F)CC1 ZINC001320170482 1140833777 /nfs/dbraw/zinc/83/37/77/1140833777.db2.gz DLEDJGRRUZZJSX-HNNXBMFYSA-N 2 1 321.440 2.094 20 10 DECDMP CC[NH+](CC)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308253336 1147460652 /nfs/dbraw/zinc/46/06/52/1147460652.db2.gz POFIIMPNDKECIK-KRWDZBQOSA-N 2 1 318.509 2.258 20 10 DECDMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186605572 402447285 /nfs/dbraw/zinc/44/72/85/402447285.db2.gz YPFXRFNXLQZLCT-KBPBESRZSA-N 2 1 309.429 2.208 20 10 DECDMP COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000185366949 333207772 /nfs/dbraw/zinc/20/77/72/333207772.db2.gz QFNTVXUKDPQMNS-OAHLLOKOSA-N 2 1 321.465 2.079 20 10 DECDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375774412 337019298 /nfs/dbraw/zinc/01/92/98/337019298.db2.gz BRKAFRHUSJYOMY-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP COc1cc(O)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000835064938 649874331 /nfs/dbraw/zinc/87/43/31/649874331.db2.gz ZUPRTEPXMVPMJA-UHFFFAOYSA-N 2 1 308.422 2.373 20 10 DECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccn(C)n1 ZINC000839191994 637815655 /nfs/dbraw/zinc/81/56/55/637815655.db2.gz RQXOQXFJHFNFHU-HNNXBMFYSA-N 2 1 313.449 2.023 20 10 DECDMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119005 639461623 /nfs/dbraw/zinc/46/16/23/639461623.db2.gz IXZJXJIZROVLGE-QAPCUYQASA-N 2 1 305.466 2.250 20 10 DECDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769517102 641254545 /nfs/dbraw/zinc/25/45/45/641254545.db2.gz YPLUPQGHWKTRQV-HNNXBMFYSA-N 2 1 322.449 2.334 20 10 DECDMP C[C@@H]1C[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000898447180 641665222 /nfs/dbraw/zinc/66/52/22/641665222.db2.gz GJHJVUHGEAEERR-SUMDDJOVSA-N 2 1 318.509 2.428 20 10 DECDMP Cn1cccc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775714207 642083650 /nfs/dbraw/zinc/08/36/50/642083650.db2.gz RWWRSFSFXGSKEY-UHFFFAOYSA-N 2 1 312.461 2.409 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C3CC3)cc2)CC1 ZINC000775717926 642084615 /nfs/dbraw/zinc/08/46/15/642084615.db2.gz VNFLHUVUYDYFCM-IBGZPJMESA-N 2 1 315.461 2.049 20 10 DECDMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843048423 650877011 /nfs/dbraw/zinc/87/70/11/650877011.db2.gz SKYZITWMFBLWPW-OAHLLOKOSA-N 2 1 318.421 2.366 20 10 DECDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843048423 650877013 /nfs/dbraw/zinc/87/70/13/650877013.db2.gz SKYZITWMFBLWPW-OAHLLOKOSA-N 2 1 318.421 2.366 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCO2 ZINC000843045497 650876391 /nfs/dbraw/zinc/87/63/91/650876391.db2.gz SMSOCVMLLIJXJY-GXTWGEPZSA-N 2 1 304.390 2.085 20 10 DECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000843058392 650879992 /nfs/dbraw/zinc/87/99/92/650879992.db2.gz QVNNZSUJZKBAND-NZSAHSFTSA-N 2 1 315.461 2.082 20 10 DECDMP CN1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000843127719 650902372 /nfs/dbraw/zinc/90/23/72/650902372.db2.gz HIXJVROOXVKJGW-UHFFFAOYSA-N 2 1 324.472 2.187 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817959182 647393488 /nfs/dbraw/zinc/39/34/88/647393488.db2.gz COXGWTBXOXLETI-NJZAAPMLSA-N 2 1 306.406 2.347 20 10 DECDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965108 647395792 /nfs/dbraw/zinc/39/57/92/647395792.db2.gz PQYPGOQVKJLICK-ZDUSSCGKSA-N 2 1 307.413 2.194 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000817984914 647400885 /nfs/dbraw/zinc/40/08/85/647400885.db2.gz CAEIWXJLXVHABT-GFCCVEGCSA-N 2 1 304.390 2.139 20 10 DECDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000844901039 651180547 /nfs/dbraw/zinc/18/05/47/651180547.db2.gz CZWDOADBPHYLNH-HKUYNNGSSA-N 2 1 315.461 2.084 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000846045186 651304169 /nfs/dbraw/zinc/30/41/69/651304169.db2.gz VNMZSQHCSLIYBF-QFBILLFUSA-N 2 1 317.477 2.438 20 10 DECDMP COc1ccc(O)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000848534436 651468136 /nfs/dbraw/zinc/46/81/36/651468136.db2.gz PSMYXUJIKJZITP-KRWDZBQOSA-N 2 1 320.433 2.134 20 10 DECDMP CCc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000848884503 651544149 /nfs/dbraw/zinc/54/41/49/651544149.db2.gz MCSXHORIKHMFCK-GOSISDBHSA-N 2 1 317.477 2.166 20 10 DECDMP COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646833 686540134 /nfs/dbraw/zinc/54/01/34/686540134.db2.gz PXEZNSSDVUHWFQ-NWDGAFQWSA-N 2 1 318.339 2.360 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873271749 689199516 /nfs/dbraw/zinc/19/95/16/689199516.db2.gz KKCBLBPZSRUWEQ-RYUDHWBXSA-N 2 1 306.406 2.218 20 10 DECDMP Cc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC000877020316 689999144 /nfs/dbraw/zinc/99/91/44/689999144.db2.gz PBHZUZIPVGVFCR-UHFFFAOYSA-N 2 1 305.466 2.064 20 10 DECDMP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1c(O)cccc1F ZINC000886526351 692101989 /nfs/dbraw/zinc/10/19/89/692101989.db2.gz KWJBEPPWICBFST-KBPBESRZSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1c(O)cccc1F ZINC000886526351 692101990 /nfs/dbraw/zinc/10/19/90/692101990.db2.gz KWJBEPPWICBFST-KBPBESRZSA-N 2 1 310.413 2.419 20 10 DECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206196343 793647373 /nfs/dbraw/zinc/64/73/73/793647373.db2.gz BJWOKZRFHXCDRY-NEPJUHHUSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206196343 793647378 /nfs/dbraw/zinc/64/73/78/793647378.db2.gz BJWOKZRFHXCDRY-NEPJUHHUSA-N 2 1 302.777 2.315 20 10 DECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCOC1 ZINC001116910506 794999228 /nfs/dbraw/zinc/99/92/28/794999228.db2.gz CYSSNCUEOHNNTF-ZBFHGGJFSA-N 2 1 321.440 2.092 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253135 796349089 /nfs/dbraw/zinc/34/90/89/796349089.db2.gz MZANDNWOWFZIPG-XJKSGUPXSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@H+]2CC[C@]3(CCCO3)C2)cc(C[NH+](C)C)c1O ZINC001139255701 796349977 /nfs/dbraw/zinc/34/99/77/796349977.db2.gz ROWKVGMTWSRTPA-GOSISDBHSA-N 2 1 320.433 2.217 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254575 796350406 /nfs/dbraw/zinc/35/04/06/796350406.db2.gz ITYVAKKUVZEGHA-FZKQIMNGSA-N 2 1 322.449 2.055 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CCCO4)C3)cc2)CC1 ZINC001139409036 796371988 /nfs/dbraw/zinc/37/19/88/796371988.db2.gz SPUDQRVDZFKPAK-IBGZPJMESA-N 2 1 315.461 2.193 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC001139409798 796372921 /nfs/dbraw/zinc/37/29/21/796372921.db2.gz SSQKHFLFBOCFKZ-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140054949 796470965 /nfs/dbraw/zinc/47/09/65/796470965.db2.gz AVZOKYMZCWCLJK-UHFFFAOYSA-N 2 1 323.456 2.381 20 10 DECDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001206305080 800505910 /nfs/dbraw/zinc/50/59/10/800505910.db2.gz SOEMDELROOVNGJ-LJQANCHMSA-N 2 1 317.477 2.474 20 10 DECDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206617029 800565777 /nfs/dbraw/zinc/56/57/77/800565777.db2.gz YEOQHIWXZABBJL-KRWDZBQOSA-N 2 1 303.450 2.084 20 10 DECDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206622886 800567057 /nfs/dbraw/zinc/56/70/57/800567057.db2.gz IKSICSCZECNWBP-QGZVFWFLSA-N 2 1 317.477 2.209 20 10 DECDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001576116888 1066497288 /nfs/dbraw/zinc/49/72/88/1066497288.db2.gz BNCGLWWZNZBTES-DOTOQJQBSA-N 2 1 317.477 2.207 20 10 DECDMP CCCC[N@@H+](Cc1c(C[NH3+])cnn1C)Cc1ccccc1O ZINC001577457562 1066848331 /nfs/dbraw/zinc/84/83/31/1066848331.db2.gz ATBIHILPXHVWKL-UHFFFAOYSA-N 2 1 302.422 2.387 20 10 DECDMP CC[C@H](O)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001560350553 1075138391 /nfs/dbraw/zinc/13/83/91/1075138391.db2.gz XUMGYGMYMWZUCE-INIZCTEOSA-N 2 1 323.456 2.218 20 10 DECDMP Cc1cc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235007505 1084269812 /nfs/dbraw/zinc/26/98/12/1084269812.db2.gz LNLNCLGETJVOAP-LJQANCHMSA-N 2 1 317.477 2.263 20 10 DECDMP Cc1cc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235007505 1084269824 /nfs/dbraw/zinc/26/98/24/1084269824.db2.gz LNLNCLGETJVOAP-LJQANCHMSA-N 2 1 317.477 2.263 20 10 DECDMP c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CCO2 ZINC001235690892 1084501578 /nfs/dbraw/zinc/50/15/78/1084501578.db2.gz HSMMHKDOXOILPN-UHFFFAOYSA-N 2 1 323.440 2.491 20 10 DECDMP Cc1c(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c2ccccc2n1C ZINC001236073408 1084604703 /nfs/dbraw/zinc/60/47/03/1084604703.db2.gz MTJGTNOYXUGKNR-MRXNPFEDSA-N 2 1 312.461 2.094 20 10 DECDMP Nc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236105859 1084612970 /nfs/dbraw/zinc/61/29/70/1084612970.db2.gz UHQDCAPRCIESMS-UHFFFAOYSA-N 2 1 322.456 2.237 20 10 DECDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccccc3O)(C1)CCC2 ZINC001275266583 1091643405 /nfs/dbraw/zinc/64/34/05/1091643405.db2.gz BAVWFMDOSHLHFJ-RBUKOAKNSA-N 2 1 317.477 2.478 20 10 DECDMP COC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933080 1138460867 /nfs/dbraw/zinc/46/08/67/1138460867.db2.gz URCNISQTVNOJFL-OAHLLOKOSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246789973 1141061071 /nfs/dbraw/zinc/06/10/71/1141061071.db2.gz KMTNJCLWJGPRMQ-MAUKXSAKSA-N 2 1 303.450 2.096 20 10 DECDMP COCCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324732123 1147837849 /nfs/dbraw/zinc/83/78/49/1147837849.db2.gz DSBFXSYRQHJHRL-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP COCCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324732123 1147837851 /nfs/dbraw/zinc/83/78/51/1147837851.db2.gz DSBFXSYRQHJHRL-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP COCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324732123 1147837852 /nfs/dbraw/zinc/83/78/52/1147837852.db2.gz DSBFXSYRQHJHRL-UHFFFAOYSA-N 2 1 309.429 2.046 20 10 DECDMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635396 403524245 /nfs/dbraw/zinc/52/42/45/403524245.db2.gz LUPRZYOBXJGIPN-KRWDZBQOSA-N 2 1 304.390 2.039 20 10 DECDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635396 403524248 /nfs/dbraw/zinc/52/42/48/403524248.db2.gz LUPRZYOBXJGIPN-KRWDZBQOSA-N 2 1 304.390 2.039 20 10 DECDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635396 403524253 /nfs/dbraw/zinc/52/42/53/403524253.db2.gz LUPRZYOBXJGIPN-KRWDZBQOSA-N 2 1 304.390 2.039 20 10 DECDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635396 403524255 /nfs/dbraw/zinc/52/42/55/403524255.db2.gz LUPRZYOBXJGIPN-KRWDZBQOSA-N 2 1 304.390 2.039 20 10 DECDMP COc1cc(C)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000894564915 637108763 /nfs/dbraw/zinc/10/87/63/637108763.db2.gz BFZGNYLOJHVVSM-HNNXBMFYSA-N 2 1 322.449 2.300 20 10 DECDMP COc1cc(C)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000894564915 637108766 /nfs/dbraw/zinc/10/87/66/637108766.db2.gz BFZGNYLOJHVVSM-HNNXBMFYSA-N 2 1 322.449 2.300 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413889 637167139 /nfs/dbraw/zinc/16/71/39/637167139.db2.gz JLGJSZPFXSXZJV-HKUYNNGSSA-N 2 1 315.461 2.097 20 10 DECDMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1Cn1cccn1 ZINC000895290723 637894313 /nfs/dbraw/zinc/89/43/13/637894313.db2.gz SDCRLVGSPSOBTB-OAHLLOKOSA-N 2 1 316.449 2.370 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000840934320 650388882 /nfs/dbraw/zinc/38/88/82/650388882.db2.gz OCJKVZQGWRXMQT-IBGZPJMESA-N 2 1 319.493 2.388 20 10 DECDMP C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840979488 650399226 /nfs/dbraw/zinc/39/92/26/650399226.db2.gz SGQPXAJSPDXFEJ-WMZOPIPTSA-N 2 1 317.477 2.031 20 10 DECDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000841099349 650430759 /nfs/dbraw/zinc/43/07/59/650430759.db2.gz ILBVHYHWNCLJPP-WBVHZDCISA-N 2 1 308.397 2.250 20 10 DECDMP C[NH2+]CCC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000841103739 650432046 /nfs/dbraw/zinc/43/20/46/650432046.db2.gz JDHOSKZVDUYLDC-UHFFFAOYSA-N 2 1 317.227 2.205 20 10 DECDMP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000841103739 650432048 /nfs/dbraw/zinc/43/20/48/650432048.db2.gz JDHOSKZVDUYLDC-UHFFFAOYSA-N 2 1 317.227 2.205 20 10 DECDMP CNc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc[nH+]1 ZINC000897522372 640539693 /nfs/dbraw/zinc/53/96/93/640539693.db2.gz MXDSPALVIDDBDI-OAHLLOKOSA-N 2 1 314.437 2.299 20 10 DECDMP CNc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc[nH+]1 ZINC000897522371 640540013 /nfs/dbraw/zinc/54/00/13/640540013.db2.gz MXDSPALVIDDBDI-HNNXBMFYSA-N 2 1 314.437 2.299 20 10 DECDMP COCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000766029886 640840885 /nfs/dbraw/zinc/84/08/85/640840885.db2.gz PDKILYWILNQUFL-UHFFFAOYSA-N 2 1 305.466 2.261 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000770352046 641358669 /nfs/dbraw/zinc/35/86/69/641358669.db2.gz XKQFHGLOXFMXLT-JCKWVBRZSA-N 2 1 320.433 2.084 20 10 DECDMP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000775648783 642071270 /nfs/dbraw/zinc/07/12/70/642071270.db2.gz WZLSXEFHWZWTRG-UHFFFAOYSA-N 2 1 308.422 2.326 20 10 DECDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2O)CC1 ZINC000775648783 642071274 /nfs/dbraw/zinc/07/12/74/642071274.db2.gz WZLSXEFHWZWTRG-UHFFFAOYSA-N 2 1 308.422 2.326 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000775660712 642074445 /nfs/dbraw/zinc/07/44/45/642074445.db2.gz IWJZEQIOAFQXFH-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCO1 ZINC000775664494 642075599 /nfs/dbraw/zinc/07/55/99/642075599.db2.gz WJCKEEGSMFRCMF-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP C[C@@H]1CSCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775696393 642080850 /nfs/dbraw/zinc/08/08/50/642080850.db2.gz KBJREMZHMBPTAJ-OAHLLOKOSA-N 2 1 305.491 2.376 20 10 DECDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051026 650877843 /nfs/dbraw/zinc/87/78/43/650877843.db2.gz DENGXNDNURXTNG-RDJZCZTQSA-N 2 1 303.450 2.082 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843060024 650881027 /nfs/dbraw/zinc/88/10/27/650881027.db2.gz ANCIHLUFRKTXDX-INIZCTEOSA-N 2 1 303.450 2.207 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCO2 ZINC000841086259 644996574 /nfs/dbraw/zinc/99/65/74/644996574.db2.gz GSQASHFSARADGO-GXTWGEPZSA-N 2 1 304.390 2.085 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000817957625 647392752 /nfs/dbraw/zinc/39/27/52/647392752.db2.gz NGJNYPOGHYLVAO-CHWSQXEVSA-N 2 1 306.406 2.219 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000817981362 647399418 /nfs/dbraw/zinc/39/94/18/647399418.db2.gz RLIUWYHJUJQEDV-OCCSQVGLSA-N 2 1 306.406 2.362 20 10 DECDMP Oc1cccc2c1[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000817983987 647400821 /nfs/dbraw/zinc/40/08/21/647400821.db2.gz TVSAHCQQBHPGCG-OFLPRAFFSA-N 2 1 315.461 2.186 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1=CCCOC1 ZINC000827189645 648989115 /nfs/dbraw/zinc/98/91/15/648989115.db2.gz LPBZZHHHYQKSOX-UHFFFAOYSA-N 2 1 315.461 2.217 20 10 DECDMP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000848521055 651466288 /nfs/dbraw/zinc/46/62/88/651466288.db2.gz SCPJOJGCBPPUPB-SFHVURJKSA-N 2 1 303.450 2.096 20 10 DECDMP CCc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1O ZINC000848897288 651550198 /nfs/dbraw/zinc/55/01/98/651550198.db2.gz OGANXUSIQMYADM-KRWDZBQOSA-N 2 1 306.450 2.281 20 10 DECDMP Cc1cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1N(C)C ZINC000852707148 652442446 /nfs/dbraw/zinc/44/24/46/652442446.db2.gz DIDJBBFZSACPBH-SFHVURJKSA-N 2 1 317.477 2.092 20 10 DECDMP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1N(C)C ZINC000852707148 652442449 /nfs/dbraw/zinc/44/24/49/652442449.db2.gz DIDJBBFZSACPBH-SFHVURJKSA-N 2 1 317.477 2.092 20 10 DECDMP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1N(C)C ZINC000852707148 652442451 /nfs/dbraw/zinc/44/24/51/652442451.db2.gz DIDJBBFZSACPBH-SFHVURJKSA-N 2 1 317.477 2.092 20 10 DECDMP COc1cc(C)cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000853623004 652580440 /nfs/dbraw/zinc/58/04/40/652580440.db2.gz CZDGRHVTOBYXKU-MRXNPFEDSA-N 2 1 322.449 2.252 20 10 DECDMP CCC[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000389261137 685433415 /nfs/dbraw/zinc/43/34/15/685433415.db2.gz ORROLKOLHLZSEZ-KRWDZBQOSA-N 2 1 303.450 2.097 20 10 DECDMP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000865773645 687330552 /nfs/dbraw/zinc/33/05/52/687330552.db2.gz FPMBRZAPHYQOLJ-UHFFFAOYSA-N 2 1 300.406 2.025 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873228644 689189265 /nfs/dbraw/zinc/18/92/65/689189265.db2.gz VDYUOWQJSRNSDL-TZMCWYRMSA-N 2 1 301.356 2.322 20 10 DECDMP CN(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000873228644 689189268 /nfs/dbraw/zinc/18/92/68/689189268.db2.gz VDYUOWQJSRNSDL-TZMCWYRMSA-N 2 1 301.356 2.322 20 10 DECDMP COCC[N@H+](Cc1ccc(C)cc1O)CC1CC[NH+](C)CC1 ZINC000877664286 690182527 /nfs/dbraw/zinc/18/25/27/690182527.db2.gz NHPLESSKNPNKHC-UHFFFAOYSA-N 2 1 306.450 2.491 20 10 DECDMP COCC[N@H+](Cc1cc(F)ccc1O)CC1CC[NH+](C)CC1 ZINC000877664818 690182829 /nfs/dbraw/zinc/18/28/29/690182829.db2.gz YBWGVYRKWXQJPY-UHFFFAOYSA-N 2 1 310.413 2.322 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)CC(C)(C)O ZINC001140306466 777046645 /nfs/dbraw/zinc/04/66/45/777046645.db2.gz SQIUUMGUNUJFED-UHFFFAOYSA-N 2 1 319.493 2.421 20 10 DECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206196344 793647069 /nfs/dbraw/zinc/64/70/69/793647069.db2.gz BJWOKZRFHXCDRY-NWDGAFQWSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206196344 793647073 /nfs/dbraw/zinc/64/70/73/793647073.db2.gz BJWOKZRFHXCDRY-NWDGAFQWSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc(C[NH+](C)C)c1O ZINC001139256731 796349958 /nfs/dbraw/zinc/34/99/58/796349958.db2.gz IRFVCMITJVCEAU-AEGPPILISA-N 2 1 308.397 2.395 20 10 DECDMP CC(C)[C@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411039 796372942 /nfs/dbraw/zinc/37/29/42/796372942.db2.gz RKQTXIFNTGAMFD-LJQANCHMSA-N 2 1 317.477 2.295 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3COC)cc2)CC1 ZINC001140299619 796503348 /nfs/dbraw/zinc/50/33/48/796503348.db2.gz CECQPRUVSWRORF-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205760808 800415528 /nfs/dbraw/zinc/41/55/28/800415528.db2.gz CWQQPVGFGRUTIL-LBPRGKRZSA-N 2 1 300.349 2.207 20 10 DECDMP CCOc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205760808 800415534 /nfs/dbraw/zinc/41/55/34/800415534.db2.gz CWQQPVGFGRUTIL-LBPRGKRZSA-N 2 1 300.349 2.207 20 10 DECDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001206310753 800505705 /nfs/dbraw/zinc/50/57/05/800505705.db2.gz BPTSHIKIZMABQQ-LJQANCHMSA-N 3 1 316.493 2.047 20 10 DECDMP COc1cc(C)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c1 ZINC001462482967 1058836492 /nfs/dbraw/zinc/83/64/92/1058836492.db2.gz YDUNKQQAQXEQJE-OAHLLOKOSA-N 2 1 322.449 2.252 20 10 DECDMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc(O)c1O ZINC001275963305 1092385483 /nfs/dbraw/zinc/38/54/83/1092385483.db2.gz RMUYRWFLPRITSR-UHFFFAOYSA-N 2 1 320.433 2.414 20 10 DECDMP Nc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001236231364 1138341227 /nfs/dbraw/zinc/34/12/27/1138341227.db2.gz IMYLPDBTONIZJQ-UHFFFAOYSA-N 2 1 322.456 2.237 20 10 DECDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246789977 1141060788 /nfs/dbraw/zinc/06/07/88/1141060788.db2.gz KMTNJCLWJGPRMQ-YJBOKZPZSA-N 2 1 303.450 2.096 20 10 DECDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)c(C)c1 ZINC001246933782 1141144863 /nfs/dbraw/zinc/14/48/63/1141144863.db2.gz LABLABAFXZZCOC-CVEARBPZSA-N 2 1 303.450 2.266 20 10 DECDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001336703181 1142538068 /nfs/dbraw/zinc/53/80/68/1142538068.db2.gz IGSQECQWIQOWRW-IBGZPJMESA-N 2 1 317.477 2.222 20 10 DECDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001336703181 1142538078 /nfs/dbraw/zinc/53/80/78/1142538078.db2.gz IGSQECQWIQOWRW-IBGZPJMESA-N 2 1 317.477 2.222 20 10 DECDMP CC[C@@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341802166 1143711911 /nfs/dbraw/zinc/71/19/11/1143711911.db2.gz JAUKECSDNCFZJL-HNNXBMFYSA-N 2 1 309.429 2.092 20 10 DECDMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001326848139 1148269429 /nfs/dbraw/zinc/26/94/29/1148269429.db2.gz WVLOJWZAEQUFFG-UHFFFAOYSA-N 2 1 317.477 2.223 20 10 DECDMP COc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282192080 403130764 /nfs/dbraw/zinc/13/07/64/403130764.db2.gz GIPJBACUUHOJGV-CQSZACIVSA-N 2 1 321.465 2.077 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)cc2F)CC1 ZINC001348860011 1151202988 /nfs/dbraw/zinc/20/29/88/1151202988.db2.gz LIHAUXVOJCHCHY-MUJYYYPQSA-N 2 1 303.425 2.466 20 10 DECDMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c1OC ZINC000892100117 624782239 /nfs/dbraw/zinc/78/22/39/624782239.db2.gz CNSZJEXSQYNPFJ-AWEZNQCLSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c1OC ZINC000892100117 624782240 /nfs/dbraw/zinc/78/22/40/624782240.db2.gz CNSZJEXSQYNPFJ-AWEZNQCLSA-N 2 1 320.433 2.327 20 10 DECDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3O)C2)[C@H]1C(C)C ZINC000922392866 636154784 /nfs/dbraw/zinc/15/47/84/636154784.db2.gz OIKZQYRESWDGIL-OWYHZJEWSA-N 2 1 318.461 2.352 20 10 DECDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(O)c1OC ZINC000894497108 637069871 /nfs/dbraw/zinc/06/98/71/637069871.db2.gz UHQUYQFFXNXYAZ-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(O)c1OC ZINC000894497108 637069874 /nfs/dbraw/zinc/06/98/74/637069874.db2.gz UHQUYQFFXNXYAZ-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(O)c1OC ZINC000894497108 637069878 /nfs/dbraw/zinc/06/98/78/637069878.db2.gz UHQUYQFFXNXYAZ-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(O)c1OC ZINC000894497108 637069889 /nfs/dbraw/zinc/06/98/89/637069889.db2.gz UHQUYQFFXNXYAZ-OCCSQVGLSA-N 2 1 308.422 2.181 20 10 DECDMP COc1c(O)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000841083184 650425660 /nfs/dbraw/zinc/42/56/60/650425660.db2.gz PJYGLOVYTZXGJI-HAQNSBGRSA-N 2 1 323.393 2.164 20 10 DECDMP C[N@@H+](Cc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000757886245 639892302 /nfs/dbraw/zinc/89/23/02/639892302.db2.gz BGRITLAJECRDAP-UHFFFAOYSA-N 2 1 310.445 2.465 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000770352045 641358854 /nfs/dbraw/zinc/35/88/54/641358854.db2.gz XKQFHGLOXFMXLT-DHSIGJKJSA-N 2 1 320.433 2.084 20 10 DECDMP CC[C@@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775656445 642074508 /nfs/dbraw/zinc/07/45/08/642074508.db2.gz URNKWIBVTAMVFL-QGZVFWFLSA-N 2 1 303.450 2.049 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000902518700 643063359 /nfs/dbraw/zinc/06/33/59/643063359.db2.gz TZYVUBSEGGPZAM-JZXOWHBKSA-N 2 1 304.482 2.215 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000902518701 643063530 /nfs/dbraw/zinc/06/35/30/643063530.db2.gz TZYVUBSEGGPZAM-NUJGCVRESA-N 2 1 304.482 2.215 20 10 DECDMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519015 643063642 /nfs/dbraw/zinc/06/36/42/643063642.db2.gz WMEIVLUDUBNGIA-AYOQOUSVSA-N 2 1 318.509 2.333 20 10 DECDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843050888 650877512 /nfs/dbraw/zinc/87/75/12/650877512.db2.gz AOHCGTBWKNMBNK-HOCLYGCPSA-N 2 1 321.440 2.222 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843117843 650899077 /nfs/dbraw/zinc/89/90/77/650899077.db2.gz VGCAPIINGVQZPQ-IBGZPJMESA-N 2 1 315.461 2.099 20 10 DECDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889382 647372120 /nfs/dbraw/zinc/37/21/20/647372120.db2.gz UFABPXVTKUBPAQ-SJORKVTESA-N 2 1 321.440 2.412 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844903086 651181141 /nfs/dbraw/zinc/18/11/41/651181141.db2.gz RMSMQLQYKFREBO-LNLFQRSKSA-N 2 1 317.477 2.471 20 10 DECDMP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000848521053 651466286 /nfs/dbraw/zinc/46/62/86/651466286.db2.gz SCPJOJGCBPPUPB-GOSISDBHSA-N 2 1 303.450 2.096 20 10 DECDMP CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000854218182 652659943 /nfs/dbraw/zinc/65/99/43/652659943.db2.gz TTYZWKSDIAHCJK-OLMNPRSZSA-N 2 1 303.450 2.394 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000873240143 689191207 /nfs/dbraw/zinc/19/12/07/689191207.db2.gz KPFXYIOERKTFMP-YRGRVCCFSA-N 2 1 306.406 2.347 20 10 DECDMP Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000876811445 689944079 /nfs/dbraw/zinc/94/40/79/689944079.db2.gz KODKLBKGLWEVAS-QILLFSRXSA-N 2 1 304.434 2.384 20 10 DECDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877027016 690001361 /nfs/dbraw/zinc/00/13/61/690001361.db2.gz IPIJSNTVYSWPKQ-QGZVFWFLSA-N 2 1 317.477 2.079 20 10 DECDMP COC[C@@H]1CCCC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139254312 796349804 /nfs/dbraw/zinc/34/98/04/796349804.db2.gz GGIJAXGJSLOKLT-INIZCTEOSA-N 2 1 322.449 2.463 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)CC3)cc2)CC1 ZINC001140302011 796503032 /nfs/dbraw/zinc/50/30/32/796503032.db2.gz HHOJSZGSDWFEKN-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205124743 800301253 /nfs/dbraw/zinc/30/12/53/800301253.db2.gz ZHNVTEVVMNXDAE-OAHLLOKOSA-N 2 1 323.868 2.490 20 10 DECDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205124743 800301261 /nfs/dbraw/zinc/30/12/61/800301261.db2.gz ZHNVTEVVMNXDAE-OAHLLOKOSA-N 2 1 323.868 2.490 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001205241543 800328935 /nfs/dbraw/zinc/32/89/35/800328935.db2.gz SORLWIVTYMENRQ-SFHVURJKSA-N 2 1 300.402 2.221 20 10 DECDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205558896 800377314 /nfs/dbraw/zinc/37/73/14/800377314.db2.gz LGOHXBVCWJIJCS-SFHVURJKSA-N 2 1 321.440 2.176 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(OC)c1 ZINC001205626531 800389178 /nfs/dbraw/zinc/38/91/78/800389178.db2.gz GYWOVZRUHGMUOO-STQMWFEESA-N 2 1 308.422 2.216 20 10 DECDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001206305079 800505778 /nfs/dbraw/zinc/50/57/78/800505778.db2.gz SOEMDELROOVNGJ-IBGZPJMESA-N 2 1 317.477 2.474 20 10 DECDMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976891 1084580041 /nfs/dbraw/zinc/58/00/41/1084580041.db2.gz DKZAYNCQNLKMJK-BEFAXECRSA-N 2 1 313.445 2.014 20 10 DECDMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976891 1084580048 /nfs/dbraw/zinc/58/00/48/1084580048.db2.gz DKZAYNCQNLKMJK-BEFAXECRSA-N 2 1 313.445 2.014 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)cc1O ZINC001276091004 1091536110 /nfs/dbraw/zinc/53/61/10/1091536110.db2.gz HSKAPHJTXCLSFB-SFHVURJKSA-N 2 1 320.433 2.414 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)cc1O ZINC001276091004 1091536117 /nfs/dbraw/zinc/53/61/17/1091536117.db2.gz HSKAPHJTXCLSFB-SFHVURJKSA-N 2 1 320.433 2.414 20 10 DECDMP COc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)cc1O ZINC001276091004 1091536126 /nfs/dbraw/zinc/53/61/26/1091536126.db2.gz HSKAPHJTXCLSFB-SFHVURJKSA-N 2 1 320.433 2.414 20 10 DECDMP COc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(O)cc1O ZINC001276091004 1091536135 /nfs/dbraw/zinc/53/61/35/1091536135.db2.gz HSKAPHJTXCLSFB-SFHVURJKSA-N 2 1 320.433 2.414 20 10 DECDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC001275275915 1091646451 /nfs/dbraw/zinc/64/64/51/1091646451.db2.gz BTJXEJJIYUOIIO-XJKSGUPXSA-N 2 1 323.868 2.113 20 10 DECDMP CN(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(O)c1 ZINC001275585671 1091888932 /nfs/dbraw/zinc/88/89/32/1091888932.db2.gz YXXGUSGWCHRQCT-UHFFFAOYSA-N 2 1 303.450 2.376 20 10 DECDMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236213861 1138340788 /nfs/dbraw/zinc/34/07/88/1138340788.db2.gz XSEBEVAMUAPTNH-UHFFFAOYSA-N 3 1 316.493 2.059 20 10 DECDMP CO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933684 1138460687 /nfs/dbraw/zinc/46/06/87/1138460687.db2.gz ZLGGXOGNAIMYSU-KRWDZBQOSA-N 2 1 321.440 2.188 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237390519 1138603959 /nfs/dbraw/zinc/60/39/59/1138603959.db2.gz IXCRLEMILJXEPW-HKUYNNGSSA-N 2 1 315.461 2.097 20 10 DECDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)c(C)c1 ZINC001246933900 1141145236 /nfs/dbraw/zinc/14/52/36/1141145236.db2.gz LABLABAFXZZCOC-HZPDHXFCSA-N 2 1 303.450 2.266 20 10 DECDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001253203273 1142853433 /nfs/dbraw/zinc/85/34/33/1142853433.db2.gz FCCYXGNDWHFNKS-LJQANCHMSA-N 2 1 319.493 2.469 20 10 DECDMP C[N@@H+](Cc1ccccc1O)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695758 1143862980 /nfs/dbraw/zinc/86/29/80/1143862980.db2.gz LYZSXEHXXNIYNI-UHFFFAOYSA-N 2 1 304.434 2.467 20 10 DECDMP CCOCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324940816 1147860626 /nfs/dbraw/zinc/86/06/26/1147860626.db2.gz SFHFVADXSFUPKQ-UHFFFAOYSA-N 2 1 323.456 2.482 20 10 DECDMP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285524994 131177430 /nfs/dbraw/zinc/17/74/30/131177430.db2.gz BJUCVDVYJXIZGO-XJKSGUPXSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cccc(O)c32)CCCO1 ZINC000296618183 404312497 /nfs/dbraw/zinc/31/24/97/404312497.db2.gz YYXYNCJQLYLCGY-HOCLYGCPSA-N 2 1 304.434 2.470 20 10 DECDMP Cc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000377632601 534704259 /nfs/dbraw/zinc/70/42/59/534704259.db2.gz TXCYVMRSVXJMLG-SFHVURJKSA-N 2 1 317.477 2.301 20 10 DECDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1OC ZINC000892608268 625190190 /nfs/dbraw/zinc/19/01/90/625190190.db2.gz OZKUGWJNYQDELO-ZIAGYGMSSA-N 2 1 306.406 2.126 20 10 DECDMP COC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775689379 642080169 /nfs/dbraw/zinc/08/01/69/642080169.db2.gz DYLUHZBHTLBANP-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000775725994 642085849 /nfs/dbraw/zinc/08/58/49/642085849.db2.gz NOXURYBRODPMMV-KRWDZBQOSA-N 2 1 322.449 2.334 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](CO)C(C)(C)C ZINC000775734423 642086305 /nfs/dbraw/zinc/08/63/05/642086305.db2.gz OYMDDCSDWJACKO-SFHVURJKSA-N 2 1 319.493 2.277 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCSCC3)cc2)CC1 ZINC000780893936 642685242 /nfs/dbraw/zinc/68/52/42/642685242.db2.gz VLQMDBMRISEBQU-UHFFFAOYSA-N 2 1 305.491 2.377 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000902516073 643061780 /nfs/dbraw/zinc/06/17/80/643061780.db2.gz ANMQZBAALSDEDK-JQHSSLGASA-N 2 1 304.482 2.072 20 10 DECDMP CN(C)c1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000902518653 643063188 /nfs/dbraw/zinc/06/31/88/643063188.db2.gz SGOPJUMKYKHEHT-SUTQANCOSA-N 2 1 316.493 2.228 20 10 DECDMP Cc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000903972741 643530868 /nfs/dbraw/zinc/53/08/68/643530868.db2.gz KZVFBZJNKBFWCT-INIZCTEOSA-N 2 1 304.434 2.257 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000843047240 650876528 /nfs/dbraw/zinc/87/65/28/650876528.db2.gz PIILPFIXSBDAQE-PBWFPOADSA-N 2 1 306.406 2.124 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCO2 ZINC000843126626 650902295 /nfs/dbraw/zinc/90/22/95/650902295.db2.gz MDCDIUCDCKPVTM-ZIAGYGMSSA-N 2 1 318.417 2.333 20 10 DECDMP CCCC[N@@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809751360 646276045 /nfs/dbraw/zinc/27/60/45/646276045.db2.gz DGKBZHLLVHHGJJ-UHFFFAOYSA-N 2 1 319.493 2.423 20 10 DECDMP COC[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975428 647399072 /nfs/dbraw/zinc/39/90/72/647399072.db2.gz UGFBTLGRVCNLEZ-BTJLNZGRSA-N 2 1 308.397 2.438 20 10 DECDMP COC[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975430 647399132 /nfs/dbraw/zinc/39/91/32/647399132.db2.gz UGFBTLGRVCNLEZ-PLQHRBFRSA-N 2 1 308.397 2.438 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000818616400 647489152 /nfs/dbraw/zinc/48/91/52/647489152.db2.gz WDQPIVYHIUBPKL-HDMKZQKVSA-N 2 1 303.450 2.109 20 10 DECDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000824815278 648656382 /nfs/dbraw/zinc/65/63/82/648656382.db2.gz KXJZVENVWDKMAM-QFBILLFUSA-N 2 1 317.477 2.295 20 10 DECDMP CCc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000825079091 648699280 /nfs/dbraw/zinc/69/92/80/648699280.db2.gz LHDOMUZDNLGQOS-UHFFFAOYSA-N 2 1 314.433 2.279 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844903087 651181155 /nfs/dbraw/zinc/18/11/55/651181155.db2.gz RMSMQLQYKFREBO-SCTDSRPQSA-N 2 1 317.477 2.471 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000844913061 651182562 /nfs/dbraw/zinc/18/25/62/651182562.db2.gz YFPHRALUAHFWJF-KYJSFNMBSA-N 2 1 320.433 2.262 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])C1 ZINC000844912782 651182662 /nfs/dbraw/zinc/18/26/62/651182662.db2.gz XFWYHOUKKQGAEM-KBMXLJTQSA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2O)C1 ZINC000844912782 651182663 /nfs/dbraw/zinc/18/26/63/651182663.db2.gz XFWYHOUKKQGAEM-KBMXLJTQSA-N 2 1 308.397 2.392 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2O)C1 ZINC000844912782 651182664 /nfs/dbraw/zinc/18/26/64/651182664.db2.gz XFWYHOUKKQGAEM-KBMXLJTQSA-N 2 1 308.397 2.392 20 10 DECDMP CCc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000848908765 651554805 /nfs/dbraw/zinc/55/48/05/651554805.db2.gz CWTJLCPWVYWTES-UHFFFAOYSA-N 2 1 305.466 2.070 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000850488092 651937941 /nfs/dbraw/zinc/93/79/41/651937941.db2.gz LBJYJDJJDPUELR-XHSDSOJGSA-N 2 1 303.450 2.346 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000850488092 651937943 /nfs/dbraw/zinc/93/79/43/651937943.db2.gz LBJYJDJJDPUELR-XHSDSOJGSA-N 2 1 303.450 2.346 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393565696 685452701 /nfs/dbraw/zinc/45/27/01/685452701.db2.gz ZTBNVFDMBREOLD-MJGOQNOKSA-N 2 1 315.461 2.240 20 10 DECDMP CCCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000873020335 689142662 /nfs/dbraw/zinc/14/26/62/689142662.db2.gz OMYWSOXJAIFYTN-KRWDZBQOSA-N 2 1 306.450 2.330 20 10 DECDMP C[NH+](C)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876596157 689870888 /nfs/dbraw/zinc/87/08/88/689870888.db2.gz OJUJUFNUJMNGQV-UHFFFAOYSA-N 2 1 317.477 2.174 20 10 DECDMP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883087071 691426491 /nfs/dbraw/zinc/42/64/91/691426491.db2.gz MZRBZLXDXBXSBC-UHFFFAOYSA-N 2 1 302.365 2.118 20 10 DECDMP COc1ccc(O)c([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925844880 693352046 /nfs/dbraw/zinc/35/20/46/693352046.db2.gz NGGHAHBMILNQLU-OAHLLOKOSA-N 2 1 321.465 2.127 20 10 DECDMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001335167021 1150380999 /nfs/dbraw/zinc/38/09/99/1150380999.db2.gz NDKSIYIVDJBZFN-CQSZACIVSA-N 2 1 323.456 2.481 20 10 DECDMP CC[C@@H](C)[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118881722 795234760 /nfs/dbraw/zinc/23/47/60/795234760.db2.gz GELUZDFJTHYNAD-OAHLLOKOSA-N 2 1 323.456 2.170 20 10 DECDMP CC[C@@H](C)[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118881722 795234765 /nfs/dbraw/zinc/23/47/65/795234765.db2.gz GELUZDFJTHYNAD-OAHLLOKOSA-N 2 1 323.456 2.170 20 10 DECDMP CN1CCN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)CC1 ZINC001119699082 795340865 /nfs/dbraw/zinc/34/08/65/795340865.db2.gz IVJVMKJNKGGEEE-UHFFFAOYSA-N 2 1 316.493 2.046 20 10 DECDMP COc1cc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139254127 796350431 /nfs/dbraw/zinc/35/04/31/796350431.db2.gz FBEXSQVPRWRNII-UGSOOPFHSA-N 2 1 322.449 2.055 20 10 DECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CO ZINC001139409030 796372509 /nfs/dbraw/zinc/37/25/09/796372509.db2.gz SHQWFVVMRUBPLV-VQIMIIECSA-N 2 1 317.477 2.031 20 10 DECDMP CC[N@@H+](CCN(C)C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140301102 796503838 /nfs/dbraw/zinc/50/38/38/796503838.db2.gz ZBGFJUHTZLWCLU-UHFFFAOYSA-N 2 1 318.509 2.212 20 10 DECDMP CCN(CC[NH+](C)C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140301102 796503841 /nfs/dbraw/zinc/50/38/41/796503841.db2.gz ZBGFJUHTZLWCLU-UHFFFAOYSA-N 2 1 318.509 2.212 20 10 DECDMP COC(=O)c1c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117098 800298722 /nfs/dbraw/zinc/29/87/22/800298722.db2.gz KPBFMEFJRAZQRV-ZDUSSCGKSA-N 2 1 315.417 2.278 20 10 DECDMP COC(=O)c1c(C[N@H+]2CCC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117098 800298725 /nfs/dbraw/zinc/29/87/25/800298725.db2.gz KPBFMEFJRAZQRV-ZDUSSCGKSA-N 2 1 315.417 2.278 20 10 DECDMP Cc1c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c2ccccc2n1C ZINC001205221345 800321710 /nfs/dbraw/zinc/32/17/10/800321710.db2.gz SBPQMBCCXOUQKN-GOSISDBHSA-N 2 1 301.434 2.162 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001205241697 800328635 /nfs/dbraw/zinc/32/86/35/800328635.db2.gz UUCGZKLWKIGXDG-GOSISDBHSA-N 2 1 300.402 2.221 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc2)CC1 ZINC001205273689 800334199 /nfs/dbraw/zinc/33/41/99/800334199.db2.gz OPRFWPQUCTWZQR-LJQANCHMSA-N 3 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)cc2)CC1 ZINC001205273689 800334206 /nfs/dbraw/zinc/33/42/06/800334206.db2.gz OPRFWPQUCTWZQR-LJQANCHMSA-N 2 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc2)CC1 ZINC001205273689 800334213 /nfs/dbraw/zinc/33/42/13/800334213.db2.gz OPRFWPQUCTWZQR-LJQANCHMSA-N 2 1 316.493 2.142 20 10 DECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001205725794 800408928 /nfs/dbraw/zinc/40/89/28/800408928.db2.gz LJUXAIUSSLVGIB-CQSZACIVSA-N 2 1 318.339 2.087 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828624 800428604 /nfs/dbraw/zinc/42/86/04/800428604.db2.gz MAEHRHHUNBXREZ-QAPCUYQASA-N 2 1 317.477 2.207 20 10 DECDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828624 800428606 /nfs/dbraw/zinc/42/86/06/800428606.db2.gz MAEHRHHUNBXREZ-QAPCUYQASA-N 2 1 317.477 2.207 20 10 DECDMP COc1cc(O)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Cl ZINC001232268766 801833319 /nfs/dbraw/zinc/83/33/19/801833319.db2.gz UQRUQXWTYCELBW-YPMHNXCESA-N 2 1 310.825 2.438 20 10 DECDMP COc1cc(O)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Cl ZINC001232268766 801833324 /nfs/dbraw/zinc/83/33/24/801833324.db2.gz UQRUQXWTYCELBW-YPMHNXCESA-N 2 1 310.825 2.438 20 10 DECDMP COc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001579144784 1067241669 /nfs/dbraw/zinc/24/16/69/1067241669.db2.gz QMXVPXIOHZZIOP-MFKMUULPSA-N 2 1 318.339 2.278 20 10 DECDMP CC[N@H+]1CC[C@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234658033 1084190394 /nfs/dbraw/zinc/19/03/94/1084190394.db2.gz RGQWSEVOLQUDLD-SFHVURJKSA-N 2 1 303.450 2.302 20 10 DECDMP Cc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001234982277 1084258647 /nfs/dbraw/zinc/25/86/47/1084258647.db2.gz OONBJZYHIZZVQT-HXUWFJFHSA-N 2 1 324.472 2.231 20 10 DECDMP Oc1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001234986671 1084261621 /nfs/dbraw/zinc/26/16/21/1084261621.db2.gz BPNLWGYGSNQGJX-HXUWFJFHSA-N 2 1 323.440 2.197 20 10 DECDMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976893 1084579034 /nfs/dbraw/zinc/57/90/34/1084579034.db2.gz DKZAYNCQNLKMJK-DNVCBOLYSA-N 2 1 313.445 2.014 20 10 DECDMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976893 1084579036 /nfs/dbraw/zinc/57/90/36/1084579036.db2.gz DKZAYNCQNLKMJK-DNVCBOLYSA-N 2 1 313.445 2.014 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCCC3(CC[NH2+]CC3)C1)OCO2 ZINC001118181191 1087177210 /nfs/dbraw/zinc/17/72/10/1087177210.db2.gz UTSUOMPMPGRISJ-UHFFFAOYSA-N 2 1 304.390 2.087 20 10 DECDMP CCC[N@@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932468 1138461115 /nfs/dbraw/zinc/46/11/15/1138461115.db2.gz PAYDXIBWDBRLCN-UHFFFAOYSA-N 2 1 323.456 2.436 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC(C4CC4)C3)cc2F)CC1 ZINC001324270635 1142045490 /nfs/dbraw/zinc/04/54/90/1142045490.db2.gz VVCONVYBKAATFT-UHFFFAOYSA-N 2 1 303.425 2.419 20 10 DECDMP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001324276655 1142045883 /nfs/dbraw/zinc/04/58/83/1142045883.db2.gz TWJCRCVWZBPIOW-GOSISDBHSA-N 2 1 321.440 2.092 20 10 DECDMP CC[NH+](CC)C[C@H](O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001253196932 1142852574 /nfs/dbraw/zinc/85/25/74/1142852574.db2.gz ZVZPGPIYFGMEBR-SFHVURJKSA-N 2 1 307.482 2.277 20 10 DECDMP CC[NH+](CC)C[C@H](O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001253196932 1142852576 /nfs/dbraw/zinc/85/25/76/1142852576.db2.gz ZVZPGPIYFGMEBR-SFHVURJKSA-N 2 1 307.482 2.277 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC001261601417 1144259478 /nfs/dbraw/zinc/25/94/78/1144259478.db2.gz OBRXVTMMWLQWPX-HWWDLCQESA-N 2 1 303.425 2.466 20 10 DECDMP CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308410455 1147471221 /nfs/dbraw/zinc/47/12/21/1147471221.db2.gz CJRNJMIZCUGCKL-SJLPKXTDSA-N 2 1 321.440 2.235 20 10 DECDMP COCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318348970 1147814101 /nfs/dbraw/zinc/81/41/01/1147814101.db2.gz VSZHFIQJKMLSBM-UHFFFAOYSA-N 2 1 309.429 2.092 20 10 DECDMP COCC[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325383448 1147898162 /nfs/dbraw/zinc/89/81/62/1147898162.db2.gz QNBIFDXQJAMNCF-HNNXBMFYSA-N 2 1 323.456 2.340 20 10 DECDMP Cc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(O)c1 ZINC001353605236 1151841516 /nfs/dbraw/zinc/84/15/16/1151841516.db2.gz QVPDOTDBTHWFDW-UHFFFAOYSA-N 2 1 304.434 2.434 20 10 DECDMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185345138 402345721 /nfs/dbraw/zinc/34/57/21/402345721.db2.gz BWASJZQMCQFWHE-HUUCEWRRSA-N 2 1 323.456 2.456 20 10 DECDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000362239366 403937981 /nfs/dbraw/zinc/93/79/81/403937981.db2.gz RWYOFTOACBNJFM-UONOGXRCSA-N 2 1 306.406 2.126 20 10 DECDMP CN(C)c1ccc(C[N@H+](C[C@@H](O)CN(C)C2CC2)C2CC2)cc1 ZINC000289718062 403994953 /nfs/dbraw/zinc/99/49/53/403994953.db2.gz GRLSRINRMWZDHM-IBGZPJMESA-N 2 1 317.477 2.172 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000290559457 404220441 /nfs/dbraw/zinc/22/04/41/404220441.db2.gz SGJRZQXVHYBHQO-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290559457 404220446 /nfs/dbraw/zinc/22/04/46/404220446.db2.gz SGJRZQXVHYBHQO-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000290559457 404220449 /nfs/dbraw/zinc/22/04/49/404220449.db2.gz SGJRZQXVHYBHQO-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000290559457 404220452 /nfs/dbraw/zinc/22/04/52/404220452.db2.gz SGJRZQXVHYBHQO-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(O)c1OC ZINC000894037432 636099993 /nfs/dbraw/zinc/09/99/93/636099993.db2.gz LVIKYARSPIJHPM-AWEZNQCLSA-N 2 1 308.422 2.326 20 10 DECDMP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(O)c1OC ZINC000894037432 636099995 /nfs/dbraw/zinc/09/99/95/636099995.db2.gz LVIKYARSPIJHPM-AWEZNQCLSA-N 2 1 308.422 2.326 20 10 DECDMP COCCC[NH+]1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894214930 636484238 /nfs/dbraw/zinc/48/42/38/636484238.db2.gz LCZVGYBAUNNLHO-UHFFFAOYSA-N 2 1 322.449 2.300 20 10 DECDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(O)c1OC ZINC000894497347 637069362 /nfs/dbraw/zinc/06/93/62/637069362.db2.gz XTFXBKDBSGZZOM-DZGCQCFKSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497347 637069366 /nfs/dbraw/zinc/06/93/66/637069366.db2.gz XTFXBKDBSGZZOM-DZGCQCFKSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(O)c1OC ZINC000894497347 637069371 /nfs/dbraw/zinc/06/93/71/637069371.db2.gz XTFXBKDBSGZZOM-DZGCQCFKSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(C)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000895332866 637936517 /nfs/dbraw/zinc/93/65/17/637936517.db2.gz QHVRCZHSMQLYMY-INIZCTEOSA-N 2 1 320.433 2.052 20 10 DECDMP CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000841031866 650409389 /nfs/dbraw/zinc/40/93/89/650409389.db2.gz ZPFDSFSUARVKID-PKOBYXMFSA-N 2 1 316.493 2.046 20 10 DECDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787916 640459625 /nfs/dbraw/zinc/45/96/25/640459625.db2.gz OADRMJVFLFQBCG-VQIMIIECSA-N 2 1 317.477 2.394 20 10 DECDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787916 640459628 /nfs/dbraw/zinc/45/96/28/640459628.db2.gz OADRMJVFLFQBCG-VQIMIIECSA-N 2 1 317.477 2.394 20 10 DECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000771839957 641558589 /nfs/dbraw/zinc/55/85/89/641558589.db2.gz ACPXLWIJNUSKSF-WMZOPIPTSA-N 3 1 316.493 2.011 20 10 DECDMP C[C@H]1OCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000775701385 642081605 /nfs/dbraw/zinc/08/16/05/642081605.db2.gz UPANDSCHZYYWRM-HZPDHXFCSA-N 2 1 303.450 2.048 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)[C@@H](C)O1 ZINC000783738420 643044955 /nfs/dbraw/zinc/04/49/55/643044955.db2.gz UXWQWESDYFMURL-BRWVUGGUSA-N 2 1 317.477 2.436 20 10 DECDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843113628 650897958 /nfs/dbraw/zinc/89/79/58/650897958.db2.gz ZPARFGDTAGMGEL-MRXNPFEDSA-N 2 1 303.450 2.084 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCO2 ZINC000841086260 644997663 /nfs/dbraw/zinc/99/76/63/644997663.db2.gz GSQASHFSARADGO-JSGCOSHPSA-N 2 1 304.390 2.085 20 10 DECDMP COc1ccc(N2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844221828 651096098 /nfs/dbraw/zinc/09/60/98/651096098.db2.gz MVWWDKRAEYTMPS-INIZCTEOSA-N 2 1 303.450 2.207 20 10 DECDMP COCC[NH2+]C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000844900287 651180779 /nfs/dbraw/zinc/18/07/79/651180779.db2.gz LXIRYOODCPIGJR-UHFFFAOYSA-N 2 1 305.466 2.261 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000850488090 651937639 /nfs/dbraw/zinc/93/76/39/651937639.db2.gz LBJYJDJJDPUELR-PMPSAXMXSA-N 2 1 303.450 2.346 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000850488090 651937644 /nfs/dbraw/zinc/93/76/44/651937644.db2.gz LBJYJDJJDPUELR-PMPSAXMXSA-N 2 1 303.450 2.346 20 10 DECDMP CCCOc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000873020336 689142668 /nfs/dbraw/zinc/14/26/68/689142668.db2.gz OMYWSOXJAIFYTN-QGZVFWFLSA-N 2 1 306.450 2.330 20 10 DECDMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(O)c1 ZINC000876696552 689906829 /nfs/dbraw/zinc/90/68/29/689906829.db2.gz HMKBQYJRYYPJIO-SFHVURJKSA-N 2 1 317.477 2.303 20 10 DECDMP COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001139252917 796349577 /nfs/dbraw/zinc/34/95/77/796349577.db2.gz FHBKUKPQPPONLL-XJKSGUPXSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](CCO)C2)cc(C[NH+](C)C)c1O ZINC001139258185 796350506 /nfs/dbraw/zinc/35/05/06/796350506.db2.gz MLTNWQLKINJMGT-CQSZACIVSA-N 2 1 322.449 2.057 20 10 DECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CO ZINC001139409025 796371895 /nfs/dbraw/zinc/37/18/95/796371895.db2.gz SHQWFVVMRUBPLV-APWZRJJASA-N 2 1 317.477 2.031 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@](C)(O)C3)cc2)CC1 ZINC001139408430 796373125 /nfs/dbraw/zinc/37/31/25/796373125.db2.gz LYQYIVQREJHVMN-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP CC[C@@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305563 796503489 /nfs/dbraw/zinc/50/34/89/796503489.db2.gz CHGJSCSYCXARTN-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC(=O)CC3)cc2)CC1 ZINC001140302387 796503579 /nfs/dbraw/zinc/50/35/79/796503579.db2.gz QMOUPNAEGXLHCD-UHFFFAOYSA-N 2 1 315.461 2.384 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140301998 796503623 /nfs/dbraw/zinc/50/36/23/796503623.db2.gz HBQOIIBNUTVXBD-QFBILLFUSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143287 796639041 /nfs/dbraw/zinc/63/90/41/796639041.db2.gz SKFQTHXVWLSNAQ-UHFFFAOYSA-N 2 1 303.450 2.431 20 10 DECDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143287 796639042 /nfs/dbraw/zinc/63/90/42/796639042.db2.gz SKFQTHXVWLSNAQ-UHFFFAOYSA-N 2 1 303.450 2.431 20 10 DECDMP COC(=O)c1c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117097 800298353 /nfs/dbraw/zinc/29/83/53/800298353.db2.gz KPBFMEFJRAZQRV-CYBMUJFWSA-N 2 1 315.417 2.278 20 10 DECDMP COC(=O)c1c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117097 800298359 /nfs/dbraw/zinc/29/83/59/800298359.db2.gz KPBFMEFJRAZQRV-CYBMUJFWSA-N 2 1 315.417 2.278 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001205247151 800328570 /nfs/dbraw/zinc/32/85/70/800328570.db2.gz BQLQWNISKLMPQG-SFHVURJKSA-N 2 1 300.402 2.221 20 10 DECDMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(O)c(OC)c1 ZINC001205655306 800395173 /nfs/dbraw/zinc/39/51/73/800395173.db2.gz ZDKDVJDODLFTPP-STQMWFEESA-N 2 1 308.422 2.216 20 10 DECDMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001231845015 801734835 /nfs/dbraw/zinc/73/48/35/801734835.db2.gz RVXQWVXVBCZUSR-ZWKOTPCHSA-N 2 1 317.477 2.219 20 10 DECDMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976899 1084579860 /nfs/dbraw/zinc/57/98/60/1084579860.db2.gz DKZAYNCQNLKMJK-KXBFYZLASA-N 2 1 313.445 2.014 20 10 DECDMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235976899 1084579868 /nfs/dbraw/zinc/57/98/68/1084579868.db2.gz DKZAYNCQNLKMJK-KXBFYZLASA-N 2 1 313.445 2.014 20 10 DECDMP Cc1c(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c2ccccc2n1C ZINC001236073406 1084605177 /nfs/dbraw/zinc/60/51/77/1084605177.db2.gz MTJGTNOYXUGKNR-INIZCTEOSA-N 2 1 312.461 2.094 20 10 DECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001275217499 1091620182 /nfs/dbraw/zinc/62/01/82/1091620182.db2.gz QUGKZEYBUGCIFY-KGLIPLIRSA-N 2 1 323.868 2.113 20 10 DECDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)c(OC)cc3O)C[C@@H]2C1 ZINC001236755055 1138410650 /nfs/dbraw/zinc/41/06/50/1138410650.db2.gz YHVXARMJSKYLGC-GJZGRUSLSA-N 2 1 320.433 2.183 20 10 DECDMP CSCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236948132 1138463779 /nfs/dbraw/zinc/46/37/79/1138463779.db2.gz UYSXUPDQNRKTPS-UHFFFAOYSA-N 2 1 311.470 2.372 20 10 DECDMP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676862 1138749798 /nfs/dbraw/zinc/74/97/98/1138749798.db2.gz RPEQYBZNEJTVTJ-UHFFFAOYSA-N 2 1 308.422 2.326 20 10 DECDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676862 1138749805 /nfs/dbraw/zinc/74/98/05/1138749805.db2.gz RPEQYBZNEJTVTJ-UHFFFAOYSA-N 2 1 308.422 2.326 20 10 DECDMP CCCC[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341509883 1143617827 /nfs/dbraw/zinc/61/78/27/1143617827.db2.gz QDRHOQLPSQLTLM-UHFFFAOYSA-N 2 1 323.456 2.172 20 10 DECDMP CCCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341509883 1143617847 /nfs/dbraw/zinc/61/78/47/1143617847.db2.gz QDRHOQLPSQLTLM-UHFFFAOYSA-N 2 1 323.456 2.172 20 10 DECDMP COC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341802770 1143712475 /nfs/dbraw/zinc/71/24/75/1143712475.db2.gz MLZBOENODQDXFS-UHFFFAOYSA-N 2 1 309.429 2.092 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514793 402744752 /nfs/dbraw/zinc/74/47/52/402744752.db2.gz JURIAJCXJJRZEE-ZBFHGGJFSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000174514793 402744753 /nfs/dbraw/zinc/74/47/53/402744753.db2.gz JURIAJCXJJRZEE-ZBFHGGJFSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1O ZINC000183493988 402771858 /nfs/dbraw/zinc/77/18/58/402771858.db2.gz YWTWETBHOZFLQL-HNNXBMFYSA-N 2 1 305.466 2.316 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000367752032 405143294 /nfs/dbraw/zinc/14/32/94/405143294.db2.gz FMMXFXXFEFHJCA-YXJHDRRASA-N 2 1 320.433 2.084 20 10 DECDMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377631945 534192999 /nfs/dbraw/zinc/19/29/99/534192999.db2.gz SKDNOIRVKMFRCH-GOSISDBHSA-N 2 1 317.477 2.301 20 10 DECDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccccc2O)CC1 ZINC000191571734 519680907 /nfs/dbraw/zinc/68/09/07/519680907.db2.gz RLFYZUCWIBZJQQ-UHFFFAOYSA-N 2 1 305.466 2.240 20 10 DECDMP Cc1ccc(O)c(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922386443 636152193 /nfs/dbraw/zinc/15/21/93/636152193.db2.gz HHVPQKLSKQOHIY-OQIJWPOYSA-N 2 1 318.461 2.270 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923317807 637108096 /nfs/dbraw/zinc/10/80/96/637108096.db2.gz GYHOAQZUVARWCC-GOSISDBHSA-N 2 1 317.477 2.343 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413890 637167124 /nfs/dbraw/zinc/16/71/24/637167124.db2.gz JLGJSZPFXSXZJV-IEBWSBKVSA-N 2 1 315.461 2.097 20 10 DECDMP COc1cc(Br)cc(C[NH2+]C[C@H]([NH3+])C(C)C)c1O ZINC000841031237 650409289 /nfs/dbraw/zinc/40/92/89/650409289.db2.gz ZISHVVGDLUQMRK-NSHDSACASA-N 2 1 317.227 2.236 20 10 DECDMP C[C@H]1OCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000775701387 642081490 /nfs/dbraw/zinc/08/14/90/642081490.db2.gz UPANDSCHZYYWRM-JKSUJKDBSA-N 2 1 303.450 2.048 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)[C@H](C)O1 ZINC000783738421 643044940 /nfs/dbraw/zinc/04/49/40/643044940.db2.gz UXWQWESDYFMURL-IKGGRYGDSA-N 2 1 317.477 2.436 20 10 DECDMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1O ZINC000903980634 643534648 /nfs/dbraw/zinc/53/46/48/643534648.db2.gz WDEFINFBTHNKJJ-HDICACEKSA-N 2 1 315.461 2.101 20 10 DECDMP Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1O ZINC000903980634 643534653 /nfs/dbraw/zinc/53/46/53/643534653.db2.gz WDEFINFBTHNKJJ-HDICACEKSA-N 2 1 315.461 2.101 20 10 DECDMP Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1O ZINC000903980634 643534657 /nfs/dbraw/zinc/53/46/57/643534657.db2.gz WDEFINFBTHNKJJ-HDICACEKSA-N 2 1 315.461 2.101 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904410158 643660875 /nfs/dbraw/zinc/66/08/75/643660875.db2.gz BUFDOXCVYCCXRD-GDBMZVCRSA-N 2 1 321.440 2.079 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843343861 650953500 /nfs/dbraw/zinc/95/35/00/650953500.db2.gz IJTUOKOJBFXUMY-LBPRGKRZSA-N 2 1 314.385 2.488 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000844911236 651182245 /nfs/dbraw/zinc/18/22/45/651182245.db2.gz MLVGAEVJZQFVPK-HLLBOEOZSA-N 2 1 308.397 2.392 20 10 DECDMP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846142973 651310705 /nfs/dbraw/zinc/31/07/05/651310705.db2.gz GSUATTWGEJPHCZ-CYBMUJFWSA-N 2 1 308.422 2.162 20 10 DECDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000848526373 651466903 /nfs/dbraw/zinc/46/69/03/651466903.db2.gz YCEIDTLLJPBYCZ-KRWDZBQOSA-N 2 1 304.434 2.347 20 10 DECDMP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000863544475 686519096 /nfs/dbraw/zinc/51/90/96/686519096.db2.gz VEXFSJJAFPAMDQ-SNVBAGLBSA-N 2 1 306.328 2.298 20 10 DECDMP COc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863645705 686538943 /nfs/dbraw/zinc/53/89/43/686538943.db2.gz KVFNSTWJULFRKW-YPMHNXCESA-N 2 1 318.339 2.360 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863645705 686538945 /nfs/dbraw/zinc/53/89/45/686538945.db2.gz KVFNSTWJULFRKW-YPMHNXCESA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873228636 689189649 /nfs/dbraw/zinc/18/96/49/689189649.db2.gz VCROOELIMHVLTA-VXGBXAGGSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873228636 689189650 /nfs/dbraw/zinc/18/96/50/689189650.db2.gz VCROOELIMHVLTA-VXGBXAGGSA-N 2 1 318.339 2.360 20 10 DECDMP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1c(O)cccc1F ZINC000886524208 692101063 /nfs/dbraw/zinc/10/10/63/692101063.db2.gz FYGSJFVCLVPOQH-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1c(O)cccc1F ZINC000886524208 692101066 /nfs/dbraw/zinc/10/10/66/692101066.db2.gz FYGSJFVCLVPOQH-CQSZACIVSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCOC1 ZINC001116910502 794999107 /nfs/dbraw/zinc/99/91/07/794999107.db2.gz CYSSNCUEOHNNTF-GDBMZVCRSA-N 2 1 321.440 2.092 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CF)C3)cc2F)CC1 ZINC001119450425 795303489 /nfs/dbraw/zinc/30/34/89/795303489.db2.gz IEAHDWUGOXKOFK-HNNXBMFYSA-N 2 1 309.404 2.369 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CF)C3)cc2F)CC1 ZINC001119450425 795303494 /nfs/dbraw/zinc/30/34/94/795303494.db2.gz IEAHDWUGOXKOFK-HNNXBMFYSA-N 2 1 309.404 2.369 20 10 DECDMP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1O ZINC001184387286 796052286 /nfs/dbraw/zinc/05/22/86/796052286.db2.gz IJVJVGFOGZQIEP-DDTOSNHZSA-N 2 1 310.825 2.484 20 10 DECDMP COc1cc(C[NH+]2CC3(C2)CCCOC3)cc(C[NH+](C)C)c1O ZINC001139254664 796350173 /nfs/dbraw/zinc/35/01/73/796350173.db2.gz KUUYZVFFXLEPIA-UHFFFAOYSA-N 2 1 320.433 2.075 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)cc(C[NH+](C)C)c1O ZINC001139258886 796350501 /nfs/dbraw/zinc/35/05/01/796350501.db2.gz ZIDQHYBBNNIFKL-INIZCTEOSA-N 2 1 322.449 2.463 20 10 DECDMP COc1cc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139258968 796351499 /nfs/dbraw/zinc/35/14/99/796351499.db2.gz CIURYDLGBWLLHB-QKDCVEJESA-N 2 1 308.397 2.110 20 10 DECDMP CC(C)O[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139413542 796373962 /nfs/dbraw/zinc/37/39/62/796373962.db2.gz WASVYPCFBBFBCO-IBGZPJMESA-N 2 1 317.477 2.438 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C[C@@H]3C)cc2)CC1 ZINC001140304687 796503246 /nfs/dbraw/zinc/50/32/46/796503246.db2.gz YHYSLHGDDLNPSR-LPHOPBHVSA-N 2 1 317.477 2.174 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)C[C@H]3C)cc2)CC1 ZINC001140302496 796503565 /nfs/dbraw/zinc/50/35/65/796503565.db2.gz SBOYKFVDCZPZFF-MRXNPFEDSA-N 2 1 315.461 2.382 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)C[C@H]3C)cc2)CC1 ZINC001140302496 796503567 /nfs/dbraw/zinc/50/35/67/796503567.db2.gz SBOYKFVDCZPZFF-MRXNPFEDSA-N 2 1 315.461 2.382 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC001140304688 796504154 /nfs/dbraw/zinc/50/41/54/796504154.db2.gz YHYSLHGDDLNPSR-QFBILLFUSA-N 2 1 317.477 2.174 20 10 DECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C(C)(C)C)c1O ZINC001143112622 796803240 /nfs/dbraw/zinc/80/32/40/796803240.db2.gz XRCVMCUTKOBECQ-UHFFFAOYSA-N 2 1 319.493 2.369 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001205241699 800328709 /nfs/dbraw/zinc/32/87/09/800328709.db2.gz UUCGZKLWKIGXDG-SFHVURJKSA-N 2 1 300.402 2.221 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1OC ZINC001205651123 800394010 /nfs/dbraw/zinc/39/40/10/800394010.db2.gz AGVYUQVHCLJMAP-QWHCGFSZSA-N 2 1 308.422 2.216 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205681313 800400949 /nfs/dbraw/zinc/40/09/49/800400949.db2.gz HYQSQWZKYPLJIE-MRXNPFEDSA-N 2 1 311.857 2.082 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(Cl)c1 ZINC001205681313 800400951 /nfs/dbraw/zinc/40/09/51/800400951.db2.gz HYQSQWZKYPLJIE-MRXNPFEDSA-N 2 1 311.857 2.082 20 10 DECDMP CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001331675539 1149595878 /nfs/dbraw/zinc/59/58/78/1149595878.db2.gz HZQZLJLNIUJJAR-IYBDPMFKSA-N 2 1 321.440 2.092 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(Cl)c1 ZINC001205231165 1084030109 /nfs/dbraw/zinc/03/01/09/1084030109.db2.gz XCZLTXVTGYOYTJ-MRXNPFEDSA-N 2 1 311.857 2.082 20 10 DECDMP Oc1ccccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275267540 1091645302 /nfs/dbraw/zinc/64/53/02/1091645302.db2.gz QSQWOGUPQJJMJQ-UHFFFAOYSA-N 2 1 312.417 2.213 20 10 DECDMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(O)c(O)c(OC)c3)(C1)CCC2 ZINC001275962094 1092384359 /nfs/dbraw/zinc/38/43/59/1092384359.db2.gz AFGOYCOKCOEVQI-DLBZAZTESA-N 2 1 306.406 2.261 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1(C)COC1 ZINC001236934017 1138460993 /nfs/dbraw/zinc/46/09/93/1138460993.db2.gz BRTBVUCJCSKRCO-UHFFFAOYSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@@H](CO)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323052209 1141806364 /nfs/dbraw/zinc/80/63/64/1141806364.db2.gz LKOTWXNLJJDEEE-OAHLLOKOSA-N 2 1 323.456 2.076 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1 ZINC001337791117 1142801816 /nfs/dbraw/zinc/80/18/16/1142801816.db2.gz JFNFRJGSYXIQSJ-UMVBOHGHSA-N 2 1 318.417 2.283 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)CO ZINC001261255621 1144228235 /nfs/dbraw/zinc/22/82/35/1144228235.db2.gz DAHLMIUEQCSYAS-UHFFFAOYSA-N 2 1 323.456 2.028 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)CO ZINC001261255621 1144228239 /nfs/dbraw/zinc/22/82/39/1144228239.db2.gz DAHLMIUEQCSYAS-UHFFFAOYSA-N 2 1 323.456 2.028 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC001261601418 1144259857 /nfs/dbraw/zinc/25/98/57/1144259857.db2.gz OBRXVTMMWLQWPX-JLVBRIDZSA-N 2 1 303.425 2.466 20 10 DECDMP CCC(O)(CC)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318347708 1147814372 /nfs/dbraw/zinc/81/43/72/1147814372.db2.gz AUHDBMNPGNUYIH-UHFFFAOYSA-N 2 1 323.456 2.218 20 10 DECDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179565112 402595397 /nfs/dbraw/zinc/59/53/97/402595397.db2.gz RRLGILGCRHRCCB-CALCHBBNSA-N 2 1 317.477 2.383 20 10 DECDMP CCOc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000277609762 403236243 /nfs/dbraw/zinc/23/62/43/403236243.db2.gz APCBRTXCMLVWDB-HNNXBMFYSA-N 2 1 322.449 2.381 20 10 DECDMP CCOc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000277609762 403236245 /nfs/dbraw/zinc/23/62/45/403236245.db2.gz APCBRTXCMLVWDB-HNNXBMFYSA-N 2 1 322.449 2.381 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145921 533953536 /nfs/dbraw/zinc/95/35/36/533953536.db2.gz IWIGJSKJOYBDGF-NVXWUHKLSA-N 2 1 303.450 2.096 20 10 DECDMP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285524993 535804475 /nfs/dbraw/zinc/80/44/75/535804475.db2.gz BJUCVDVYJXIZGO-CZUORRHYSA-N 2 1 309.429 2.208 20 10 DECDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000320198126 637878834 /nfs/dbraw/zinc/87/88/34/637878834.db2.gz HHLANCBZVITKSL-SFHVURJKSA-N 2 1 317.477 2.343 20 10 DECDMP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841081097 650424745 /nfs/dbraw/zinc/42/47/45/650424745.db2.gz UFKAFLUHFIAUMS-INIZCTEOSA-N 2 1 304.482 2.046 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000841088538 650427835 /nfs/dbraw/zinc/42/78/35/650427835.db2.gz ZAJBADYMVLTNGW-ZFWWWQNUSA-N 2 1 320.433 2.373 20 10 DECDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841087036 650428073 /nfs/dbraw/zinc/42/80/73/650428073.db2.gz IGQZRCPRLLFUDC-INIZCTEOSA-N 2 1 309.429 2.125 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000756414951 639660424 /nfs/dbraw/zinc/66/04/24/639660424.db2.gz ALOKRDMUQVIYHR-QEJZJMRPSA-N 2 1 318.417 2.456 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000756414951 639660426 /nfs/dbraw/zinc/66/04/26/639660426.db2.gz ALOKRDMUQVIYHR-QEJZJMRPSA-N 2 1 318.417 2.456 20 10 DECDMP Cc1cc(N)nc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH+]1 ZINC000897521093 640536984 /nfs/dbraw/zinc/53/69/84/640536984.db2.gz CCYPOQRTXFQIBJ-OAHLLOKOSA-N 2 1 314.437 2.148 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC[C@H]1O ZINC000775735929 642087883 /nfs/dbraw/zinc/08/78/83/642087883.db2.gz GKFHMGSCSJTXKZ-IEBWSBKVSA-N 2 1 317.477 2.031 20 10 DECDMP CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000779149531 642467832 /nfs/dbraw/zinc/46/78/32/642467832.db2.gz FPBBYSKPDXIOIN-LJQANCHMSA-N 2 1 317.477 2.295 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000902518699 643063157 /nfs/dbraw/zinc/06/31/57/643063157.db2.gz TZYVUBSEGGPZAM-BQFCYCMXSA-N 2 1 304.482 2.215 20 10 DECDMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519017 643063551 /nfs/dbraw/zinc/06/35/51/643063551.db2.gz WMEIVLUDUBNGIA-LZQZEXGQSA-N 2 1 318.509 2.333 20 10 DECDMP CO[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C ZINC000784668606 643162420 /nfs/dbraw/zinc/16/24/20/643162420.db2.gz RRGCFDNTWREPOW-VQIMIIECSA-N 2 1 317.477 2.295 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903768657 643454600 /nfs/dbraw/zinc/45/46/00/643454600.db2.gz OLROZKPKBURCEW-INIZCTEOSA-N 2 1 305.466 2.453 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCO2 ZINC000843045498 650876300 /nfs/dbraw/zinc/87/63/00/650876300.db2.gz SMSOCVMLLIJXJY-JSGCOSHPSA-N 2 1 304.390 2.085 20 10 DECDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000843056383 650879083 /nfs/dbraw/zinc/87/90/83/650879083.db2.gz IOVRKFPDGZEPHF-SFHVURJKSA-N 2 1 305.466 2.328 20 10 DECDMP COc1ccc(N2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843060905 650880811 /nfs/dbraw/zinc/88/08/11/650880811.db2.gz RCQQCMWRSSALJC-GOSISDBHSA-N 2 1 303.450 2.207 20 10 DECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000817865995 647369104 /nfs/dbraw/zinc/36/91/04/647369104.db2.gz ROMNJZAFYHBNHM-NUJGCVRESA-N 2 1 317.477 2.328 20 10 DECDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000817866071 647369146 /nfs/dbraw/zinc/36/91/46/647369146.db2.gz VXJKTAGGOUZGRL-DYEKYZERSA-N 2 1 308.422 2.215 20 10 DECDMP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817945069 647389681 /nfs/dbraw/zinc/38/96/81/647389681.db2.gz SPAAPNYXWKGHLR-SNVBAGLBSA-N 2 1 318.248 2.255 20 10 DECDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817961036 647395026 /nfs/dbraw/zinc/39/50/26/647395026.db2.gz TUBSBOKSPJUCSA-MLGOLLRUSA-N 2 1 307.413 2.050 20 10 DECDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965481 647395890 /nfs/dbraw/zinc/39/58/90/647395890.db2.gz RMBMMXNUDQVWEW-LRDDRELGSA-N 2 1 307.413 2.050 20 10 DECDMP COC[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCC[NH2+]1 ZINC000817975429 647398642 /nfs/dbraw/zinc/39/86/42/647398642.db2.gz UGFBTLGRVCNLEZ-CJBNDPTMSA-N 2 1 308.397 2.438 20 10 DECDMP CCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000827549537 649050113 /nfs/dbraw/zinc/05/01/13/649050113.db2.gz NDRJQBSBXWNHAR-QGZVFWFLSA-N 2 1 304.434 2.298 20 10 DECDMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000844902151 651180449 /nfs/dbraw/zinc/18/04/49/651180449.db2.gz JTVVEGSIZIULLR-JLJPHGGASA-N 2 1 320.433 2.119 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000844913063 651182714 /nfs/dbraw/zinc/18/27/14/651182714.db2.gz YFPHRALUAHFWJF-QGPMSJSTSA-N 2 1 320.433 2.262 20 10 DECDMP CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000854229978 652661768 /nfs/dbraw/zinc/66/17/68/652661768.db2.gz BYBFXUNJXMZRBS-MOPGFXCFSA-N 2 1 317.477 2.268 20 10 DECDMP CCOc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873228635 689189772 /nfs/dbraw/zinc/18/97/72/689189772.db2.gz VCROOELIMHVLTA-RYUDHWBXSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873228635 689189774 /nfs/dbraw/zinc/18/97/74/689189774.db2.gz VCROOELIMHVLTA-RYUDHWBXSA-N 2 1 318.339 2.360 20 10 DECDMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000877525364 690140753 /nfs/dbraw/zinc/14/07/53/690140753.db2.gz AMHOYLNPBNXPLQ-SFHVURJKSA-N 2 1 317.477 2.301 20 10 DECDMP Cc1nc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[nH]c1C ZINC000883283430 691471672 /nfs/dbraw/zinc/47/16/72/691471672.db2.gz FLCYZAPDKVEFEL-UHFFFAOYSA-N 2 1 313.449 2.068 20 10 DECDMP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1c(O)cccc1F ZINC000886537143 692104079 /nfs/dbraw/zinc/10/40/79/692104079.db2.gz UXPUYZUWLOQZBT-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP CC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001173353891 793693470 /nfs/dbraw/zinc/69/34/70/793693470.db2.gz RQEGJHCAMYAEQX-KRWDZBQOSA-N 2 1 303.450 2.040 20 10 DECDMP COc1cc(C[N@@H+](CCCO)C(C)C)cc(C[NH+](C)C)c1O ZINC001139256706 796350089 /nfs/dbraw/zinc/35/00/89/796350089.db2.gz HUEBSZCHQAMCPB-UHFFFAOYSA-N 2 1 310.438 2.055 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CCCO4)C3)cc2)CC1 ZINC001139409038 796372344 /nfs/dbraw/zinc/37/23/44/796372344.db2.gz SPUDQRVDZFKPAK-LJQANCHMSA-N 2 1 315.461 2.193 20 10 DECDMP C[N@H+](Cc1ccno1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410940 796373107 /nfs/dbraw/zinc/37/31/07/796373107.db2.gz MXHSEOZYAZHFFA-UHFFFAOYSA-N 2 1 300.406 2.058 20 10 DECDMP C[N@@H+](Cc1ccno1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410940 796373112 /nfs/dbraw/zinc/37/31/12/796373112.db2.gz MXHSEOZYAZHFFA-UHFFFAOYSA-N 2 1 300.406 2.058 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001205247835 800330181 /nfs/dbraw/zinc/33/01/81/800330181.db2.gz KBDAVZVTQBTCMY-AWEZNQCLSA-N 2 1 318.339 2.087 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205725190 800408528 /nfs/dbraw/zinc/40/85/28/800408528.db2.gz DBSABESADKABHG-SFHVURJKSA-N 2 1 306.450 2.365 20 10 DECDMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001205725396 800408663 /nfs/dbraw/zinc/40/86/63/800408663.db2.gz GTRUQUKUZWPKKL-CQSZACIVSA-N 2 1 318.339 2.087 20 10 DECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001205725396 800408668 /nfs/dbraw/zinc/40/86/68/800408668.db2.gz GTRUQUKUZWPKKL-CQSZACIVSA-N 2 1 318.339 2.087 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1C[NH3+] ZINC001206003870 800456191 /nfs/dbraw/zinc/45/61/91/800456191.db2.gz NCWMAPOREUFOKE-GDBMZVCRSA-N 2 1 303.450 2.322 20 10 DECDMP CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331082910 1149378278 /nfs/dbraw/zinc/37/82/78/1149378278.db2.gz HZVZLQSJSUJTTI-ZBFHGGJFSA-N 2 1 323.456 2.217 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001235051265 1084288069 /nfs/dbraw/zinc/28/80/69/1084288069.db2.gz HQFICQGEZJAODQ-FQEVSTJZSA-N 2 1 324.472 2.043 20 10 DECDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C(C)C ZINC001236934160 1138460975 /nfs/dbraw/zinc/46/09/75/1138460975.db2.gz CHLZMXVAQKJMCG-UHFFFAOYSA-N 2 1 323.456 2.434 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC(C)(C)O ZINC001236941628 1138461867 /nfs/dbraw/zinc/46/18/67/1138461867.db2.gz DZILABKDBIZALC-UHFFFAOYSA-N 2 1 323.456 2.170 20 10 DECDMP Cc1cc(F)cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC001238071501 1138819992 /nfs/dbraw/zinc/81/99/92/1138819992.db2.gz YNMJEOSSZROVOB-UHFFFAOYSA-N 2 1 321.440 2.053 20 10 DECDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001253203590 1142853595 /nfs/dbraw/zinc/85/35/95/1142853595.db2.gz IWCYZPOJTDVXMN-GOSISDBHSA-N 2 1 305.466 2.079 20 10 DECDMP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325321011 1147892462 /nfs/dbraw/zinc/89/24/62/1147892462.db2.gz SAHNCUPEZJUJMM-OAHLLOKOSA-N 3 1 322.472 2.185 20 10 DECDMP Cc1cc(O)c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1C ZINC000172935107 402680340 /nfs/dbraw/zinc/68/03/40/402680340.db2.gz QHYATQJLSSRVIF-MRXNPFEDSA-N 2 1 304.434 2.163 20 10 DECDMP COc1c(O)c(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278294428 402862427 /nfs/dbraw/zinc/86/24/27/402862427.db2.gz VCYYWFNUOQSQDT-UHFFFAOYSA-N 2 1 323.393 2.083 20 10 DECDMP COc1c(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278294428 402862428 /nfs/dbraw/zinc/86/24/28/402862428.db2.gz VCYYWFNUOQSQDT-UHFFFAOYSA-N 2 1 323.393 2.083 20 10 DECDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268801025 403115287 /nfs/dbraw/zinc/11/52/87/403115287.db2.gz BABMFRJQPZFCCN-YJBOKZPZSA-N 2 1 305.466 2.250 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)ccc1O ZINC000374900218 227141948 /nfs/dbraw/zinc/14/19/48/227141948.db2.gz URKXKCGUFATGLA-VYDXJSESSA-N 2 1 308.397 2.215 20 10 DECDMP COc1cc(O)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000182461953 522777262 /nfs/dbraw/zinc/77/72/62/522777262.db2.gz SPFYCCOTZLVQBJ-GFCCVEGCSA-N 2 1 319.405 2.340 20 10 DECDMP c1cc2c(cc1C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000922261095 636047577 /nfs/dbraw/zinc/04/75/77/636047577.db2.gz NYHIPCKCWJUKJT-SFHVURJKSA-N 2 1 316.445 2.355 20 10 DECDMP C[N@@H+](CCC[NH2+]C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000923320471 637114182 /nfs/dbraw/zinc/11/41/82/637114182.db2.gz ZMSJZIXWCVTMGS-UHFFFAOYSA-N 2 1 303.450 2.097 20 10 DECDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769471657 641246087 /nfs/dbraw/zinc/24/60/87/641246087.db2.gz XJDCIHVRFILFNQ-TZMCWYRMSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769471657 641246092 /nfs/dbraw/zinc/24/60/92/641246092.db2.gz XJDCIHVRFILFNQ-TZMCWYRMSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769471657 641246098 /nfs/dbraw/zinc/24/60/98/641246098.db2.gz XJDCIHVRFILFNQ-TZMCWYRMSA-N 2 1 306.406 2.426 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)cc1 ZINC000902464575 643048618 /nfs/dbraw/zinc/04/86/18/643048618.db2.gz AKWFXMCUVUHQQI-BMGDILEWSA-N 2 1 301.434 2.147 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000902516076 643061365 /nfs/dbraw/zinc/06/13/65/643061365.db2.gz ANMQZBAALSDEDK-SZMVWBNQSA-N 2 1 304.482 2.072 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cc1F ZINC000903740266 643450543 /nfs/dbraw/zinc/45/05/43/643450543.db2.gz FJMIDSLUOLHIOE-HNNXBMFYSA-N 2 1 321.440 2.346 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCO2 ZINC000843126625 650902341 /nfs/dbraw/zinc/90/23/41/650902341.db2.gz MDCDIUCDCKPVTM-UONOGXRCSA-N 2 1 318.417 2.333 20 10 DECDMP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000809935881 646301857 /nfs/dbraw/zinc/30/18/57/646301857.db2.gz NNBHKJDPUWYOCE-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000809935881 646301859 /nfs/dbraw/zinc/30/18/59/646301859.db2.gz NNBHKJDPUWYOCE-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000809935881 646301863 /nfs/dbraw/zinc/30/18/63/646301863.db2.gz NNBHKJDPUWYOCE-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP CC(C)[NH+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000809935881 646301867 /nfs/dbraw/zinc/30/18/67/646301867.db2.gz NNBHKJDPUWYOCE-IBGZPJMESA-N 2 1 319.493 2.418 20 10 DECDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965480 647395519 /nfs/dbraw/zinc/39/55/19/647395519.db2.gz RMBMMXNUDQVWEW-BLLLJJGKSA-N 2 1 307.413 2.050 20 10 DECDMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(N2CCOCC2)cc1 ZINC000844221411 651096195 /nfs/dbraw/zinc/09/61/95/651096195.db2.gz ZENAMIJCUTZPDH-KRWDZBQOSA-N 2 1 317.477 2.345 20 10 DECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565788 651953386 /nfs/dbraw/zinc/95/33/86/651953386.db2.gz HZZVGDAOSQHREQ-RDJZCZTQSA-N 2 1 317.477 2.220 20 10 DECDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000877031004 690002395 /nfs/dbraw/zinc/00/23/95/690002395.db2.gz LANHMZUGJVFMQR-INIZCTEOSA-N 2 1 304.434 2.434 20 10 DECDMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886595060 692123876 /nfs/dbraw/zinc/12/38/76/692123876.db2.gz ZVXWCICMPBUSMH-KBPBESRZSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCOC1 ZINC001116910505 794998395 /nfs/dbraw/zinc/99/83/95/794998395.db2.gz CYSSNCUEOHNNTF-HOCLYGCPSA-N 2 1 321.440 2.092 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@]3(CCO3)C2)cc(C[NH+](C)C)c1O ZINC001139258154 796349872 /nfs/dbraw/zinc/34/98/72/796349872.db2.gz MDCHVNNEHCQXIR-GOSISDBHSA-N 2 1 320.433 2.217 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139254126 796350574 /nfs/dbraw/zinc/35/05/74/796350574.db2.gz FBEXSQVPRWRNII-SCLBCKFNSA-N 2 1 322.449 2.055 20 10 DECDMP CC[C@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305564 796504195 /nfs/dbraw/zinc/50/41/95/796504195.db2.gz CHGJSCSYCXARTN-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205117790 800299493 /nfs/dbraw/zinc/29/94/93/800299493.db2.gz VPYQGWCUAICCMT-OAHLLOKOSA-N 2 1 323.868 2.490 20 10 DECDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205117790 800299497 /nfs/dbraw/zinc/29/94/97/800299497.db2.gz VPYQGWCUAICCMT-OAHLLOKOSA-N 2 1 323.868 2.490 20 10 DECDMP C[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1C[NH3+] ZINC001205135887 800303345 /nfs/dbraw/zinc/30/33/45/800303345.db2.gz CKCSDGIDGJATJW-XJKSGUPXSA-N 2 1 315.461 2.118 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC[C@H]1C[NH3+] ZINC001205627216 800390013 /nfs/dbraw/zinc/39/00/13/800390013.db2.gz NYDLAGCVMSXSKC-ZBFHGGJFSA-N 2 1 303.450 2.322 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1OC ZINC001206327873 800509810 /nfs/dbraw/zinc/50/98/10/800509810.db2.gz ZIUBCFXDHHUXEJ-KRWDZBQOSA-N 2 1 308.422 2.360 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208603294 801026308 /nfs/dbraw/zinc/02/63/08/801026308.db2.gz AHXGWXGEYCHJTH-MRXNPFEDSA-N 2 1 303.450 2.159 20 10 DECDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208603294 801026312 /nfs/dbraw/zinc/02/63/12/801026312.db2.gz AHXGWXGEYCHJTH-MRXNPFEDSA-N 2 1 303.450 2.159 20 10 DECDMP CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655597110 1080008147 /nfs/dbraw/zinc/00/81/47/1080008147.db2.gz KNHJHYQYLBJUHD-KBXCAEBGSA-N 2 1 323.456 2.074 20 10 DECDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c(O)c1 ZINC001236079337 1084606518 /nfs/dbraw/zinc/60/65/18/1084606518.db2.gz RLIOFYLFSLKXHM-QGZVFWFLSA-N 2 1 317.477 2.297 20 10 DECDMP COC[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930720 1138459964 /nfs/dbraw/zinc/45/99/64/1138459964.db2.gz FINLVCJXBPKWEH-KRWDZBQOSA-N 2 1 321.440 2.188 20 10 DECDMP CC(C)[N@H+]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1C ZINC001236951005 1138464443 /nfs/dbraw/zinc/46/44/43/1138464443.db2.gz SBYHHSNUQAULNU-KRWDZBQOSA-N 2 1 316.493 2.011 20 10 DECDMP CC(C)N1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1C ZINC001236951005 1138464450 /nfs/dbraw/zinc/46/44/50/1138464450.db2.gz SBYHHSNUQAULNU-KRWDZBQOSA-N 2 1 316.493 2.011 20 10 DECDMP CC(C)N1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1C ZINC001236951005 1138464461 /nfs/dbraw/zinc/46/44/61/1138464461.db2.gz SBYHHSNUQAULNU-KRWDZBQOSA-N 2 1 316.493 2.011 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCOC3)cc2F)CC1 ZINC001318471430 1140342170 /nfs/dbraw/zinc/34/21/70/1140342170.db2.gz OMMWCDJWAZLGHV-GOSISDBHSA-N 2 1 321.440 2.094 20 10 DECDMP COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001338188015 1142836642 /nfs/dbraw/zinc/83/66/42/1142836642.db2.gz QFIFSTHSEIUPQO-IYBDPMFKSA-N 2 1 321.440 2.092 20 10 DECDMP C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326452469 1148103190 /nfs/dbraw/zinc/10/31/90/1148103190.db2.gz QUGLJWJMBPHTFH-HNNXBMFYSA-N 2 1 323.456 2.218 20 10 DECDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)OCO4)CC[C@@H]21 ZINC000164614593 402465657 /nfs/dbraw/zinc/46/56/57/402465657.db2.gz LOKKOGJSWTXKRZ-OCCSQVGLSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]21 ZINC000164614593 402465660 /nfs/dbraw/zinc/46/56/60/402465660.db2.gz LOKKOGJSWTXKRZ-OCCSQVGLSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]21 ZINC000164614593 402465663 /nfs/dbraw/zinc/46/56/63/402465663.db2.gz LOKKOGJSWTXKRZ-OCCSQVGLSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)ccc1O ZINC000374900215 227141641 /nfs/dbraw/zinc/14/16/41/227141641.db2.gz URKXKCGUFATGLA-INMHGKMJSA-N 2 1 308.397 2.215 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370703909 534195956 /nfs/dbraw/zinc/19/59/56/534195956.db2.gz VHNWAAUEKXHFLR-WMZOPIPTSA-N 2 1 317.477 2.158 20 10 DECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccn(C)n1 ZINC000839191995 637815721 /nfs/dbraw/zinc/81/57/21/637815721.db2.gz RQXOQXFJHFNFHU-OAHLLOKOSA-N 2 1 313.449 2.023 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000840942477 650391576 /nfs/dbraw/zinc/39/15/76/650391576.db2.gz SPYHTIKCDODQAC-UHFFFAOYSA-N 2 1 318.509 2.177 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000841063139 650418679 /nfs/dbraw/zinc/41/86/79/650418679.db2.gz ILTPUYXBORIGQY-RDTXWAMCSA-N 2 1 303.450 2.394 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCn4cccc4C3)cc2)CC1 ZINC000896761102 638668973 /nfs/dbraw/zinc/66/89/73/638668973.db2.gz KRSRIJCGQMIKQO-UHFFFAOYSA-N 2 1 310.445 2.256 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCn4cccc4C3)cc2)CC1 ZINC000896761102 638668974 /nfs/dbraw/zinc/66/89/74/638668974.db2.gz KRSRIJCGQMIKQO-UHFFFAOYSA-N 2 1 310.445 2.256 20 10 DECDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000762555398 640438312 /nfs/dbraw/zinc/43/83/12/640438312.db2.gz IOXSIRPFRDKXCO-LJQANCHMSA-N 2 1 312.413 2.215 20 10 DECDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000762555398 640438317 /nfs/dbraw/zinc/43/83/17/640438317.db2.gz IOXSIRPFRDKXCO-LJQANCHMSA-N 2 1 312.413 2.215 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775648766 642071604 /nfs/dbraw/zinc/07/16/04/642071604.db2.gz WVPLVLDLLPXIMN-GOSISDBHSA-N 2 1 303.450 2.049 20 10 DECDMP C[N@@H+](CCOCC1CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775728368 642087025 /nfs/dbraw/zinc/08/70/25/642087025.db2.gz SBEIZDXHGMCGDW-UHFFFAOYSA-N 2 1 317.477 2.297 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)[C@@H](C)O1 ZINC000783738422 643044949 /nfs/dbraw/zinc/04/49/49/643044949.db2.gz UXWQWESDYFMURL-IXDOHACOSA-N 2 1 317.477 2.436 20 10 DECDMP C[N@H+](CCC[NH3+])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843051059 650877728 /nfs/dbraw/zinc/87/77/28/650877728.db2.gz WXNGNXCONKTZQF-UHFFFAOYSA-N 2 1 306.410 2.366 20 10 DECDMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843051059 650877730 /nfs/dbraw/zinc/87/77/30/650877730.db2.gz WXNGNXCONKTZQF-UHFFFAOYSA-N 2 1 306.410 2.366 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844903149 651181165 /nfs/dbraw/zinc/18/11/65/651181165.db2.gz TXZZSHTZFCKPET-IYOUNJFTSA-N 2 1 320.433 2.119 20 10 DECDMP C[NH+](C)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000091670135 684037678 /nfs/dbraw/zinc/03/76/78/684037678.db2.gz DUBJIHNVBOPHFU-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP Cc1cccc(O)c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000877522985 690140105 /nfs/dbraw/zinc/14/01/05/690140105.db2.gz SUWUSQSKIKROBM-UHFFFAOYSA-N 2 1 305.466 2.158 20 10 DECDMP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(O)cccc1F ZINC000886526208 692101829 /nfs/dbraw/zinc/10/18/29/692101829.db2.gz HMRIUWVNBTXBBL-KGLIPLIRSA-N 2 1 321.440 2.350 20 10 DECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206196345 793647951 /nfs/dbraw/zinc/64/79/51/793647951.db2.gz BJWOKZRFHXCDRY-RYUDHWBXSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206196345 793647957 /nfs/dbraw/zinc/64/79/57/793647957.db2.gz BJWOKZRFHXCDRY-RYUDHWBXSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(C[N@H+]2CCCC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139253170 796349167 /nfs/dbraw/zinc/34/91/67/796349167.db2.gz ONPJWHIKZBGISR-GOSISDBHSA-N 2 1 322.449 2.199 20 10 DECDMP COc1cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259017 796351171 /nfs/dbraw/zinc/35/11/71/796351171.db2.gz DVDQQXXHDGIOFO-GOEBONIOSA-N 2 1 320.433 2.073 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4cnccc4C3)cc2)CC1 ZINC001139404505 796371387 /nfs/dbraw/zinc/37/13/87/796371387.db2.gz LHCFUYHZLSOPOI-UHFFFAOYSA-N 2 1 322.456 2.392 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4[C@H](F)C3)cc2)CC1 ZINC001139408384 796372546 /nfs/dbraw/zinc/37/25/46/796372546.db2.gz LEAQATPSSMOCJN-RYQLBKOJSA-N 2 1 303.425 2.228 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)[C@H]3C)cc2)CC1 ZINC001140302144 796503716 /nfs/dbraw/zinc/50/37/16/796503716.db2.gz LGPUNGPBSNHIOJ-AEFFLSMTSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)cc2)CC1 ZINC001140306255 796504518 /nfs/dbraw/zinc/50/45/18/796504518.db2.gz QUCVSFYUDNDSIT-PKOBYXMFSA-N 2 1 315.461 2.049 20 10 DECDMP C[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC001205151344 800306269 /nfs/dbraw/zinc/30/62/69/800306269.db2.gz SSPZFVJRNVIZON-VHSXEESVSA-N 2 1 304.312 2.317 20 10 DECDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC001205151344 800306271 /nfs/dbraw/zinc/30/62/71/800306271.db2.gz SSPZFVJRNVIZON-VHSXEESVSA-N 2 1 304.312 2.317 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205249379 800329538 /nfs/dbraw/zinc/32/95/38/800329538.db2.gz XQFPUQPBOOSVQP-AWEZNQCLSA-N 2 1 319.232 2.375 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205249379 800329551 /nfs/dbraw/zinc/32/95/51/800329551.db2.gz XQFPUQPBOOSVQP-AWEZNQCLSA-N 2 1 319.232 2.375 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205274038 800334459 /nfs/dbraw/zinc/33/44/59/800334459.db2.gz SIPNZGYZQSVCHX-GOSISDBHSA-N 3 1 321.465 2.166 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205274038 800334467 /nfs/dbraw/zinc/33/44/67/800334467.db2.gz SIPNZGYZQSVCHX-GOSISDBHSA-N 3 1 321.465 2.166 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(O)c(OC)c1 ZINC001205655302 800394570 /nfs/dbraw/zinc/39/45/70/800394570.db2.gz ZDKDVJDODLFTPP-OLZOCXBDSA-N 2 1 308.422 2.216 20 10 DECDMP CC[C@@H](O)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001560350554 1075138715 /nfs/dbraw/zinc/13/87/15/1075138715.db2.gz XUMGYGMYMWZUCE-MRXNPFEDSA-N 2 1 323.456 2.218 20 10 DECDMP Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001277520143 1084014332 /nfs/dbraw/zinc/01/43/32/1084014332.db2.gz ZWKABKZRSXCTLF-IRXDYDNUSA-N 2 1 321.440 2.050 20 10 DECDMP C[C@@H]1COCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236930966 1138459626 /nfs/dbraw/zinc/45/96/26/1138459626.db2.gz HJDOGRWIPINZPN-HNNXBMFYSA-N 2 1 321.440 2.046 20 10 DECDMP C[C@H]1COCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236930973 1138460149 /nfs/dbraw/zinc/46/01/49/1138460149.db2.gz HJDOGRWIPINZPN-OAHLLOKOSA-N 2 1 321.440 2.046 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254523526 1143201883 /nfs/dbraw/zinc/20/18/83/1143201883.db2.gz OUFWZDKNYCXATD-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254523526 1143201910 /nfs/dbraw/zinc/20/19/10/1143201910.db2.gz OUFWZDKNYCXATD-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523526 1143201940 /nfs/dbraw/zinc/20/19/40/1143201940.db2.gz OUFWZDKNYCXATD-SFHVURJKSA-N 2 1 317.477 2.439 20 10 DECDMP CCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)COC1 ZINC001324676831 1147829554 /nfs/dbraw/zinc/82/95/54/1147829554.db2.gz PCJLCHHHAQIEMP-UHFFFAOYSA-N 2 1 321.440 2.094 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCCC[NH3+])cc2F)CC1 ZINC001326520189 1148125380 /nfs/dbraw/zinc/12/53/80/1148125380.db2.gz YFKJIKJYIIBTGM-UHFFFAOYSA-N 3 1 322.472 2.186 20 10 DECDMP Cc1ccc(O)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282419803 403152099 /nfs/dbraw/zinc/15/20/99/403152099.db2.gz SOWDAVLVVKSKFN-HNNXBMFYSA-N 2 1 305.466 2.377 20 10 DECDMP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297668963 404585725 /nfs/dbraw/zinc/58/57/25/404585725.db2.gz KZGFCYSYXZNXDL-INIZCTEOSA-N 2 1 304.434 2.470 20 10 DECDMP Cc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000377632600 227194113 /nfs/dbraw/zinc/19/41/13/227194113.db2.gz TXCYVMRSVXJMLG-GOSISDBHSA-N 2 1 317.477 2.301 20 10 DECDMP COCC[NH+]1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835034949 649869438 /nfs/dbraw/zinc/86/94/38/649869438.db2.gz CIVHHSQQFBKOAV-PLNGDYQASA-N 2 1 317.477 2.466 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000160453392 522773519 /nfs/dbraw/zinc/77/35/19/522773519.db2.gz LVONGKVPIYCIIE-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000160453392 522773526 /nfs/dbraw/zinc/77/35/26/522773526.db2.gz LVONGKVPIYCIIE-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000160453392 522773536 /nfs/dbraw/zinc/77/35/36/522773536.db2.gz LVONGKVPIYCIIE-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000120636572 625638806 /nfs/dbraw/zinc/63/88/06/625638806.db2.gz ZTBNVFDMBREOLD-PKOBYXMFSA-N 2 1 315.461 2.240 20 10 DECDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(O)c1OC ZINC000892106266 624784246 /nfs/dbraw/zinc/78/42/46/624784246.db2.gz UYZLKERKFNYICO-OCCSQVGLSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(O)c1OC ZINC000892106266 624784247 /nfs/dbraw/zinc/78/42/47/624784247.db2.gz UYZLKERKFNYICO-OCCSQVGLSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106266 624784248 /nfs/dbraw/zinc/78/42/48/624784248.db2.gz UYZLKERKFNYICO-OCCSQVGLSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1OC ZINC000892106266 624784249 /nfs/dbraw/zinc/78/42/49/624784249.db2.gz UYZLKERKFNYICO-OCCSQVGLSA-N 2 1 308.422 2.324 20 10 DECDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c1OC ZINC000894497107 637069228 /nfs/dbraw/zinc/06/92/28/637069228.db2.gz UHQUYQFFXNXYAZ-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c1OC ZINC000894497107 637069235 /nfs/dbraw/zinc/06/92/35/637069235.db2.gz UHQUYQFFXNXYAZ-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(O)c1OC ZINC000894497107 637069237 /nfs/dbraw/zinc/06/92/37/637069237.db2.gz UHQUYQFFXNXYAZ-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c1OC ZINC000894497107 637069238 /nfs/dbraw/zinc/06/92/38/637069238.db2.gz UHQUYQFFXNXYAZ-JSGCOSHPSA-N 2 1 308.422 2.181 20 10 DECDMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(O)c1OC ZINC000894621486 637136109 /nfs/dbraw/zinc/13/61/09/637136109.db2.gz ACEBTWCXEPADID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(O)c1OC ZINC000894621486 637136116 /nfs/dbraw/zinc/13/61/16/637136116.db2.gz ACEBTWCXEPADID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(O)c1OC ZINC000894621486 637136122 /nfs/dbraw/zinc/13/61/22/637136122.db2.gz ACEBTWCXEPADID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(O)c1OC ZINC000894621486 637136126 /nfs/dbraw/zinc/13/61/26/637136126.db2.gz ACEBTWCXEPADID-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000895150635 637673068 /nfs/dbraw/zinc/67/30/68/637673068.db2.gz BXRYTIQJVNLGIG-UHFFFAOYSA-N 2 1 305.466 2.405 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000895436387 638022604 /nfs/dbraw/zinc/02/26/04/638022604.db2.gz CXMHYGMZUJWAGG-RTBURBONSA-N 2 1 317.477 2.174 20 10 DECDMP CCCCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648037 642072085 /nfs/dbraw/zinc/07/20/85/642072085.db2.gz NKBHKGKWFQAUPF-UHFFFAOYSA-N 2 1 319.493 2.423 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCSC1 ZINC000775649872 642073024 /nfs/dbraw/zinc/07/30/24/642073024.db2.gz UJRXRNCWARSRKB-KRWDZBQOSA-N 2 1 305.491 2.376 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCO)C3)cc2)CC1 ZINC000775682670 642079359 /nfs/dbraw/zinc/07/93/59/642079359.db2.gz ZZVOLHSNMPWJOR-QGZVFWFLSA-N 2 1 317.477 2.033 20 10 DECDMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843048422 650877160 /nfs/dbraw/zinc/87/71/60/650877160.db2.gz SKYZITWMFBLWPW-HNNXBMFYSA-N 2 1 318.421 2.366 20 10 DECDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843048422 650877161 /nfs/dbraw/zinc/87/71/61/650877161.db2.gz SKYZITWMFBLWPW-HNNXBMFYSA-N 2 1 318.421 2.366 20 10 DECDMP COc1c(O)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123886 650900395 /nfs/dbraw/zinc/90/03/95/650900395.db2.gz RHCXDNJTNNFVQU-LBPRGKRZSA-N 2 1 309.366 2.012 20 10 DECDMP COc1c(O)c(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123886 650900397 /nfs/dbraw/zinc/90/03/97/650900397.db2.gz RHCXDNJTNNFVQU-LBPRGKRZSA-N 2 1 309.366 2.012 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843343860 650953550 /nfs/dbraw/zinc/95/35/50/650953550.db2.gz IJTUOKOJBFXUMY-GFCCVEGCSA-N 2 1 314.385 2.488 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCO1 ZINC000798963801 645104622 /nfs/dbraw/zinc/10/46/22/645104622.db2.gz DNNUVPURGMMPFD-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc2c1OCC2 ZINC000733329342 649544014 /nfs/dbraw/zinc/54/40/14/649544014.db2.gz QOYKEHVSUSEXGD-GOSISDBHSA-N 2 1 316.445 2.355 20 10 DECDMP COc1c(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901142 651180619 /nfs/dbraw/zinc/18/06/19/651180619.db2.gz FLDSJNHNLJGQLT-AAEUAGOBSA-N 2 1 323.393 2.258 20 10 DECDMP COc1c(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901142 651180621 /nfs/dbraw/zinc/18/06/21/651180621.db2.gz FLDSJNHNLJGQLT-AAEUAGOBSA-N 2 1 323.393 2.258 20 10 DECDMP COc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1O ZINC000846146418 651311032 /nfs/dbraw/zinc/31/10/32/651311032.db2.gz QODHKOLSWAVGRK-HUUCEWRRSA-N 2 1 322.449 2.288 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000846225247 651316299 /nfs/dbraw/zinc/31/62/99/651316299.db2.gz JZTVBODKUXVQBX-INIZCTEOSA-N 2 1 305.466 2.453 20 10 DECDMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846222679 651316422 /nfs/dbraw/zinc/31/64/22/651316422.db2.gz XMHCVTAQWOPPRM-GOSISDBHSA-N 2 1 305.466 2.079 20 10 DECDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000853623437 652580269 /nfs/dbraw/zinc/58/02/69/652580269.db2.gz HJUPNMLZCXUTAO-SFHVURJKSA-N 2 1 318.461 2.424 20 10 DECDMP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1O ZINC000873293628 689203684 /nfs/dbraw/zinc/20/36/84/689203684.db2.gz OFMKLBCBEORRNM-TZMCWYRMSA-N 2 1 308.397 2.341 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(C)(C)O)C3)cc2)CC1 ZINC000877836541 690247080 /nfs/dbraw/zinc/24/70/80/690247080.db2.gz ZTZLNFAWBIVNNI-KRWDZBQOSA-N 2 1 317.477 2.031 20 10 DECDMP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886500208 692094672 /nfs/dbraw/zinc/09/46/72/692094672.db2.gz KWOPMQKZPYIIIL-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000925702191 693326734 /nfs/dbraw/zinc/32/67/34/693326734.db2.gz AKGQNYXXQQBQOS-DAYGRLMNSA-N 2 1 303.450 2.252 20 10 DECDMP CCC[C@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001335166756 1150380761 /nfs/dbraw/zinc/38/07/61/1150380761.db2.gz ISAKCXMEWNWDQY-INIZCTEOSA-N 2 1 323.456 2.218 20 10 DECDMP CC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001173353892 793692955 /nfs/dbraw/zinc/69/29/55/793692955.db2.gz RQEGJHCAMYAEQX-QGZVFWFLSA-N 2 1 303.450 2.040 20 10 DECDMP CN(C)c1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001119517071 795315689 /nfs/dbraw/zinc/31/56/89/795315689.db2.gz NKSBANKWBKIMMR-UHFFFAOYSA-N 2 1 317.477 2.486 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255106 796350144 /nfs/dbraw/zinc/35/01/44/796350144.db2.gz NALNSXZANAVEHC-XJKSGUPXSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@@H+](C)[C@H]2CCCOC2)cc(C[NH+](C)C)c1O ZINC001139260957 796351199 /nfs/dbraw/zinc/35/11/99/796351199.db2.gz QOHABPNTTIJHRL-HNNXBMFYSA-N 2 1 308.422 2.073 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc(C[NH+](C)C)c1O ZINC001139259635 796351701 /nfs/dbraw/zinc/35/17/01/796351701.db2.gz ZNCHXIXSUAPBSO-INIZCTEOSA-N 2 1 322.449 2.198 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@]1(C)O ZINC001139409275 796373139 /nfs/dbraw/zinc/37/31/39/796373139.db2.gz YWJFQIINJFCISI-LPHOPBHVSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](COC)C3)cc2)CC1 ZINC001140302090 796503666 /nfs/dbraw/zinc/50/36/66/796503666.db2.gz JPLZEJGYCVNCPL-SFHVURJKSA-N 2 1 317.477 2.297 20 10 DECDMP Oc1c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)ccc2ccccc21 ZINC001222099697 802643670 /nfs/dbraw/zinc/64/36/70/802643670.db2.gz JMFFYPNARJQRSZ-UHFFFAOYSA-N 2 1 311.429 2.073 20 10 DECDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001330842089 1149312905 /nfs/dbraw/zinc/31/29/05/1149312905.db2.gz SXJQVVDWESROBX-GOSISDBHSA-N 2 1 319.493 2.469 20 10 DECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC001578663552 1067146160 /nfs/dbraw/zinc/14/61/60/1067146160.db2.gz DZWMJFCEPDENMV-QGZVFWFLSA-N 2 1 317.477 2.343 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOCC3)cc2F)CC1 ZINC001560418167 1075139943 /nfs/dbraw/zinc/13/99/43/1075139943.db2.gz VGWBLBKTCQQHQJ-MRXNPFEDSA-N 2 1 321.440 2.236 20 10 DECDMP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001276804888 1083623417 /nfs/dbraw/zinc/62/34/17/1083623417.db2.gz MTQOWVYLEUZISA-HDICACEKSA-N 2 1 317.477 2.165 20 10 DECDMP C[N@H+]1CCCC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1 ZINC001275113003 1091561908 /nfs/dbraw/zinc/56/19/08/1091561908.db2.gz WWINCBWIRNXOKL-UHFFFAOYSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001275276304 1091647919 /nfs/dbraw/zinc/64/79/19/1091647919.db2.gz IBUXZGMUHHKOQP-HOTGVXAUSA-N 2 1 323.868 2.256 20 10 DECDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246789975 1141062035 /nfs/dbraw/zinc/06/20/35/1141062035.db2.gz KMTNJCLWJGPRMQ-QAPCUYQASA-N 2 1 303.450 2.096 20 10 DECDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253396011 1142868212 /nfs/dbraw/zinc/86/82/12/1142868212.db2.gz RIEKLZIVZALCJW-QGZVFWFLSA-N 2 1 307.482 2.324 20 10 DECDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253396011 1142868213 /nfs/dbraw/zinc/86/82/13/1142868213.db2.gz RIEKLZIVZALCJW-QGZVFWFLSA-N 2 1 307.482 2.324 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000273504087 130129499 /nfs/dbraw/zinc/12/94/99/130129499.db2.gz QTDBLTKUXNSPEN-LBPRGKRZSA-N 2 1 304.390 2.091 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000273504087 130129501 /nfs/dbraw/zinc/12/95/01/130129501.db2.gz QTDBLTKUXNSPEN-LBPRGKRZSA-N 2 1 304.390 2.091 20 10 DECDMP COc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000282351911 403145971 /nfs/dbraw/zinc/14/59/71/403145971.db2.gz MVADPHCLKBHKIN-UHFFFAOYSA-N 2 1 305.466 2.119 20 10 DECDMP CN(C)c1ccc(/C=C/CN(CCO)C2CC[NH+](C)CC2)cc1 ZINC000835024448 649867573 /nfs/dbraw/zinc/86/75/73/649867573.db2.gz APJPCMKCUPJOEH-SNAWJCMRSA-N 2 1 317.477 2.154 20 10 DECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000266154493 521715544 /nfs/dbraw/zinc/71/55/44/521715544.db2.gz YACVHDWKOJLPFV-QFBILLFUSA-N 2 1 317.477 2.343 20 10 DECDMP COc1cc(O)c(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000160459729 522770336 /nfs/dbraw/zinc/77/03/36/522770336.db2.gz MVHQJVFLCXKJIP-UHFFFAOYSA-N 2 1 319.405 2.436 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000160459729 522770345 /nfs/dbraw/zinc/77/03/45/522770345.db2.gz MVHQJVFLCXKJIP-UHFFFAOYSA-N 2 1 319.405 2.436 20 10 DECDMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000298175865 535153396 /nfs/dbraw/zinc/15/33/96/535153396.db2.gz VSYCAGQAADOTQD-UHFFFAOYSA-N 2 1 306.406 2.426 20 10 DECDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000298175865 535153405 /nfs/dbraw/zinc/15/34/05/535153405.db2.gz VSYCAGQAADOTQD-UHFFFAOYSA-N 2 1 306.406 2.426 20 10 DECDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921690905 634757561 /nfs/dbraw/zinc/75/75/61/634757561.db2.gz QOQUWMWWMJMGOO-UHFFFAOYSA-N 2 1 317.477 2.129 20 10 DECDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3O)C2)[C@H]1C(C)C ZINC000922392863 636154640 /nfs/dbraw/zinc/15/46/40/636154640.db2.gz OIKZQYRESWDGIL-NXWXRZEISA-N 2 1 318.461 2.352 20 10 DECDMP C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840979487 650398577 /nfs/dbraw/zinc/39/85/77/650398577.db2.gz SGQPXAJSPDXFEJ-SJLPKXTDSA-N 2 1 317.477 2.031 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000770352044 641358894 /nfs/dbraw/zinc/35/88/94/641358894.db2.gz XKQFHGLOXFMXLT-DDUZABMNSA-N 2 1 320.433 2.084 20 10 DECDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779023972 642457062 /nfs/dbraw/zinc/45/70/62/642457062.db2.gz AIYRXYOONCPSIS-INIZCTEOSA-N 2 1 310.413 2.464 20 10 DECDMP CCC1([NH3+])CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000903947013 643525402 /nfs/dbraw/zinc/52/54/02/643525402.db2.gz ISROUXYVLDCXOB-UHFFFAOYSA-N 2 1 321.440 2.366 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904410159 643661303 /nfs/dbraw/zinc/66/13/03/643661303.db2.gz BUFDOXCVYCCXRD-GOEBONIOSA-N 2 1 321.440 2.079 20 10 DECDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1O ZINC000809743348 646273540 /nfs/dbraw/zinc/27/35/40/646273540.db2.gz PVBRGVJOISUMLI-UHFFFAOYSA-N 2 1 311.857 2.115 20 10 DECDMP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1c[nH+]ccc1N ZINC000817894212 647374011 /nfs/dbraw/zinc/37/40/11/647374011.db2.gz KWNIDZHJOUDMBX-CQSZACIVSA-N 2 1 312.417 2.182 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000817981363 647399651 /nfs/dbraw/zinc/39/96/51/647399651.db2.gz RLIUWYHJUJQEDV-TZMCWYRMSA-N 2 1 306.406 2.362 20 10 DECDMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185021844 649423468 /nfs/dbraw/zinc/42/34/68/649423468.db2.gz WXXRTGHQWYFKMG-UONOGXRCSA-N 2 1 309.429 2.208 20 10 DECDMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000844902154 651180591 /nfs/dbraw/zinc/18/05/91/651180591.db2.gz JTVVEGSIZIULLR-YSVLISHTSA-N 2 1 320.433 2.119 20 10 DECDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646406 686539171 /nfs/dbraw/zinc/53/91/71/686539171.db2.gz SERFQLMFWVXEKA-PWSUYJOCSA-N 2 1 306.303 2.490 20 10 DECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646406 686539174 /nfs/dbraw/zinc/53/91/74/686539174.db2.gz SERFQLMFWVXEKA-PWSUYJOCSA-N 2 1 306.303 2.490 20 10 DECDMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000876780759 689936176 /nfs/dbraw/zinc/93/61/76/689936176.db2.gz ATLMGZKROMLPIY-FUHWJXTLSA-N 2 1 317.477 2.158 20 10 DECDMP COCC[N@H+](Cc1cc(C)ccc1O)CC1CC[NH+](C)CC1 ZINC000877665086 690182998 /nfs/dbraw/zinc/18/29/98/690182998.db2.gz HBXZQSBJVHSFBC-UHFFFAOYSA-N 2 1 306.450 2.491 20 10 DECDMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886504235 692095907 /nfs/dbraw/zinc/09/59/07/692095907.db2.gz XQMFAXGVQITEDZ-KBPBESRZSA-N 2 1 309.429 2.208 20 10 DECDMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886522318 692100705 /nfs/dbraw/zinc/10/07/05/692100705.db2.gz HDTQEMWXQQMCDQ-CABCVRRESA-N 2 1 323.456 2.456 20 10 DECDMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1c(O)cccc1F ZINC000886607188 692130940 /nfs/dbraw/zinc/13/09/40/692130940.db2.gz MEPVZMAHGAYXST-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1c(O)cccc1F ZINC000886607188 692130943 /nfs/dbraw/zinc/13/09/43/692130943.db2.gz MEPVZMAHGAYXST-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000925702194 693326362 /nfs/dbraw/zinc/32/63/62/693326362.db2.gz AKGQNYXXQQBQOS-RKVPGOIHSA-N 2 1 303.450 2.252 20 10 DECDMP CC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001333091889 1149995712 /nfs/dbraw/zinc/99/57/12/1149995712.db2.gz CPYHNKQGXMWUGH-SFHVURJKSA-N 2 1 323.456 2.218 20 10 DECDMP CCCC[NH+]1CCC([N@@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144515869 790943241 /nfs/dbraw/zinc/94/32/41/790943241.db2.gz HJJDQSYNPXWVPD-UHFFFAOYSA-N 2 1 308.422 2.500 20 10 DECDMP CC[C@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1 ZINC001116763836 794985050 /nfs/dbraw/zinc/98/50/50/794985050.db2.gz OJQGSSKISVHBIU-SFHVURJKSA-N 2 1 321.440 2.236 20 10 DECDMP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)c(F)cc1O ZINC001180647087 795352210 /nfs/dbraw/zinc/35/22/10/795352210.db2.gz WFANSNWMWLHDIY-UHFFFAOYSA-N 2 1 302.365 2.118 20 10 DECDMP COc1cc(C[NH+]2CCC(C(C)=O)CC2)cc(C[NH+](C)C)c1O ZINC001139258542 796349924 /nfs/dbraw/zinc/34/99/24/796349924.db2.gz RGHZFFFVJAXWHS-UHFFFAOYSA-N 2 1 320.433 2.263 20 10 DECDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)CC(C)(C)O ZINC001139257677 796350069 /nfs/dbraw/zinc/35/00/69/796350069.db2.gz FTPBFVJYPZEVQB-UHFFFAOYSA-N 2 1 310.438 2.055 20 10 DECDMP COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139260153 796351729 /nfs/dbraw/zinc/35/17/29/796351729.db2.gz OSCPUBIKMYSZRF-CZUORRHYSA-N 2 1 322.449 2.462 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC3(C)COC3)cc2)CC1 ZINC001140304455 796503309 /nfs/dbraw/zinc/50/33/09/796503309.db2.gz QIYFMXPKKYUJRU-UHFFFAOYSA-N 2 1 317.477 2.297 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CO)cc2)CC1 ZINC001140299627 796503694 /nfs/dbraw/zinc/50/36/94/796503694.db2.gz CJFPTWZGQJOVRR-IBGZPJMESA-N 2 1 317.477 2.175 20 10 DECDMP COc1cc(C)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205788531 800421313 /nfs/dbraw/zinc/42/13/13/800421313.db2.gz OWNNZMTYOJUZGH-NSHDSACASA-N 2 1 300.349 2.125 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC001206027255 800460701 /nfs/dbraw/zinc/46/07/01/800460701.db2.gz VJPINNZJGOVOAG-OLZOCXBDSA-N 2 1 308.422 2.216 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Cl ZINC001206188858 800486547 /nfs/dbraw/zinc/48/65/47/800486547.db2.gz WBJJXNVWSPGEMN-NEPJUHHUSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Cl ZINC001206188858 800486550 /nfs/dbraw/zinc/48/65/50/800486550.db2.gz WBJJXNVWSPGEMN-NEPJUHHUSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001231854236 801739221 /nfs/dbraw/zinc/73/92/21/801739221.db2.gz CHMBBPOCWDKAQC-SFHVURJKSA-N 2 1 303.450 2.289 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001231854236 801739224 /nfs/dbraw/zinc/73/92/24/801739224.db2.gz CHMBBPOCWDKAQC-SFHVURJKSA-N 2 1 303.450 2.289 20 10 DECDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001231854236 801739229 /nfs/dbraw/zinc/73/92/29/801739229.db2.gz CHMBBPOCWDKAQC-SFHVURJKSA-N 2 1 303.450 2.289 20 10 DECDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001231854236 801739231 /nfs/dbraw/zinc/73/92/31/801739231.db2.gz CHMBBPOCWDKAQC-SFHVURJKSA-N 2 1 303.450 2.289 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)cc2F)CC1 ZINC001350709326 1151389411 /nfs/dbraw/zinc/38/94/11/1151389411.db2.gz ZQNRYGMGHAWRHN-HZPDHXFCSA-N 2 1 303.425 2.419 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)cc2F)CC1 ZINC001350709326 1151389419 /nfs/dbraw/zinc/38/94/19/1151389419.db2.gz ZQNRYGMGHAWRHN-HZPDHXFCSA-N 2 1 303.425 2.419 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205248951 1084141630 /nfs/dbraw/zinc/14/16/30/1084141630.db2.gz UOEBPBIKRDVRAB-AWEZNQCLSA-N 2 1 319.232 2.375 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205248951 1084141636 /nfs/dbraw/zinc/14/16/36/1084141636.db2.gz UOEBPBIKRDVRAB-AWEZNQCLSA-N 2 1 319.232 2.375 20 10 DECDMP CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318740743 1140396594 /nfs/dbraw/zinc/39/65/94/1140396594.db2.gz VKDQZZZIOAMCQG-GOSISDBHSA-N 2 1 323.456 2.074 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1 ZINC001337791110 1142801867 /nfs/dbraw/zinc/80/18/67/1142801867.db2.gz JFNFRJGSYXIQSJ-GZBFAFLISA-N 2 1 318.417 2.283 20 10 DECDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)c(C)cc3O)C2)CC1 ZINC000106854860 402218012 /nfs/dbraw/zinc/21/80/12/402218012.db2.gz XSDWQXXZHNHDHS-GOSISDBHSA-N 2 1 317.477 2.221 20 10 DECDMP CCOc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278039794 403281765 /nfs/dbraw/zinc/28/17/65/403281765.db2.gz XLNPQTRXQNGMEO-HNNXBMFYSA-N 2 1 322.449 2.381 20 10 DECDMP CCOc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278039794 403281767 /nfs/dbraw/zinc/28/17/67/403281767.db2.gz XLNPQTRXQNGMEO-HNNXBMFYSA-N 2 1 322.449 2.381 20 10 DECDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000366535213 404809588 /nfs/dbraw/zinc/80/95/88/404809588.db2.gz NJPVSUFZDGQRQA-LJQANCHMSA-N 2 1 315.461 2.051 20 10 DECDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000366535213 404809593 /nfs/dbraw/zinc/80/95/93/404809593.db2.gz NJPVSUFZDGQRQA-LJQANCHMSA-N 2 1 315.461 2.051 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)ccc1O ZINC000374900200 227141507 /nfs/dbraw/zinc/14/15/07/227141507.db2.gz URKXKCGUFATGLA-BFYDXBDKSA-N 2 1 308.397 2.215 20 10 DECDMP CN(C)c1ccc(/C=C\C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000835047738 649871235 /nfs/dbraw/zinc/87/12/35/649871235.db2.gz VNMKCISBOKTBHP-PLNGDYQASA-N 2 1 317.477 2.202 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)CO)cc2F)CC1 ZINC001330564928 1149197021 /nfs/dbraw/zinc/19/70/21/1149197021.db2.gz SRBKZTLIVZIASM-UHFFFAOYSA-N 2 1 323.456 2.076 20 10 DECDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(O)c1OC ZINC000894497350 637069919 /nfs/dbraw/zinc/06/99/19/637069919.db2.gz XTFXBKDBSGZZOM-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497350 637069922 /nfs/dbraw/zinc/06/99/22/637069922.db2.gz XTFXBKDBSGZZOM-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(O)c1OC ZINC000894497350 637069927 /nfs/dbraw/zinc/06/99/27/637069927.db2.gz XTFXBKDBSGZZOM-ZFWWWQNUSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(O)c1OC ZINC000895587193 638098648 /nfs/dbraw/zinc/09/86/48/638098648.db2.gz KPSZQYKSFTUMCA-ZDUSSCGKSA-N 2 1 308.422 2.231 20 10 DECDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000841100929 650431448 /nfs/dbraw/zinc/43/14/48/650431448.db2.gz OVBZAPGDVKKADS-SFHVURJKSA-N 2 1 303.450 2.227 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCO1 ZINC000761229962 640288577 /nfs/dbraw/zinc/28/85/77/640288577.db2.gz WKCNWBPCYDPNEH-GOSISDBHSA-N 2 1 303.450 2.049 20 10 DECDMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000841046002 641481148 /nfs/dbraw/zinc/48/11/48/641481148.db2.gz UFXHLQHKDLYDOH-JLSDUUJJSA-N 2 1 304.482 2.072 20 10 DECDMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701995 642081753 /nfs/dbraw/zinc/08/17/53/642081753.db2.gz KHGXOADJCAOKEA-VQIMIIECSA-N 2 1 317.477 2.174 20 10 DECDMP CO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000783603755 643025987 /nfs/dbraw/zinc/02/59/87/643025987.db2.gz XREFXNVUEKGACM-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804220 643468492 /nfs/dbraw/zinc/46/84/92/643468492.db2.gz BBHNMPAOUNIKFC-MJGOQNOKSA-N 2 1 315.461 2.227 20 10 DECDMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804220 643468496 /nfs/dbraw/zinc/46/84/96/643468496.db2.gz BBHNMPAOUNIKFC-MJGOQNOKSA-N 2 1 315.461 2.227 20 10 DECDMP CC[NH2+]CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000843055937 650879125 /nfs/dbraw/zinc/87/91/25/650879125.db2.gz SHDQJIZSOYMHAQ-UHFFFAOYSA-N 2 1 323.393 2.131 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc2)CC1 ZINC000843123645 650900380 /nfs/dbraw/zinc/90/03/80/650900380.db2.gz MCRTXWWPFROZAN-GOSISDBHSA-N 3 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cc2)CC1 ZINC000843123645 650900381 /nfs/dbraw/zinc/90/03/81/650900381.db2.gz MCRTXWWPFROZAN-GOSISDBHSA-N 2 1 316.493 2.142 20 10 DECDMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc2)CC1 ZINC000843123645 650900383 /nfs/dbraw/zinc/90/03/83/650900383.db2.gz MCRTXWWPFROZAN-GOSISDBHSA-N 2 1 316.493 2.142 20 10 DECDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2F)C[C@@H](C)O1 ZINC000817889081 647371329 /nfs/dbraw/zinc/37/13/29/647371329.db2.gz RVMDMLITTYKROF-UTJXIGIESA-N 2 1 321.440 2.409 20 10 DECDMP CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894507 647373952 /nfs/dbraw/zinc/37/39/52/647373952.db2.gz LOHXCBXKWULVEX-ROUUACIJSA-N 2 1 303.450 2.143 20 10 DECDMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817964684 647395888 /nfs/dbraw/zinc/39/58/88/647395888.db2.gz DRUIHCQGICQYNR-LBPRGKRZSA-N 2 1 309.841 2.047 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000818616401 647488901 /nfs/dbraw/zinc/48/89/01/647488901.db2.gz WDQPIVYHIUBPKL-IIDMSEBBSA-N 2 1 303.450 2.109 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000818616399 647489532 /nfs/dbraw/zinc/48/95/32/647489532.db2.gz WDQPIVYHIUBPKL-DAYGRLMNSA-N 2 1 303.450 2.109 20 10 DECDMP CCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c1 ZINC000827857245 649095086 /nfs/dbraw/zinc/09/50/86/649095086.db2.gz ZNXHZSXVWGYWAE-KRWDZBQOSA-N 2 1 322.449 2.334 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902207 651181191 /nfs/dbraw/zinc/18/11/91/651181191.db2.gz LBFLYGGKEWKJTL-JGGQBBKZSA-N 2 1 308.397 2.250 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902207 651181192 /nfs/dbraw/zinc/18/11/92/651181192.db2.gz LBFLYGGKEWKJTL-JGGQBBKZSA-N 2 1 308.397 2.250 20 10 DECDMP COc1ccc(O)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000848534438 651468245 /nfs/dbraw/zinc/46/82/45/651468245.db2.gz PSMYXUJIKJZITP-QGZVFWFLSA-N 2 1 320.433 2.134 20 10 DECDMP CCc1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000848911182 651555677 /nfs/dbraw/zinc/55/56/77/651555677.db2.gz CXSDTASAOOSRER-UHFFFAOYSA-N 2 1 307.482 2.270 20 10 DECDMP CCOc1ccc(O)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000850396643 651920903 /nfs/dbraw/zinc/92/09/03/651920903.db2.gz MLWCNGNPIPTNBV-INIZCTEOSA-N 2 1 320.433 2.134 20 10 DECDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000873224258 689188138 /nfs/dbraw/zinc/18/81/38/689188138.db2.gz YPXZRBMXXPCWHT-KRWDZBQOSA-N 2 1 306.406 2.318 20 10 DECDMP C[NH+](C)C1(C)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000931357231 694376746 /nfs/dbraw/zinc/37/67/46/694376746.db2.gz TVLWINGZXPLXMI-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3CCOCC3)cc2)CC1 ZINC001140300437 777040033 /nfs/dbraw/zinc/04/00/33/777040033.db2.gz PRBYSYWTRLONOC-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC001138494605 796226308 /nfs/dbraw/zinc/22/63/08/796226308.db2.gz ATHZWSGVQUQXMY-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC001138494605 796226315 /nfs/dbraw/zinc/22/63/15/796226315.db2.gz ATHZWSGVQUQXMY-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139254574 796350417 /nfs/dbraw/zinc/35/04/17/796350417.db2.gz ITYVAKKUVZEGHA-ACJLOTCBSA-N 2 1 322.449 2.055 20 10 DECDMP CC[N@@H+](C)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146099 796639743 /nfs/dbraw/zinc/63/97/43/796639743.db2.gz KMWNGNYGFASLEQ-UHFFFAOYSA-N 2 1 303.450 2.431 20 10 DECDMP C[N@@H+](C1CCOCC1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161746 796643265 /nfs/dbraw/zinc/64/32/65/796643265.db2.gz WRLRCYVPKKOABR-UHFFFAOYSA-N 2 1 320.433 2.173 20 10 DECDMP CN(c1cccc(CC[NH+]2CCOCC2)c1)c1cc(N)cc[nH+]1 ZINC001204366421 800209964 /nfs/dbraw/zinc/20/99/64/800209964.db2.gz UAUMWLMFMLVCAU-UHFFFAOYSA-N 2 1 312.417 2.306 20 10 DECDMP CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205760806 800415196 /nfs/dbraw/zinc/41/51/96/800415196.db2.gz CWQQPVGFGRUTIL-GFCCVEGCSA-N 2 1 300.349 2.207 20 10 DECDMP CCOc1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205760806 800415200 /nfs/dbraw/zinc/41/52/00/800415200.db2.gz CWQQPVGFGRUTIL-GFCCVEGCSA-N 2 1 300.349 2.207 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(O)c(OC)c1 ZINC001206028174 800460288 /nfs/dbraw/zinc/46/02/88/800460288.db2.gz XNGVXPXFQSBONV-STQMWFEESA-N 2 1 308.422 2.216 20 10 DECDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c1 ZINC001206336736 800511040 /nfs/dbraw/zinc/51/10/40/800511040.db2.gz OFXFJHAWTZEPHE-SFHVURJKSA-N 2 1 320.433 2.059 20 10 DECDMP CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206492589 800543485 /nfs/dbraw/zinc/54/34/85/800543485.db2.gz XZGCQMSFSWBEOO-XHDPSFHLSA-N 2 1 312.841 2.095 20 10 DECDMP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206492589 800543490 /nfs/dbraw/zinc/54/34/90/800543490.db2.gz XZGCQMSFSWBEOO-XHDPSFHLSA-N 2 1 312.841 2.095 20 10 DECDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(O)c1 ZINC001206580488 800558696 /nfs/dbraw/zinc/55/86/96/800558696.db2.gz CXLNMBJJTLDOMZ-SFHVURJKSA-N 2 1 320.433 2.059 20 10 DECDMP CCO[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001334332175 1150272600 /nfs/dbraw/zinc/27/26/00/1150272600.db2.gz JHBFOEXHXUNQMQ-INIZCTEOSA-N 2 1 321.440 2.188 20 10 DECDMP CCO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001334332175 1150272613 /nfs/dbraw/zinc/27/26/13/1150272613.db2.gz JHBFOEXHXUNQMQ-INIZCTEOSA-N 2 1 321.440 2.188 20 10 DECDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328508178 1148803766 /nfs/dbraw/zinc/80/37/66/1148803766.db2.gz WUKKSRRBJSTRNP-QGZVFWFLSA-N 3 1 322.472 2.041 20 10 DECDMP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC(F)F ZINC001580133239 1067505554 /nfs/dbraw/zinc/50/55/54/1067505554.db2.gz WGJGEDKPOOQJTE-ZDUSSCGKSA-N 2 1 315.433 2.312 20 10 DECDMP CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001560463793 1075140733 /nfs/dbraw/zinc/14/07/33/1075140733.db2.gz FZHNXLVSQWZFMO-GOSISDBHSA-N 2 1 323.456 2.074 20 10 DECDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1O ZINC001275271135 1091646880 /nfs/dbraw/zinc/64/68/80/1091646880.db2.gz JZXXGPRYEKMFJW-IYBDPMFKSA-N 2 1 323.868 2.256 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322151 1138352058 /nfs/dbraw/zinc/35/20/58/1138352058.db2.gz RJDJEQRAIHEFCU-GASCZTMLSA-N 2 1 303.450 2.193 20 10 DECDMP CCOC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320457677 1140867792 /nfs/dbraw/zinc/86/77/92/1140867792.db2.gz XECGALBKGDPXEP-AWEZNQCLSA-N 2 1 309.429 2.092 20 10 DECDMP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001324276656 1142047426 /nfs/dbraw/zinc/04/74/26/1142047426.db2.gz TWJCRCVWZBPIOW-SFHVURJKSA-N 2 1 321.440 2.092 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccoc3)cc2F)CC1 ZINC001318339436 1147813784 /nfs/dbraw/zinc/81/37/84/1147813784.db2.gz QVLSVCQSSHNNKG-UHFFFAOYSA-N 2 1 303.381 2.460 20 10 DECDMP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000093079232 193200545 /nfs/dbraw/zinc/20/05/45/193200545.db2.gz JAGQUJHQVOVZKQ-UHFFFAOYSA-N 2 1 313.401 2.426 20 10 DECDMP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(O)c1 ZINC000185367196 333207720 /nfs/dbraw/zinc/20/77/20/333207720.db2.gz QOTOEGXAVSIULT-MRXNPFEDSA-N 2 1 305.466 2.379 20 10 DECDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217049 523975898 /nfs/dbraw/zinc/97/58/98/523975898.db2.gz DZWPCUPPHUKOMR-TZMCWYRMSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217049 523975900 /nfs/dbraw/zinc/97/59/00/523975900.db2.gz DZWPCUPPHUKOMR-TZMCWYRMSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217049 523975905 /nfs/dbraw/zinc/97/59/05/523975905.db2.gz DZWPCUPPHUKOMR-TZMCWYRMSA-N 2 1 304.390 2.037 20 10 DECDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001474596025 1152556180 /nfs/dbraw/zinc/55/61/80/1152556180.db2.gz UOAQEQLFUVOITL-UHFFFAOYSA-N 2 1 310.825 2.342 20 10 DECDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001474596025 1152556182 /nfs/dbraw/zinc/55/61/82/1152556182.db2.gz UOAQEQLFUVOITL-UHFFFAOYSA-N 2 1 310.825 2.342 20 10 DECDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1OC ZINC000892608267 625190197 /nfs/dbraw/zinc/19/01/97/625190197.db2.gz OZKUGWJNYQDELO-UONOGXRCSA-N 2 1 306.406 2.126 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@H]3CCC[NH2+][C@H]3C)CC2)cc1 ZINC000841063138 650418536 /nfs/dbraw/zinc/41/85/36/650418536.db2.gz ILTPUYXBORIGQY-KSSFIOAISA-N 2 1 303.450 2.394 20 10 DECDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843050885 650877693 /nfs/dbraw/zinc/87/76/93/650877693.db2.gz AOHCGTBWKNMBNK-GOEBONIOSA-N 2 1 321.440 2.222 20 10 DECDMP COc1c(O)c(C[N@H+](C)C2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843054853 650879354 /nfs/dbraw/zinc/87/93/54/650879354.db2.gz KTFUUYSSGXAKOQ-UHFFFAOYSA-N 2 1 309.366 2.011 20 10 DECDMP COc1c(O)c(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843054853 650879358 /nfs/dbraw/zinc/87/93/58/650879358.db2.gz KTFUUYSSGXAKOQ-UHFFFAOYSA-N 2 1 309.366 2.011 20 10 DECDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC000817889082 647372076 /nfs/dbraw/zinc/37/20/76/647372076.db2.gz RVMDMLITTYKROF-UWWPHRKUSA-N 2 1 321.440 2.409 20 10 DECDMP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000817942999 647389208 /nfs/dbraw/zinc/38/92/08/647389208.db2.gz SMOKHZLRYOFGDF-MANSERQUSA-N 2 1 316.493 2.215 20 10 DECDMP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917013987 647955512 /nfs/dbraw/zinc/95/55/12/647955512.db2.gz KSNMQEQREHOCSD-IBGZPJMESA-N 2 1 319.493 2.420 20 10 DECDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917013987 647955515 /nfs/dbraw/zinc/95/55/15/647955515.db2.gz KSNMQEQREHOCSD-IBGZPJMESA-N 2 1 319.493 2.420 20 10 DECDMP CCCN(Cc1c[nH+]c(N(C)C)n1C)c1ccc(C[NH3+])cc1 ZINC000822476167 648215445 /nfs/dbraw/zinc/21/54/45/648215445.db2.gz IGNAXDCOWZRTSH-UHFFFAOYSA-N 2 1 301.438 2.361 20 10 DECDMP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185021862 649423478 /nfs/dbraw/zinc/42/34/78/649423478.db2.gz WXXRTGHQWYFKMG-ZIAGYGMSSA-N 2 1 309.429 2.208 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000844902895 651181068 /nfs/dbraw/zinc/18/10/68/651181068.db2.gz WLQUCVWGOMTDLM-TZMCWYRMSA-N 2 1 308.422 2.359 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000850488088 651937682 /nfs/dbraw/zinc/93/76/82/651937682.db2.gz LBJYJDJJDPUELR-OAGGEKHMSA-N 2 1 303.450 2.346 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000850488088 651937688 /nfs/dbraw/zinc/93/76/88/651937688.db2.gz LBJYJDJJDPUELR-OAGGEKHMSA-N 2 1 303.450 2.346 20 10 DECDMP CC[C@@H](C)[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000862387663 686289257 /nfs/dbraw/zinc/28/92/57/686289257.db2.gz POLDXCMPYKDVDK-MRXNPFEDSA-N 2 1 305.466 2.031 20 10 DECDMP COc1cccc(O)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646531 686539081 /nfs/dbraw/zinc/53/90/81/686539081.db2.gz LZGBDOHJURQUDS-JQWIXIFHSA-N 2 1 318.339 2.360 20 10 DECDMP COc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646531 686539088 /nfs/dbraw/zinc/53/90/88/686539088.db2.gz LZGBDOHJURQUDS-JQWIXIFHSA-N 2 1 318.339 2.360 20 10 DECDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000873231918 689190389 /nfs/dbraw/zinc/19/03/89/689190389.db2.gz YXHMQJHGPUEOSA-UHFFFAOYSA-N 3 1 318.509 2.389 20 10 DECDMP CN1CCN(c2ccc(C[N@H+](C)CCCCCC[NH3+])cc2)CC1 ZINC000873231918 689190392 /nfs/dbraw/zinc/19/03/92/689190392.db2.gz YXHMQJHGPUEOSA-UHFFFAOYSA-N 2 1 318.509 2.389 20 10 DECDMP CN1CCN(c2ccc(C[N@@H+](C)CCCCCC[NH3+])cc2)CC1 ZINC000873231918 689190393 /nfs/dbraw/zinc/19/03/93/689190393.db2.gz YXHMQJHGPUEOSA-UHFFFAOYSA-N 2 1 318.509 2.389 20 10 DECDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743266 690212284 /nfs/dbraw/zinc/21/22/84/690212284.db2.gz JHYIFSZVLZIWEM-HKUYNNGSSA-N 2 1 315.461 2.049 20 10 DECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743266 690212286 /nfs/dbraw/zinc/21/22/86/690212286.db2.gz JHYIFSZVLZIWEM-HKUYNNGSSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743266 690212290 /nfs/dbraw/zinc/21/22/90/690212290.db2.gz JHYIFSZVLZIWEM-HKUYNNGSSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000877743266 690212294 /nfs/dbraw/zinc/21/22/94/690212294.db2.gz JHYIFSZVLZIWEM-HKUYNNGSSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CCN(c2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)CC1 ZINC000882880515 691377501 /nfs/dbraw/zinc/37/75/01/691377501.db2.gz WPCNXEILZDLPOU-UHFFFAOYSA-N 2 1 322.416 2.322 20 10 DECDMP [NH3+][C@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1F ZINC001206153721 793271315 /nfs/dbraw/zinc/27/13/15/793271315.db2.gz FICHONHJEWIRJJ-RYUDHWBXSA-N 2 1 317.202 2.416 20 10 DECDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1F ZINC001206153721 793271325 /nfs/dbraw/zinc/27/13/25/793271325.db2.gz FICHONHJEWIRJJ-RYUDHWBXSA-N 2 1 317.202 2.416 20 10 DECDMP COc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1O ZINC001119516649 795316354 /nfs/dbraw/zinc/31/63/54/795316354.db2.gz FDEZGAVQZMSDHK-UHFFFAOYSA-N 2 1 320.433 2.134 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)cc(C[NH+](C)C)c1O ZINC001139252915 796349597 /nfs/dbraw/zinc/34/95/97/796349597.db2.gz FHBKUKPQPPONLL-CJNGLKHVSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139260151 796351813 /nfs/dbraw/zinc/35/18/13/796351813.db2.gz OSCPUBIKMYSZRF-BBRMVZONSA-N 2 1 322.449 2.462 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1=O ZINC001139404732 796371555 /nfs/dbraw/zinc/37/15/55/796371555.db2.gz YECCGKWVPBRYJY-MRXNPFEDSA-N 2 1 315.461 2.239 20 10 DECDMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001140180162 796487635 /nfs/dbraw/zinc/48/76/35/796487635.db2.gz CIXUMNYHOSQXLE-ZWKOTPCHSA-N 2 1 317.477 2.219 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](O)C3)cc2)CC1 ZINC001140302717 796503605 /nfs/dbraw/zinc/50/36/05/796503605.db2.gz YMKAZTCKHBCAJD-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162926 796642825 /nfs/dbraw/zinc/64/28/25/796642825.db2.gz LETFSIYSAZQXHZ-HNNXBMFYSA-N 2 1 300.358 2.455 20 10 DECDMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162926 796642830 /nfs/dbraw/zinc/64/28/30/796642830.db2.gz LETFSIYSAZQXHZ-HNNXBMFYSA-N 2 1 300.358 2.455 20 10 DECDMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162926 796642834 /nfs/dbraw/zinc/64/28/34/796642834.db2.gz LETFSIYSAZQXHZ-HNNXBMFYSA-N 2 1 300.358 2.455 20 10 DECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001205241542 800327096 /nfs/dbraw/zinc/32/70/96/800327096.db2.gz SORLWIVTYMENRQ-GOSISDBHSA-N 2 1 300.402 2.221 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205239475 800327993 /nfs/dbraw/zinc/32/79/93/800327993.db2.gz BZOJCXPXPBDSST-AWEZNQCLSA-N 2 1 318.339 2.087 20 10 DECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205239475 800327999 /nfs/dbraw/zinc/32/79/99/800327999.db2.gz BZOJCXPXPBDSST-AWEZNQCLSA-N 2 1 318.339 2.087 20 10 DECDMP COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001231851926 801737520 /nfs/dbraw/zinc/73/75/20/801737520.db2.gz DXMOJZDYGAIFJT-ZBFHGGJFSA-N 2 1 303.450 2.145 20 10 DECDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001231851926 801737521 /nfs/dbraw/zinc/73/75/21/801737521.db2.gz DXMOJZDYGAIFJT-ZBFHGGJFSA-N 2 1 303.450 2.145 20 10 DECDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001231851926 801737524 /nfs/dbraw/zinc/73/75/24/801737524.db2.gz DXMOJZDYGAIFJT-ZBFHGGJFSA-N 2 1 303.450 2.145 20 10 DECDMP Cc1c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c2ccccc2n1C ZINC001222497569 802695646 /nfs/dbraw/zinc/69/56/46/802695646.db2.gz PYQVKTUDXGUCDY-HKUYNNGSSA-N 2 1 312.461 2.013 20 10 DECDMP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001560700043 1075144444 /nfs/dbraw/zinc/14/44/44/1075144444.db2.gz BGUGCNWDXZTWAV-UHFFFAOYSA-N 2 1 314.376 2.213 20 10 DECDMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001660268101 1080299226 /nfs/dbraw/zinc/29/92/26/1080299226.db2.gz OHNYVGHEUSYEDY-LBPRGKRZSA-N 2 1 315.408 2.032 20 10 DECDMP c1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938968 1084569074 /nfs/dbraw/zinc/56/90/74/1084569074.db2.gz NCEWVAWZASLMBD-OALUTQOASA-N 2 1 311.473 2.427 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999606 1084587552 /nfs/dbraw/zinc/58/75/52/1084587552.db2.gz JTVRYNHYUQOGSG-VMZNBEPHSA-N 2 1 304.434 2.095 20 10 DECDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(C(C)(C)C)c1O ZINC001236082527 1084608990 /nfs/dbraw/zinc/60/89/90/1084608990.db2.gz GYLZTQPJXINETI-UHFFFAOYSA-N 2 1 305.466 2.027 20 10 DECDMP CCC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CC[NH2+]CC1 ZINC001236181726 1138338205 /nfs/dbraw/zinc/33/82/05/1138338205.db2.gz CHXURHPPKJAFAM-UHFFFAOYSA-N 3 1 316.493 2.060 20 10 DECDMP Cc1cccc(O)c1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001237495236 1138657036 /nfs/dbraw/zinc/65/70/36/1138657036.db2.gz NQBJRTVQFNKVTN-UHFFFAOYSA-N 2 1 317.477 2.160 20 10 DECDMP C[C@@H](CCO)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324379343 1142065823 /nfs/dbraw/zinc/06/58/23/1142065823.db2.gz UGJBTBLGDYEPMT-OAHLLOKOSA-N 2 1 323.456 2.076 20 10 DECDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001253203271 1142853746 /nfs/dbraw/zinc/85/37/46/1142853746.db2.gz FCCYXGNDWHFNKS-IBGZPJMESA-N 2 1 319.493 2.469 20 10 DECDMP CC[C@@](C)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001261256390 1144228313 /nfs/dbraw/zinc/22/83/13/1144228313.db2.gz FSNZJROCKYRXPM-SFHVURJKSA-N 2 1 323.456 2.482 20 10 DECDMP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326375212 1148088123 /nfs/dbraw/zinc/08/81/23/1148088123.db2.gz GJQXFHUEKNTWBG-WMLDXEAASA-N 2 1 321.440 2.092 20 10 DECDMP C[C@H](CCCCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326452470 1148103120 /nfs/dbraw/zinc/10/31/20/1148103120.db2.gz QUGLJWJMBPHTFH-OAHLLOKOSA-N 2 1 323.456 2.218 20 10 DECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151064205 402013617 /nfs/dbraw/zinc/01/36/17/402013617.db2.gz HEFOAAPBRXKJCQ-GJYPPUQNSA-N 2 1 317.477 2.342 20 10 DECDMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186605629 402447387 /nfs/dbraw/zinc/44/73/87/402447387.db2.gz YPFXRFNXLQZLCT-ZIAGYGMSSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000282242032 403135876 /nfs/dbraw/zinc/13/58/76/403135876.db2.gz JCNWXLREPIPCSY-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1O ZINC000282242032 403135880 /nfs/dbraw/zinc/13/58/80/403135880.db2.gz JCNWXLREPIPCSY-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266145923 225337353 /nfs/dbraw/zinc/33/73/53/225337353.db2.gz IWIGJSKJOYBDGF-RDJZCZTQSA-N 2 1 303.450 2.096 20 10 DECDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(O)c1OC ZINC000892226354 624856019 /nfs/dbraw/zinc/85/60/19/624856019.db2.gz GKDRMXIRSXFLSF-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c1OC ZINC000892226354 624856020 /nfs/dbraw/zinc/85/60/20/624856020.db2.gz GKDRMXIRSXFLSF-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(O)c1OC ZINC000892226354 624856021 /nfs/dbraw/zinc/85/60/21/624856021.db2.gz GKDRMXIRSXFLSF-HIFRSBDPSA-N 2 1 320.433 2.326 20 10 DECDMP CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1[O-] ZINC000923519553 637226724 /nfs/dbraw/zinc/22/67/24/637226724.db2.gz FJCALDVFWPSMQA-WCQYABFASA-N 2 1 308.809 2.290 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3CS4)cc2)CC1 ZINC000839190778 637815190 /nfs/dbraw/zinc/81/51/90/637815190.db2.gz BHKROCCJIWTQNJ-IRXDYDNUSA-N 2 1 303.475 2.128 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CSC[C@@H]4C3)cc2)CC1 ZINC000895779148 638194224 /nfs/dbraw/zinc/19/42/24/638194224.db2.gz LPUZNPVSKPVGLO-CALCHBBNSA-N 2 1 317.502 2.233 20 10 DECDMP C[C@@H]1C[C@@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000898447179 641665319 /nfs/dbraw/zinc/66/53/19/641665319.db2.gz GJHJVUHGEAEERR-HHXXYDBFSA-N 2 1 318.509 2.428 20 10 DECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000775634392 642069406 /nfs/dbraw/zinc/06/94/06/642069406.db2.gz RYPMIJUHAMZMLT-IYBDPMFKSA-N 2 1 303.450 2.048 20 10 DECDMP C[C@@H]1OCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000775701383 642080903 /nfs/dbraw/zinc/08/09/03/642080903.db2.gz UPANDSCHZYYWRM-HOTGVXAUSA-N 2 1 303.450 2.048 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000775717927 642084677 /nfs/dbraw/zinc/08/46/77/642084677.db2.gz VNFLHUVUYDYFCM-LJQANCHMSA-N 2 1 315.461 2.049 20 10 DECDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779023973 642457089 /nfs/dbraw/zinc/45/70/89/642457089.db2.gz AIYRXYOONCPSIS-MRXNPFEDSA-N 2 1 310.413 2.464 20 10 DECDMP CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843058338 650880310 /nfs/dbraw/zinc/88/03/10/650880310.db2.gz PEOMNLIELJFGRS-LJQANCHMSA-N 2 1 316.493 2.012 20 10 DECDMP CCC[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843058338 650880315 /nfs/dbraw/zinc/88/03/15/650880315.db2.gz PEOMNLIELJFGRS-LJQANCHMSA-N 2 1 316.493 2.012 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCO2 ZINC000841086262 644997548 /nfs/dbraw/zinc/99/75/48/644997548.db2.gz GSQASHFSARADGO-TZMCWYRMSA-N 2 1 304.390 2.085 20 10 DECDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000799735838 645214753 /nfs/dbraw/zinc/21/47/53/645214753.db2.gz BXKAWBYXUKHUFE-VQIMIIECSA-N 2 1 317.477 2.438 20 10 DECDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000799735835 645214868 /nfs/dbraw/zinc/21/48/68/645214868.db2.gz BXKAWBYXUKHUFE-QFBILLFUSA-N 2 1 317.477 2.438 20 10 DECDMP CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810163499 646333099 /nfs/dbraw/zinc/33/30/99/646333099.db2.gz WGLYXSUISRVXST-KRWDZBQOSA-N 2 1 318.509 2.257 20 10 DECDMP CC(C)[N@H+](C)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810163499 646333106 /nfs/dbraw/zinc/33/31/06/646333106.db2.gz WGLYXSUISRVXST-KRWDZBQOSA-N 2 1 318.509 2.257 20 10 DECDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889380 647371500 /nfs/dbraw/zinc/37/15/00/647371500.db2.gz UFABPXVTKUBPAQ-IAGOWNOFSA-N 2 1 321.440 2.412 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000817957628 647392442 /nfs/dbraw/zinc/39/24/42/647392442.db2.gz NGJNYPOGHYLVAO-OLZOCXBDSA-N 2 1 306.406 2.219 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000817966322 647395883 /nfs/dbraw/zinc/39/58/83/647395883.db2.gz LJOJJAZHYAEPFG-SJCJKPOMSA-N 2 1 306.406 2.219 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827700834 649070811 /nfs/dbraw/zinc/07/08/11/649070811.db2.gz XWLSVLDAXJQSQI-IBGZPJMESA-N 2 1 317.477 2.092 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827700834 649070817 /nfs/dbraw/zinc/07/08/17/649070817.db2.gz XWLSVLDAXJQSQI-IBGZPJMESA-N 2 1 317.477 2.092 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000844901396 651180540 /nfs/dbraw/zinc/18/05/40/651180540.db2.gz FAPFRDLZEUGROB-LESCRADOSA-N 2 1 304.434 2.419 20 10 DECDMP COc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)cc1C ZINC000853625264 652580217 /nfs/dbraw/zinc/58/02/17/652580217.db2.gz QWZCUHWHJZPPDO-INIZCTEOSA-N 2 1 322.449 2.252 20 10 DECDMP COc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)cc1C ZINC000853625264 652580219 /nfs/dbraw/zinc/58/02/19/652580219.db2.gz QWZCUHWHJZPPDO-INIZCTEOSA-N 2 1 322.449 2.252 20 10 DECDMP COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646832 686540358 /nfs/dbraw/zinc/54/03/58/686540358.db2.gz PXEZNSSDVUHWFQ-NEPJUHHUSA-N 2 1 318.339 2.360 20 10 DECDMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873009385 689139793 /nfs/dbraw/zinc/13/97/93/689139793.db2.gz KKXYPZSPMVAFEY-UHFFFAOYSA-N 2 1 314.433 2.124 20 10 DECDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000876810928 689944250 /nfs/dbraw/zinc/94/42/50/689944250.db2.gz FGQFEIZJPTUECE-JFIYKMOQSA-N 2 1 304.434 2.384 20 10 DECDMP C[C@@]1([NH3+])CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001204772391 779475354 /nfs/dbraw/zinc/47/53/54/779475354.db2.gz UYXSUTRQSIEGHQ-GOSISDBHSA-N 2 1 301.434 2.014 20 10 DECDMP C[C@@]1([NH3+])CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001204772391 779475356 /nfs/dbraw/zinc/47/53/56/779475356.db2.gz UYXSUTRQSIEGHQ-GOSISDBHSA-N 2 1 301.434 2.014 20 10 DECDMP COC[C@H]1CCC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253179 796348685 /nfs/dbraw/zinc/34/86/85/796348685.db2.gz OQLIEQRHXVFKCX-OAHLLOKOSA-N 2 1 308.422 2.073 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3CO)cc2)CC1 ZINC001140302670 796503877 /nfs/dbraw/zinc/50/38/77/796503877.db2.gz XEILTQYUYLUBKN-LPHOPBHVSA-N 2 1 317.477 2.174 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)OC[C@H]3C)cc2)CC1 ZINC001140306412 796505030 /nfs/dbraw/zinc/50/50/30/796505030.db2.gz RCJUHNQXWJIVOX-IAGOWNOFSA-N 2 1 317.477 2.438 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(O)c(OC)c1 ZINC001205590979 797350535 /nfs/dbraw/zinc/35/05/35/797350535.db2.gz ABHQKUOERQYNAD-MRXNPFEDSA-N 2 1 312.385 2.062 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205231085 800325425 /nfs/dbraw/zinc/32/54/25/800325425.db2.gz WNTDYXJWSNNWCI-GOSISDBHSA-N 2 1 306.450 2.365 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C[NH3+] ZINC001205618333 800388257 /nfs/dbraw/zinc/38/82/57/800388257.db2.gz UUETVUMSCZQRTR-WMZOPIPTSA-N 2 1 317.477 2.330 20 10 DECDMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(O)c1 ZINC001579144782 1067241527 /nfs/dbraw/zinc/24/15/27/1067241527.db2.gz QMXVPXIOHZZIOP-GXFFZTMASA-N 2 1 318.339 2.278 20 10 DECDMP CSC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657249426 1080167547 /nfs/dbraw/zinc/16/75/47/1080167547.db2.gz NWJVGRBWJHQHFJ-CYBMUJFWSA-N 2 1 311.470 2.419 20 10 DECDMP CS[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657627090 1080180700 /nfs/dbraw/zinc/18/07/00/1080180700.db2.gz IDSGFKMERDOERZ-CYBMUJFWSA-N 2 1 311.470 2.419 20 10 DECDMP Oc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702577804 1086443908 /nfs/dbraw/zinc/44/39/08/1086443908.db2.gz AYIHIWLZSPUMHE-IBGZPJMESA-N 2 1 312.413 2.119 20 10 DECDMP Oc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702577804 1086443914 /nfs/dbraw/zinc/44/39/14/1086443914.db2.gz AYIHIWLZSPUMHE-IBGZPJMESA-N 2 1 312.413 2.119 20 10 DECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001275266969 1091644820 /nfs/dbraw/zinc/64/48/20/1091644820.db2.gz HKCKZGFNVXWATJ-ALOPSCKCSA-N 2 1 320.433 2.098 20 10 DECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275266969 1091644823 /nfs/dbraw/zinc/64/48/23/1091644823.db2.gz HKCKZGFNVXWATJ-ALOPSCKCSA-N 2 1 320.433 2.098 20 10 DECDMP Cc1ccc(O)c(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001275314488 1091664652 /nfs/dbraw/zinc/66/46/52/1091664652.db2.gz MYJCRWZEWCVEFF-UHFFFAOYSA-N 2 1 317.477 2.160 20 10 DECDMP Oc1cccc2c1C[N@H+](C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC001256695733 1143863291 /nfs/dbraw/zinc/86/32/91/1143863291.db2.gz KURYEXRQVGPRCN-UHFFFAOYSA-N 2 1 316.445 2.394 20 10 DECDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000282242026 403135719 /nfs/dbraw/zinc/13/57/19/403135719.db2.gz JCNWXLREPIPCSY-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1O ZINC000282242026 403135725 /nfs/dbraw/zinc/13/57/25/403135725.db2.gz JCNWXLREPIPCSY-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378371995 534196637 /nfs/dbraw/zinc/19/66/37/534196637.db2.gz QSYNPUCCARNXNK-XYJFISCASA-N 2 1 304.434 2.384 20 10 DECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000266154489 521720971 /nfs/dbraw/zinc/72/09/71/521720971.db2.gz YACVHDWKOJLPFV-LPHOPBHVSA-N 2 1 317.477 2.343 20 10 DECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000266154485 521721143 /nfs/dbraw/zinc/72/11/43/521721143.db2.gz YACVHDWKOJLPFV-APWZRJJASA-N 2 1 317.477 2.343 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000160281235 522776192 /nfs/dbraw/zinc/77/61/92/522776192.db2.gz GJFKDWLTTTUTFK-AWEZNQCLSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000160281235 522776195 /nfs/dbraw/zinc/77/61/95/522776195.db2.gz GJFKDWLTTTUTFK-AWEZNQCLSA-N 2 1 320.433 2.327 20 10 DECDMP CN(C)c1ccc(/C=C/C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000835047739 649871486 /nfs/dbraw/zinc/87/14/86/649871486.db2.gz VNMKCISBOKTBHP-SNAWJCMRSA-N 2 1 317.477 2.202 20 10 DECDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccccc3O)C2)[C@@H]1C(C)C ZINC000922392865 636154970 /nfs/dbraw/zinc/15/49/70/636154970.db2.gz OIKZQYRESWDGIL-OQIJWPOYSA-N 2 1 318.461 2.352 20 10 DECDMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c1OC ZINC000894806436 637218765 /nfs/dbraw/zinc/21/87/65/637218765.db2.gz BEIUZFGOCNFWIK-UHFFFAOYSA-N 2 1 308.422 2.373 20 10 DECDMP Cc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O ZINC000841088134 650427705 /nfs/dbraw/zinc/42/77/05/650427705.db2.gz YPUICQYMHUWMCG-UHFFFAOYSA-N 2 1 303.450 2.007 20 10 DECDMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841096045 650429502 /nfs/dbraw/zinc/42/95/02/650429502.db2.gz RPJSEPZZAMNLCQ-OAHLLOKOSA-N 2 1 309.429 2.125 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](CO)C(C)(C)C ZINC000775734422 642086477 /nfs/dbraw/zinc/08/64/77/642086477.db2.gz OYMDDCSDWJACKO-GOSISDBHSA-N 2 1 319.493 2.277 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053183 650878478 /nfs/dbraw/zinc/87/84/78/650878478.db2.gz IVWVPERRVQDGKQ-WMZOPIPTSA-N 2 1 303.450 2.082 20 10 DECDMP CN(CCC[N@@H+](C)Cc1cc(Cl)ccc1O)CC[NH+](C)C ZINC000809788773 646283804 /nfs/dbraw/zinc/28/38/04/646283804.db2.gz VUZAYELNQRLFRH-UHFFFAOYSA-N 2 1 313.873 2.361 20 10 DECDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3O)CC2)CC1 ZINC000817413911 647289037 /nfs/dbraw/zinc/28/90/37/647289037.db2.gz LNEUDPXFOTYMNT-UHFFFAOYSA-N 2 1 317.477 2.384 20 10 DECDMP CCN1CCN(c2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2F)CC1 ZINC000817902070 647376919 /nfs/dbraw/zinc/37/69/19/647376919.db2.gz HRUFYMAAMYDCQB-GJZGRUSLSA-N 2 1 322.472 2.183 20 10 DECDMP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817945068 647389465 /nfs/dbraw/zinc/38/94/65/647389465.db2.gz SPAAPNYXWKGHLR-JTQLQIEISA-N 2 1 318.248 2.255 20 10 DECDMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000844902152 651180768 /nfs/dbraw/zinc/18/07/68/651180768.db2.gz JTVVEGSIZIULLR-LXZKKBNFSA-N 2 1 320.433 2.119 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000844911238 651182281 /nfs/dbraw/zinc/18/22/81/651182281.db2.gz MLVGAEVJZQFVPK-INMHGKMJSA-N 2 1 308.397 2.392 20 10 DECDMP CN(C)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1F ZINC000113336924 651699812 /nfs/dbraw/zinc/69/98/12/651699812.db2.gz PDJPYRACMFKUNL-UHFFFAOYSA-N 2 1 322.472 2.009 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217680 652658590 /nfs/dbraw/zinc/65/85/90/652658590.db2.gz OPLGFWJTGFLPQW-RKVPGOIHSA-N 2 1 303.450 2.394 20 10 DECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217681 652658772 /nfs/dbraw/zinc/65/87/72/652658772.db2.gz OPLGFWJTGFLPQW-RLFYNMQTSA-N 2 1 303.450 2.394 20 10 DECDMP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214426 689185639 /nfs/dbraw/zinc/18/56/39/689185639.db2.gz FJGQWPRQHBIZOF-KRWDZBQOSA-N 2 1 303.450 2.227 20 10 DECDMP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873214426 689185642 /nfs/dbraw/zinc/18/56/42/689185642.db2.gz FJGQWPRQHBIZOF-KRWDZBQOSA-N 2 1 303.450 2.227 20 10 DECDMP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886636298 692142621 /nfs/dbraw/zinc/14/26/21/692142621.db2.gz KNBZWGCBPXJHIE-KBPBESRZSA-N 2 1 311.445 2.454 20 10 DECDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(N(C)C)cc1 ZINC000925844960 693352174 /nfs/dbraw/zinc/35/21/74/693352174.db2.gz MTVKONCUOQXVMZ-QGZVFWFLSA-N 2 1 318.509 2.479 20 10 DECDMP Oc1cc(Br)ccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580888016 1184136151 /nfs/dbraw/zinc/13/61/51/1184136151.db2.gz DQKXIKZTTHZRQE-PWSUYJOCSA-N 2 1 311.223 2.196 20 10 DECDMP Oc1cc(Br)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580888016 1184136157 /nfs/dbraw/zinc/13/61/57/1184136157.db2.gz DQKXIKZTTHZRQE-PWSUYJOCSA-N 2 1 311.223 2.196 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)cc2)CC1 ZINC001139407760 796372488 /nfs/dbraw/zinc/37/24/88/796372488.db2.gz CXCZQQJADSYPLS-MJGOQNOKSA-N 2 1 315.461 2.049 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC001139408806 796372903 /nfs/dbraw/zinc/37/29/03/796372903.db2.gz RJEDOBMPDVKWMJ-MRXNPFEDSA-N 2 1 315.461 2.239 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3COC)cc2)CC1 ZINC001140299620 796503821 /nfs/dbraw/zinc/50/38/21/796503821.db2.gz CECQPRUVSWRORF-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140301997 796504137 /nfs/dbraw/zinc/50/41/37/796504137.db2.gz HBQOIIBNUTVXBD-LPHOPBHVSA-N 2 1 317.477 2.031 20 10 DECDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160219 796643199 /nfs/dbraw/zinc/64/31/99/796643199.db2.gz UGVPUEIHBUCTKQ-MRXNPFEDSA-N 2 1 320.433 2.173 20 10 DECDMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205124742 800300745 /nfs/dbraw/zinc/30/07/45/800300745.db2.gz ZHNVTEVVMNXDAE-HNNXBMFYSA-N 2 1 323.868 2.490 20 10 DECDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205124742 800300750 /nfs/dbraw/zinc/30/07/50/800300750.db2.gz ZHNVTEVVMNXDAE-HNNXBMFYSA-N 2 1 323.868 2.490 20 10 DECDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001205582162 800381325 /nfs/dbraw/zinc/38/13/25/800381325.db2.gz XEVBIJUIKISIFV-CQSZACIVSA-N 2 1 302.777 2.404 20 10 DECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001205688958 800403464 /nfs/dbraw/zinc/40/34/64/800403464.db2.gz MJOUWVPHBOGRLK-GOSISDBHSA-N 2 1 300.402 2.221 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001205996761 800455351 /nfs/dbraw/zinc/45/53/51/800455351.db2.gz YEGOSICMLZMLTG-SJLPKXTDSA-N 2 1 317.477 2.330 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC001206003398 800456969 /nfs/dbraw/zinc/45/69/69/800456969.db2.gz HNBXHLWOUQIBMK-CHWSQXEVSA-N 2 1 308.422 2.216 20 10 DECDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206173957 800483418 /nfs/dbraw/zinc/48/34/18/800483418.db2.gz KVQRRTRRSMGOBJ-CVEARBPZSA-N 2 1 309.429 2.500 20 10 DECDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206622885 800567325 /nfs/dbraw/zinc/56/73/25/800567325.db2.gz IKSICSCZECNWBP-KRWDZBQOSA-N 2 1 317.477 2.209 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(O)c1 ZINC001232840535 801969666 /nfs/dbraw/zinc/96/96/66/801969666.db2.gz ZEAPHLILBNBCRI-UHFFFAOYSA-N 2 1 303.450 2.376 20 10 DECDMP CC(C)[N@@H+](Cc1c(C[NH3+])cnn1C)Cc1ccc(N(C)C)cc1 ZINC001575689453 1066401551 /nfs/dbraw/zinc/40/15/51/1066401551.db2.gz IMQYNZSFKMNQEB-UHFFFAOYSA-N 2 1 315.465 2.355 20 10 DECDMP CC[C@H](C)[N@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657056417 1080150740 /nfs/dbraw/zinc/15/07/40/1080150740.db2.gz CQGCWDZLQCEJFC-KRWDZBQOSA-N 2 1 318.509 2.258 20 10 DECDMP CC[C@H](C)[N@@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657056417 1080150742 /nfs/dbraw/zinc/15/07/42/1080150742.db2.gz CQGCWDZLQCEJFC-KRWDZBQOSA-N 2 1 318.509 2.258 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncccc3F)cc2)CC1 ZINC001657301621 1080168923 /nfs/dbraw/zinc/16/89/23/1080168923.db2.gz LOBQZQLOFBANBM-UHFFFAOYSA-N 2 1 314.408 2.262 20 10 DECDMP CS[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657627091 1080180573 /nfs/dbraw/zinc/18/05/73/1080180573.db2.gz IDSGFKMERDOERZ-ZDUSSCGKSA-N 2 1 311.470 2.419 20 10 DECDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001319717110 1140685945 /nfs/dbraw/zinc/68/59/45/1140685945.db2.gz UQQXERJCQDSCRY-HNNXBMFYSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001319717110 1140685964 /nfs/dbraw/zinc/68/59/64/1140685964.db2.gz UQQXERJCQDSCRY-HNNXBMFYSA-N 2 1 321.440 2.188 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2F)CC1 ZINC001320916247 1140987842 /nfs/dbraw/zinc/98/78/42/1140987842.db2.gz CQEASRMADZAABY-INIZCTEOSA-N 2 1 321.440 2.094 20 10 DECDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)O ZINC001324222275 1142034078 /nfs/dbraw/zinc/03/40/78/1142034078.db2.gz NKSJZRURUZQXER-QGZVFWFLSA-N 2 1 323.456 2.217 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOC(C)(C)C)cc2F)CC1 ZINC001251730598 1142498441 /nfs/dbraw/zinc/49/84/41/1142498441.db2.gz UDSQORYAZUQVOQ-UHFFFAOYSA-N 2 1 323.456 2.482 20 10 DECDMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297847777 132036860 /nfs/dbraw/zinc/03/68/60/132036860.db2.gz SSAUIRVUYZBTSH-KRWDZBQOSA-N 2 1 317.477 2.243 20 10 DECDMP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185013791 402316663 /nfs/dbraw/zinc/31/66/63/402316663.db2.gz URMFOLXUGSXQAV-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178955299 402558940 /nfs/dbraw/zinc/55/89/40/402558940.db2.gz AHYFLXPFFDKWTP-QGZVFWFLSA-N 2 1 304.434 2.373 20 10 DECDMP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000282404667 403150176 /nfs/dbraw/zinc/15/01/76/403150176.db2.gz RWGICBZQKOKORE-HNNXBMFYSA-N 2 1 305.466 2.377 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293692123 403538940 /nfs/dbraw/zinc/53/89/40/403538940.db2.gz QSYJMSARUTULBM-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293692123 403538944 /nfs/dbraw/zinc/53/89/44/403538944.db2.gz QSYJMSARUTULBM-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000293692123 403538948 /nfs/dbraw/zinc/53/89/48/403538948.db2.gz QSYJMSARUTULBM-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000293692123 403538952 /nfs/dbraw/zinc/53/89/52/403538952.db2.gz QSYJMSARUTULBM-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000289832163 404001486 /nfs/dbraw/zinc/00/14/86/404001486.db2.gz UICMGERDGROSGF-YIONKMFJSA-N 2 1 320.433 2.466 20 10 DECDMP COc1cc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000289832163 404001512 /nfs/dbraw/zinc/00/15/12/404001512.db2.gz UICMGERDGROSGF-YIONKMFJSA-N 2 1 320.433 2.466 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000290559462 404220368 /nfs/dbraw/zinc/22/03/68/404220368.db2.gz SGJRZQXVHYBHQO-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290559462 404220372 /nfs/dbraw/zinc/22/03/72/404220372.db2.gz SGJRZQXVHYBHQO-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000290559462 404220374 /nfs/dbraw/zinc/22/03/74/404220374.db2.gz SGJRZQXVHYBHQO-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000290559462 404220378 /nfs/dbraw/zinc/22/03/78/404220378.db2.gz SGJRZQXVHYBHQO-TZMCWYRMSA-N 2 1 308.422 2.181 20 10 DECDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(O)c32)CCCO1 ZINC000296618179 274347886 /nfs/dbraw/zinc/34/78/86/274347886.db2.gz YYXYNCJQLYLCGY-GDBMZVCRSA-N 2 1 304.434 2.470 20 10 DECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000266154498 521715587 /nfs/dbraw/zinc/71/55/87/521715587.db2.gz YACVHDWKOJLPFV-VQIMIIECSA-N 2 1 317.477 2.343 20 10 DECDMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(O)c1OC ZINC000894037433 636096514 /nfs/dbraw/zinc/09/65/14/636096514.db2.gz LVIKYARSPIJHPM-CQSZACIVSA-N 2 1 308.422 2.326 20 10 DECDMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(O)c1OC ZINC000894037433 636096517 /nfs/dbraw/zinc/09/65/17/636096517.db2.gz LVIKYARSPIJHPM-CQSZACIVSA-N 2 1 308.422 2.326 20 10 DECDMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000841046003 641480676 /nfs/dbraw/zinc/48/06/76/641480676.db2.gz UFXHLQHKDLYDOH-OLMNPRSZSA-N 2 1 304.482 2.072 20 10 DECDMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519019 643063299 /nfs/dbraw/zinc/06/32/99/643063299.db2.gz WMEIVLUDUBNGIA-MNEFBYGVSA-N 2 1 318.509 2.333 20 10 DECDMP CCC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725652 643441041 /nfs/dbraw/zinc/44/10/41/643441041.db2.gz FGDCNUKIKVFTQT-WMZOPIPTSA-N 2 1 304.434 2.373 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@]3(CC[NH2+]C3)C1)OCO2 ZINC000903959877 643520113 /nfs/dbraw/zinc/52/01/13/643520113.db2.gz QOJAVKNZDLACSP-QGZVFWFLSA-N 2 1 304.390 2.087 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1CC[NH3+] ZINC000903977516 643533670 /nfs/dbraw/zinc/53/36/70/643533670.db2.gz RMMJMIZPMJLHMA-GDBMZVCRSA-N 2 1 321.440 2.079 20 10 DECDMP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903967081 643538118 /nfs/dbraw/zinc/53/81/18/643538118.db2.gz GPDNSCCMDMTWKY-PWSUYJOCSA-N 2 1 313.239 2.408 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000843044725 650875913 /nfs/dbraw/zinc/87/59/13/650875913.db2.gz GJNBIQWHYDLHJU-DZGCQCFKSA-N 2 1 320.433 2.373 20 10 DECDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000843050855 650877626 /nfs/dbraw/zinc/87/76/26/650877626.db2.gz AIDWSQGBJYEVEG-YJBOKZPZSA-N 2 1 303.450 2.082 20 10 DECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000843050855 650877627 /nfs/dbraw/zinc/87/76/27/650877627.db2.gz AIDWSQGBJYEVEG-YJBOKZPZSA-N 2 1 303.450 2.082 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CCCO)C3)cc2)CC1 ZINC000825338316 648744488 /nfs/dbraw/zinc/74/44/88/648744488.db2.gz OIZWOBGXGOPLBI-KRWDZBQOSA-N 2 1 317.477 2.033 20 10 DECDMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(N2CCOCC2)cc1 ZINC000844221412 651095813 /nfs/dbraw/zinc/09/58/13/651095813.db2.gz ZENAMIJCUTZPDH-QGZVFWFLSA-N 2 1 317.477 2.345 20 10 DECDMP CCOCc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000857783092 652176499 /nfs/dbraw/zinc/17/64/99/652176499.db2.gz SQZKEPNPGLKUPO-UHFFFAOYSA-N 2 1 303.406 2.298 20 10 DECDMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000873227234 689188850 /nfs/dbraw/zinc/18/88/50/689188850.db2.gz IFVBFVDTHSHEGF-YPMHNXCESA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000873227234 689188852 /nfs/dbraw/zinc/18/88/52/689188852.db2.gz IFVBFVDTHSHEGF-YPMHNXCESA-N 2 1 318.339 2.360 20 10 DECDMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000877031305 690002329 /nfs/dbraw/zinc/00/23/29/690002329.db2.gz POLPJDCEUKQLJA-KRWDZBQOSA-N 2 1 304.434 2.434 20 10 DECDMP CCN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000878865034 690516479 /nfs/dbraw/zinc/51/64/79/690516479.db2.gz DFKTVIGDJNLBJQ-GOSISDBHSA-N 2 1 305.466 2.031 20 10 DECDMP CCN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000878865034 690516480 /nfs/dbraw/zinc/51/64/80/690516480.db2.gz DFKTVIGDJNLBJQ-GOSISDBHSA-N 2 1 305.466 2.031 20 10 DECDMP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1c(O)cccc1F ZINC000886524207 692101262 /nfs/dbraw/zinc/10/12/62/692101262.db2.gz FYGSJFVCLVPOQH-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1c(O)cccc1F ZINC000886524207 692101266 /nfs/dbraw/zinc/10/12/66/692101266.db2.gz FYGSJFVCLVPOQH-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP [NH3+][C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1F ZINC001206153724 793272322 /nfs/dbraw/zinc/27/23/22/793272322.db2.gz FICHONHJEWIRJJ-VXGBXAGGSA-N 2 1 317.202 2.416 20 10 DECDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1F ZINC001206153724 793272329 /nfs/dbraw/zinc/27/23/29/793272329.db2.gz FICHONHJEWIRJJ-VXGBXAGGSA-N 2 1 317.202 2.416 20 10 DECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206196346 793647122 /nfs/dbraw/zinc/64/71/22/793647122.db2.gz BJWOKZRFHXCDRY-VXGBXAGGSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206196346 793647130 /nfs/dbraw/zinc/64/71/30/793647130.db2.gz BJWOKZRFHXCDRY-VXGBXAGGSA-N 2 1 302.777 2.315 20 10 DECDMP COc1cc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC001180866030 795386565 /nfs/dbraw/zinc/38/65/65/795386565.db2.gz XUCVGFWJDOERFC-OAHLLOKOSA-N 2 1 322.449 2.300 20 10 DECDMP COc1cc(C)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC001180866030 795386571 /nfs/dbraw/zinc/38/65/71/795386571.db2.gz XUCVGFWJDOERFC-OAHLLOKOSA-N 2 1 322.449 2.300 20 10 DECDMP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc(C[NH+](C)C)c1O ZINC001139259119 796351738 /nfs/dbraw/zinc/35/17/38/796351738.db2.gz IRFVCMITJVCEAU-QEJZJMRPSA-N 2 1 308.397 2.395 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001140299785 796503178 /nfs/dbraw/zinc/50/31/78/796503178.db2.gz FUPBGGSTUSUJPS-CALCHBBNSA-N 2 1 317.477 2.438 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC001140301996 796504076 /nfs/dbraw/zinc/50/40/76/796504076.db2.gz HBQOIIBNUTVXBD-APWZRJJASA-N 2 1 317.477 2.031 20 10 DECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205726856 800409980 /nfs/dbraw/zinc/40/99/80/800409980.db2.gz YNWMXCKWZDQVQF-GOSISDBHSA-N 2 1 306.450 2.365 20 10 DECDMP CC(C)(C)c1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222502729 802696325 /nfs/dbraw/zinc/69/63/25/802696325.db2.gz QZRXHYNKIYDRRH-IRXDYDNUSA-N 2 1 317.477 2.216 20 10 DECDMP CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001655597115 1080007980 /nfs/dbraw/zinc/00/79/80/1080007980.db2.gz KNHJHYQYLBJUHD-RDTXWAMCSA-N 2 1 323.456 2.074 20 10 DECDMP CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999939 1084587804 /nfs/dbraw/zinc/58/78/04/1084587804.db2.gz NNNOIMRHODPEPL-VMZNBEPHSA-N 2 1 304.434 2.095 20 10 DECDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C(C)(C)C)cc1O ZINC001236080501 1084608893 /nfs/dbraw/zinc/60/88/93/1084608893.db2.gz DLVNXSVXOLKEGL-UHFFFAOYSA-N 2 1 305.466 2.027 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001276091687 1091538546 /nfs/dbraw/zinc/53/85/46/1091538546.db2.gz XEHYVKNJVGGUSK-KRWDZBQOSA-N 2 1 306.406 2.024 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001276091687 1091538553 /nfs/dbraw/zinc/53/85/53/1091538553.db2.gz XEHYVKNJVGGUSK-KRWDZBQOSA-N 2 1 306.406 2.024 20 10 DECDMP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(O)cc1O ZINC001276091687 1091538559 /nfs/dbraw/zinc/53/85/59/1091538559.db2.gz XEHYVKNJVGGUSK-KRWDZBQOSA-N 2 1 306.406 2.024 20 10 DECDMP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(O)cc1O ZINC001276091687 1091538564 /nfs/dbraw/zinc/53/85/64/1091538564.db2.gz XEHYVKNJVGGUSK-KRWDZBQOSA-N 2 1 306.406 2.024 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc21 ZINC001237401486 1138610542 /nfs/dbraw/zinc/61/05/42/1138610542.db2.gz DBKPOESHBFZODI-HOTGVXAUSA-N 2 1 301.434 2.089 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc21 ZINC001237401486 1138610544 /nfs/dbraw/zinc/61/05/44/1138610544.db2.gz DBKPOESHBFZODI-HOTGVXAUSA-N 2 1 301.434 2.089 20 10 DECDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(O)c(OC)c1 ZINC001237673009 1138748965 /nfs/dbraw/zinc/74/89/65/1138748965.db2.gz BQCPLISJMWXYAM-UHFFFAOYSA-N 2 1 320.433 2.327 20 10 DECDMP Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001238063102 1138819146 /nfs/dbraw/zinc/81/91/46/1138819146.db2.gz ZWKABKZRSXCTLF-DLBZAZTESA-N 2 1 321.440 2.050 20 10 DECDMP COC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258359649 1143995475 /nfs/dbraw/zinc/99/54/75/1143995475.db2.gz VJXYJBOTBHOMPJ-CQSZACIVSA-N 2 1 320.433 2.288 20 10 DECDMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325929194 1148020640 /nfs/dbraw/zinc/02/06/40/1148020640.db2.gz YFQMMPQJJFSONJ-KGLIPLIRSA-N 2 1 309.429 2.091 20 10 DECDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000128300143 299292749 /nfs/dbraw/zinc/29/27/49/299292749.db2.gz KRGBSEDOAIGDAR-KRWDZBQOSA-N 2 1 318.509 2.431 20 10 DECDMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185345099 402345767 /nfs/dbraw/zinc/34/57/67/402345767.db2.gz BWASJZQMCQFWHE-CABCVRRESA-N 2 1 323.456 2.456 20 10 DECDMP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1O ZINC000185647829 402366962 /nfs/dbraw/zinc/36/69/62/402366962.db2.gz HFGXOODCOAGMON-CYBMUJFWSA-N 2 1 309.429 2.208 20 10 DECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000172957594 402680642 /nfs/dbraw/zinc/68/06/42/402680642.db2.gz ZMOBPJKSWVGDQE-CQSZACIVSA-N 2 1 318.417 2.429 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000172957594 402680643 /nfs/dbraw/zinc/68/06/43/402680643.db2.gz ZMOBPJKSWVGDQE-CQSZACIVSA-N 2 1 318.417 2.429 20 10 DECDMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1O ZINC000282484283 403155568 /nfs/dbraw/zinc/15/55/68/403155568.db2.gz XDRFQKSXTMSHPM-MRXNPFEDSA-N 2 1 305.466 2.459 20 10 DECDMP CCOc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278039801 403281714 /nfs/dbraw/zinc/28/17/14/403281714.db2.gz XLNPQTRXQNGMEO-OAHLLOKOSA-N 2 1 322.449 2.381 20 10 DECDMP CCOc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278039801 403281716 /nfs/dbraw/zinc/28/17/16/403281716.db2.gz XLNPQTRXQNGMEO-OAHLLOKOSA-N 2 1 322.449 2.381 20 10 DECDMP Cc1cc(O)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000289958694 404011984 /nfs/dbraw/zinc/01/19/84/404011984.db2.gz YHXGPSGXMNNRBC-UHFFFAOYSA-N 2 1 319.493 2.467 20 10 DECDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1O ZINC000289373557 535594645 /nfs/dbraw/zinc/59/46/45/535594645.db2.gz BMJVXJUWOOHZKJ-KRWDZBQOSA-N 2 1 305.466 2.240 20 10 DECDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000840949252 650393706 /nfs/dbraw/zinc/39/37/06/650393706.db2.gz RRXCXRASBCWJMD-UHFFFAOYSA-N 2 1 318.509 2.130 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C[NH3+] ZINC000841100824 650431453 /nfs/dbraw/zinc/43/14/53/650431453.db2.gz KZRWEXVAVGKGER-GOEBONIOSA-N 2 1 321.440 2.079 20 10 DECDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769471654 641246296 /nfs/dbraw/zinc/24/62/96/641246296.db2.gz XJDCIHVRFILFNQ-GXTWGEPZSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769471654 641246306 /nfs/dbraw/zinc/24/63/06/641246306.db2.gz XJDCIHVRFILFNQ-GXTWGEPZSA-N 2 1 306.406 2.426 20 10 DECDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769471654 641246314 /nfs/dbraw/zinc/24/63/14/641246314.db2.gz XJDCIHVRFILFNQ-GXTWGEPZSA-N 2 1 306.406 2.426 20 10 DECDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000775661607 642074405 /nfs/dbraw/zinc/07/44/05/642074405.db2.gz ONRGMTHWTOBKLJ-APWZRJJASA-N 2 1 317.477 2.438 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904376401 643653989 /nfs/dbraw/zinc/65/39/89/643653989.db2.gz RCAAWYWIWCVYCD-SFHVURJKSA-N 2 1 305.466 2.453 20 10 DECDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843056016 650879229 /nfs/dbraw/zinc/87/92/29/650879229.db2.gz CEMLRNCZRSCJCN-IBGZPJMESA-N 3 1 318.509 2.244 20 10 DECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120156 650899543 /nfs/dbraw/zinc/89/95/43/650899543.db2.gz DHZDMRSCPCNFAD-UHFFFAOYSA-N 2 1 315.461 2.099 20 10 DECDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(F)ccc1O ZINC000809738537 646271824 /nfs/dbraw/zinc/27/18/24/646271824.db2.gz YRLDIVRDFHOZSC-KRWDZBQOSA-N 2 1 323.456 2.379 20 10 DECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000817865997 647369182 /nfs/dbraw/zinc/36/91/82/647369182.db2.gz ROMNJZAFYHBNHM-SOLBZPMBSA-N 2 1 317.477 2.328 20 10 DECDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889379 647371619 /nfs/dbraw/zinc/37/16/19/647371619.db2.gz UFABPXVTKUBPAQ-DLBZAZTESA-N 2 1 321.440 2.412 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000817957629 647392920 /nfs/dbraw/zinc/39/29/20/647392920.db2.gz NGJNYPOGHYLVAO-QWHCGFSZSA-N 2 1 306.406 2.219 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](C)CC3)C2)cc1 ZINC000818222268 647435932 /nfs/dbraw/zinc/43/59/32/647435932.db2.gz WAFXOMNXTIEKPI-OAHLLOKOSA-N 2 1 303.450 2.205 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000819377319 647647175 /nfs/dbraw/zinc/64/71/75/647647175.db2.gz PKNGYTYUGOQBOG-DNVCBOLYSA-N 2 1 319.493 2.037 20 10 DECDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819377319 647647178 /nfs/dbraw/zinc/64/71/78/647647178.db2.gz PKNGYTYUGOQBOG-DNVCBOLYSA-N 2 1 319.493 2.037 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000827370853 649025252 /nfs/dbraw/zinc/02/52/52/649025252.db2.gz LGGNJEQBRBDQMW-SJORKVTESA-N 2 1 317.477 2.438 20 10 DECDMP COc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1O ZINC000846146419 651311049 /nfs/dbraw/zinc/31/10/49/651311049.db2.gz QODHKOLSWAVGRK-LSDHHAIUSA-N 2 1 322.449 2.288 20 10 DECDMP COc1c(O)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000872254247 688965379 /nfs/dbraw/zinc/96/53/79/688965379.db2.gz XOABALVISGHYMW-LBPRGKRZSA-N 2 1 323.393 2.177 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873269053 689198849 /nfs/dbraw/zinc/19/88/49/689198849.db2.gz KKCBLBPZSRUWEQ-VXGBXAGGSA-N 2 1 306.406 2.218 20 10 DECDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877027013 690001075 /nfs/dbraw/zinc/00/10/75/690001075.db2.gz IPIJSNTVYSWPKQ-KRWDZBQOSA-N 2 1 317.477 2.079 20 10 DECDMP COCC[N@H+](Cc1c(O)cccc1OC)CC1CC[NH+](C)CC1 ZINC000877665022 690182537 /nfs/dbraw/zinc/18/25/37/690182537.db2.gz CWASYHSLBLXUEG-UHFFFAOYSA-N 2 1 322.449 2.191 20 10 DECDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743272 690212193 /nfs/dbraw/zinc/21/21/93/690212193.db2.gz JHYIFSZVLZIWEM-PKOBYXMFSA-N 2 1 315.461 2.049 20 10 DECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743272 690212196 /nfs/dbraw/zinc/21/21/96/690212196.db2.gz JHYIFSZVLZIWEM-PKOBYXMFSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743272 690212200 /nfs/dbraw/zinc/21/22/00/690212200.db2.gz JHYIFSZVLZIWEM-PKOBYXMFSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743272 690212202 /nfs/dbraw/zinc/21/22/02/690212202.db2.gz JHYIFSZVLZIWEM-PKOBYXMFSA-N 2 1 315.461 2.049 20 10 DECDMP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886502937 692094999 /nfs/dbraw/zinc/09/49/99/692094999.db2.gz USDZFAJSQFQVAV-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1c(O)cccc1F ZINC000886537144 692104218 /nfs/dbraw/zinc/10/42/18/692104218.db2.gz UXPUYZUWLOQZBT-ZDUSSCGKSA-N 2 1 309.429 2.208 20 10 DECDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925846625 693352778 /nfs/dbraw/zinc/35/27/78/693352778.db2.gz WDBPGNROUSWIJT-MRXNPFEDSA-N 2 1 305.466 2.427 20 10 DECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152202 785064500 /nfs/dbraw/zinc/06/45/00/785064500.db2.gz AKUHLOKDRLMEKK-ZSHCYNCHSA-N 2 1 302.418 2.471 20 10 DECDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152202 785064508 /nfs/dbraw/zinc/06/45/08/785064508.db2.gz AKUHLOKDRLMEKK-ZSHCYNCHSA-N 2 1 302.418 2.471 20 10 DECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152202 785064517 /nfs/dbraw/zinc/06/45/17/785064517.db2.gz AKUHLOKDRLMEKK-ZSHCYNCHSA-N 2 1 302.418 2.471 20 10 DECDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152202 785064527 /nfs/dbraw/zinc/06/45/27/785064527.db2.gz AKUHLOKDRLMEKK-ZSHCYNCHSA-N 2 1 302.418 2.471 20 10 DECDMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117137716 795027669 /nfs/dbraw/zinc/02/76/69/795027669.db2.gz MPVMLAIDJBXFDS-CJNGLKHVSA-N 2 1 323.481 2.419 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255103 796350020 /nfs/dbraw/zinc/35/00/20/796350020.db2.gz NALNSXZANAVEHC-BBRMVZONSA-N 2 1 322.449 2.055 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)cc2)CC1 ZINC001139413486 796373930 /nfs/dbraw/zinc/37/39/30/796373930.db2.gz VDPVSTFNDOURIT-NNZMDNLPSA-N 2 1 303.425 2.086 20 10 DECDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1Cl ZINC001140340232 796509580 /nfs/dbraw/zinc/50/95/80/796509580.db2.gz UDJQBVHMSHKJGV-JKSUJKDBSA-N 2 1 323.868 2.256 20 10 DECDMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@H]1C[NH3+] ZINC001205627214 800390398 /nfs/dbraw/zinc/39/03/98/800390398.db2.gz NYDLAGCVMSXSKC-GOEBONIOSA-N 2 1 303.450 2.322 20 10 DECDMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233487827 802129456 /nfs/dbraw/zinc/12/94/56/802129456.db2.gz UBNHDCNJYYWLFP-UHFFFAOYSA-N 2 1 308.422 2.500 20 10 DECDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233487827 802129461 /nfs/dbraw/zinc/12/94/61/802129461.db2.gz UBNHDCNJYYWLFP-UHFFFAOYSA-N 2 1 308.422 2.500 20 10 DECDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159964 1150869523 /nfs/dbraw/zinc/86/95/23/1150869523.db2.gz PGLCBNOANKPPTK-CALCHBBNSA-N 2 1 316.493 2.259 20 10 DECDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159964 1150869529 /nfs/dbraw/zinc/86/95/29/1150869529.db2.gz PGLCBNOANKPPTK-CALCHBBNSA-N 2 1 316.493 2.259 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCOCC3)cc2F)CC1 ZINC001473972463 1060783393 /nfs/dbraw/zinc/78/33/93/1060783393.db2.gz YBARANSTCPTLJM-UHFFFAOYSA-N 2 1 321.440 2.094 20 10 DECDMP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001655657051 1080009772 /nfs/dbraw/zinc/00/97/72/1080009772.db2.gz FMYFXMLBNFUOMV-QGZVFWFLSA-N 2 1 323.456 2.338 20 10 DECDMP Cc1c2ccccc2n(C)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC001656195000 1080062765 /nfs/dbraw/zinc/06/27/65/1080062765.db2.gz MGQAUAZNJNUVCT-UHFFFAOYSA-N 2 1 315.461 2.423 20 10 DECDMP CC[C@@H](CCO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657413945 1080172681 /nfs/dbraw/zinc/17/26/81/1080172681.db2.gz DADSBYQGCKWKHI-HNNXBMFYSA-N 2 1 323.456 2.076 20 10 DECDMP [NH3+]CC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001205046741 1085860469 /nfs/dbraw/zinc/86/04/69/1085860469.db2.gz LDAIKIKHGSWJJJ-UHFFFAOYSA-N 2 1 317.202 2.465 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001319839998 1140757485 /nfs/dbraw/zinc/75/74/85/1140757485.db2.gz RGZSQIZDBAMSIS-ZBFHGGJFSA-N 2 1 321.440 2.235 20 10 DECDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445076 402697868 /nfs/dbraw/zinc/69/78/68/402697868.db2.gz IDVCLTPNZQIVSD-CYBMUJFWSA-N 2 1 306.406 2.285 20 10 DECDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445076 402697869 /nfs/dbraw/zinc/69/78/69/402697869.db2.gz IDVCLTPNZQIVSD-CYBMUJFWSA-N 2 1 306.406 2.285 20 10 DECDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445076 402697871 /nfs/dbraw/zinc/69/78/71/402697871.db2.gz IDVCLTPNZQIVSD-CYBMUJFWSA-N 2 1 306.406 2.285 20 10 DECDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173445076 402697872 /nfs/dbraw/zinc/69/78/72/402697872.db2.gz IDVCLTPNZQIVSD-CYBMUJFWSA-N 2 1 306.406 2.285 20 10 DECDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278944626 402888999 /nfs/dbraw/zinc/88/89/99/402888999.db2.gz YKCWIOREDDNBSC-GFCCVEGCSA-N 2 1 323.393 2.131 20 10 DECDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278944626 402889000 /nfs/dbraw/zinc/88/90/00/402889000.db2.gz YKCWIOREDDNBSC-GFCCVEGCSA-N 2 1 323.393 2.131 20 10 DECDMP COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000185366932 333207755 /nfs/dbraw/zinc/20/77/55/333207755.db2.gz QFNTVXUKDPQMNS-HNNXBMFYSA-N 2 1 321.465 2.079 20 10 DECDMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377631946 534194238 /nfs/dbraw/zinc/19/42/38/534194238.db2.gz SKDNOIRVKMFRCH-SFHVURJKSA-N 2 1 317.477 2.301 20 10 DECDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142448 624795364 /nfs/dbraw/zinc/79/53/64/624795364.db2.gz FRWCOSYIOJUKDV-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142448 624795365 /nfs/dbraw/zinc/79/53/65/624795365.db2.gz FRWCOSYIOJUKDV-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142448 624795366 /nfs/dbraw/zinc/79/53/66/624795366.db2.gz FRWCOSYIOJUKDV-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142448 624795367 /nfs/dbraw/zinc/79/53/67/624795367.db2.gz FRWCOSYIOJUKDV-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142448 624795368 /nfs/dbraw/zinc/79/53/68/624795368.db2.gz FRWCOSYIOJUKDV-CYBMUJFWSA-N 2 1 308.422 2.183 20 10 DECDMP CCc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000894375272 636958321 /nfs/dbraw/zinc/95/83/21/636958321.db2.gz JCZCUKXTGGHBFV-UHFFFAOYSA-N 2 1 305.466 2.072 20 10 DECDMP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(O)c1OC ZINC000895136351 637645615 /nfs/dbraw/zinc/64/56/15/637645615.db2.gz HSMWERBMFVUHSY-UHFFFAOYSA-N 2 1 310.438 2.477 20 10 DECDMP COc1cc(O)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000839181908 637811853 /nfs/dbraw/zinc/81/18/53/637811853.db2.gz KIJODZFCQIWWMX-CYBMUJFWSA-N 2 1 308.422 2.231 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000840934322 650389194 /nfs/dbraw/zinc/38/91/94/650389194.db2.gz OCJKVZQGWRXMQT-LJQANCHMSA-N 2 1 319.493 2.388 20 10 DECDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841038965 650411996 /nfs/dbraw/zinc/41/19/96/650411996.db2.gz VVITWFJFAZOWRP-OAHLLOKOSA-N 2 1 309.429 2.125 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000756414950 639660564 /nfs/dbraw/zinc/66/05/64/639660564.db2.gz ALOKRDMUQVIYHR-NWANDNLSSA-N 2 1 318.417 2.456 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000756414950 639660567 /nfs/dbraw/zinc/66/05/67/639660567.db2.gz ALOKRDMUQVIYHR-NWANDNLSSA-N 2 1 318.417 2.456 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000902518652 643063070 /nfs/dbraw/zinc/06/30/70/643063070.db2.gz SGOPJUMKYKHEHT-RZRMAFQFSA-N 2 1 316.493 2.228 20 10 DECDMP CCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725651 643441098 /nfs/dbraw/zinc/44/10/98/643441098.db2.gz FGDCNUKIKVFTQT-SJLPKXTDSA-N 2 1 304.434 2.373 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC([NH3+])CC1 ZINC000843056693 650879552 /nfs/dbraw/zinc/87/95/52/650879552.db2.gz WRMFCVWPSVYFKG-UHFFFAOYSA-N 2 1 303.450 2.225 20 10 DECDMP CN(C)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000841088091 645157377 /nfs/dbraw/zinc/15/73/77/645157377.db2.gz WUHNZVFXPBRHTB-UHFFFAOYSA-N 2 1 316.493 2.059 20 10 DECDMP COc1c(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000809735641 646270772 /nfs/dbraw/zinc/27/07/72/646270772.db2.gz MTAJJGZGKQLDLF-LBPRGKRZSA-N 2 1 323.393 2.129 20 10 DECDMP COc1c(O)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000809735641 646270778 /nfs/dbraw/zinc/27/07/78/646270778.db2.gz MTAJJGZGKQLDLF-LBPRGKRZSA-N 2 1 323.393 2.129 20 10 DECDMP CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809767806 646281203 /nfs/dbraw/zinc/28/12/03/646281203.db2.gz UPLAGCAACDHWSK-IBGZPJMESA-N 2 1 319.493 2.277 20 10 DECDMP C[C@H]1CC2(C[N@H+]1Cc1cc3c(cc1O)OCO3)CC[NH2+]CC2 ZINC000818431989 647464517 /nfs/dbraw/zinc/46/45/17/647464517.db2.gz ZRXFFDGLEKGQPU-LBPRGKRZSA-N 2 1 304.390 2.085 20 10 DECDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000733328877 649543802 /nfs/dbraw/zinc/54/38/02/649543802.db2.gz GDOLRSMKLCJEIR-QGZVFWFLSA-N 2 1 304.434 2.434 20 10 DECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000844901927 651180745 /nfs/dbraw/zinc/18/07/45/651180745.db2.gz JIPLGALPZOCFFF-SRCQZFHVSA-N 2 1 308.397 2.250 20 10 DECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 ZINC000846045188 651304156 /nfs/dbraw/zinc/30/41/56/651304156.db2.gz VNMZSQHCSLIYBF-VQIMIIECSA-N 2 1 317.477 2.438 20 10 DECDMP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000848526485 651467245 /nfs/dbraw/zinc/46/72/45/651467245.db2.gz YVECQLNPNDSLAX-MRXNPFEDSA-N 2 1 321.440 2.235 20 10 DECDMP CN1CCN(c2ccc(C[NH2+]CCCCCC[NH3+])cc2)CC1 ZINC000107797350 651490744 /nfs/dbraw/zinc/49/07/44/651490744.db2.gz OUPVLNMYBRWGOT-UHFFFAOYSA-N 2 1 304.482 2.047 20 10 DECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227135 689188492 /nfs/dbraw/zinc/18/84/92/689188492.db2.gz HJEZFTZFWFHDMF-DGCLKSJQSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873227135 689188494 /nfs/dbraw/zinc/18/84/94/689188494.db2.gz HJEZFTZFWFHDMF-DGCLKSJQSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873228633 689189634 /nfs/dbraw/zinc/18/96/34/689189634.db2.gz VCROOELIMHVLTA-NEPJUHHUSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873228633 689189635 /nfs/dbraw/zinc/18/96/35/689189635.db2.gz VCROOELIMHVLTA-NEPJUHHUSA-N 2 1 318.339 2.360 20 10 DECDMP Cc1cccc(O)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000876781142 689936001 /nfs/dbraw/zinc/93/60/01/689936001.db2.gz CXSLOFGEBCYZDJ-WMZOPIPTSA-N 2 1 317.477 2.158 20 10 DECDMP CCCCOCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001177537675 794694948 /nfs/dbraw/zinc/69/49/48/794694948.db2.gz VQFDPUPXMUEMKX-UHFFFAOYSA-N 2 1 323.456 2.484 20 10 DECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H](C)OC ZINC001117656407 795093873 /nfs/dbraw/zinc/09/38/73/795093873.db2.gz LHWGEZVSSNHXMV-HNNXBMFYSA-N 2 1 323.456 2.434 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H](C)OC ZINC001117656407 795093880 /nfs/dbraw/zinc/09/38/80/795093880.db2.gz LHWGEZVSSNHXMV-HNNXBMFYSA-N 2 1 323.456 2.434 20 10 DECDMP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC001184387288 796052273 /nfs/dbraw/zinc/05/22/73/796052273.db2.gz IJVJVGFOGZQIEP-LEWSCRJBSA-N 2 1 310.825 2.484 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@@H](OC)C2)cc(C[NH+](C)C)c1O ZINC001139252820 796349217 /nfs/dbraw/zinc/34/92/17/796349217.db2.gz AHBUGZCYRWZSDW-OAHLLOKOSA-N 2 1 308.422 2.073 20 10 DECDMP COc1cc(C[N@H+]2C[C@H](CO)CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139254341 796350337 /nfs/dbraw/zinc/35/03/37/796350337.db2.gz HHOUYIZTQWMDKQ-ZIAGYGMSSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc(C[NH+](C)C)c1O ZINC001139259636 796351042 /nfs/dbraw/zinc/35/10/42/796351042.db2.gz ZNCHXIXSUAPBSO-MRXNPFEDSA-N 2 1 322.449 2.198 20 10 DECDMP CC(C)[C@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001200580691 798652880 /nfs/dbraw/zinc/65/28/80/798652880.db2.gz KBFQPCPXYOTWGM-GOSISDBHSA-N 2 1 323.456 2.074 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1C[NH3+] ZINC001205151462 800306898 /nfs/dbraw/zinc/30/68/98/800306898.db2.gz UULCDTARWAENEH-DZGCQCFKSA-N 2 1 323.868 2.203 20 10 DECDMP Cc1c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c2ccccc2n1C ZINC001205221346 800322236 /nfs/dbraw/zinc/32/22/36/800322236.db2.gz SBPQMBCCXOUQKN-SFHVURJKSA-N 2 1 301.434 2.162 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC001206003401 800456888 /nfs/dbraw/zinc/45/68/88/800456888.db2.gz HNBXHLWOUQIBMK-STQMWFEESA-N 2 1 308.422 2.216 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(OC)c1 ZINC001206311580 800507246 /nfs/dbraw/zinc/50/72/46/800507246.db2.gz QXYSLYWITUPTDE-KRWDZBQOSA-N 2 1 308.422 2.360 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)ccc21 ZINC001206556908 800554418 /nfs/dbraw/zinc/55/44/18/800554418.db2.gz ZSCURVVDLRMXFN-SFHVURJKSA-N 2 1 303.450 2.466 20 10 DECDMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(O)c(OC)c1 ZINC001206572532 800556338 /nfs/dbraw/zinc/55/63/38/800556338.db2.gz CHRNLKSRMDSVQL-QGZVFWFLSA-N 2 1 308.422 2.360 20 10 DECDMP Oc1cc2ccccc2cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104065 802643745 /nfs/dbraw/zinc/64/37/45/802643745.db2.gz ALXDTFWOKSLDGR-UHFFFAOYSA-N 2 1 311.429 2.073 20 10 DECDMP Oc1c(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)ccc2ccccc21 ZINC001580885784 1076014047 /nfs/dbraw/zinc/01/40/47/1076014047.db2.gz MVXUSSVDBPMIFD-UHFFFAOYSA-N 2 1 312.413 2.500 20 10 DECDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001656746975 1080120387 /nfs/dbraw/zinc/12/03/87/1080120387.db2.gz XATCGISTIJOBLC-UHFFFAOYSA-N 3 1 318.509 2.258 20 10 DECDMP CC(C)[N@H+](C)CCCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001656746975 1080120390 /nfs/dbraw/zinc/12/03/90/1080120390.db2.gz XATCGISTIJOBLC-UHFFFAOYSA-N 2 1 318.509 2.258 20 10 DECDMP CC(C)[N@@H+](C)CCCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001656746975 1080120393 /nfs/dbraw/zinc/12/03/93/1080120393.db2.gz XATCGISTIJOBLC-UHFFFAOYSA-N 2 1 318.509 2.258 20 10 DECDMP CCN(CC)CC[N@H+](CC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235691229 1084501504 /nfs/dbraw/zinc/50/15/04/1084501504.db2.gz GXJSPNBWEZVKDH-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP CCN(CC)CC[N@@H+](CC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235691229 1084501507 /nfs/dbraw/zinc/50/15/07/1084501507.db2.gz GXJSPNBWEZVKDH-UHFFFAOYSA-N 2 1 318.509 2.260 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c(Cl)c1 ZINC001236072314 1084603309 /nfs/dbraw/zinc/60/33/09/1084603309.db2.gz GCNXPBUBSZYNMV-INIZCTEOSA-N 2 1 322.884 2.013 20 10 DECDMP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)cc1O ZINC001276091003 1091535795 /nfs/dbraw/zinc/53/57/95/1091535795.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 2 1 320.433 2.414 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)cc1O ZINC001276091003 1091535800 /nfs/dbraw/zinc/53/58/00/1091535800.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 2 1 320.433 2.414 20 10 DECDMP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)cc1O ZINC001276091003 1091535807 /nfs/dbraw/zinc/53/58/07/1091535807.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 2 1 320.433 2.414 20 10 DECDMP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(O)cc1O ZINC001276091003 1091535813 /nfs/dbraw/zinc/53/58/13/1091535813.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 2 1 320.433 2.414 20 10 DECDMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112488 1091559863 /nfs/dbraw/zinc/55/98/63/1091559863.db2.gz GRUKUHJCHHZCSO-QGZVFWFLSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112488 1091559872 /nfs/dbraw/zinc/55/98/72/1091559872.db2.gz GRUKUHJCHHZCSO-QGZVFWFLSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112488 1091559879 /nfs/dbraw/zinc/55/98/79/1091559879.db2.gz GRUKUHJCHHZCSO-QGZVFWFLSA-N 2 1 306.406 2.111 20 10 DECDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275914108 1092300505 /nfs/dbraw/zinc/30/05/05/1092300505.db2.gz VIAJTHKRLQVXMG-ALOPSCKCSA-N 2 1 321.440 2.178 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CCCOC1 ZINC001236947298 1138463379 /nfs/dbraw/zinc/46/33/79/1138463379.db2.gz QDJYZBRYIJKWAC-KRWDZBQOSA-N 2 1 321.440 2.188 20 10 DECDMP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325321010 1147892603 /nfs/dbraw/zinc/89/26/03/1147892603.db2.gz SAHNCUPEZJUJMM-HNNXBMFYSA-N 3 1 322.472 2.185 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000273504079 130129717 /nfs/dbraw/zinc/12/97/17/130129717.db2.gz QTDBLTKUXNSPEN-GFCCVEGCSA-N 2 1 304.390 2.091 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000273504079 130129718 /nfs/dbraw/zinc/12/97/18/130129718.db2.gz QTDBLTKUXNSPEN-GFCCVEGCSA-N 2 1 304.390 2.091 20 10 DECDMP COc1cc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000362239365 403937816 /nfs/dbraw/zinc/93/78/16/403937816.db2.gz RWYOFTOACBNJFM-KGLIPLIRSA-N 2 1 306.406 2.126 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2F)CC1 ZINC001330534306 1149181140 /nfs/dbraw/zinc/18/11/40/1149181140.db2.gz XUKQUHYOQQYSCI-KRWDZBQOSA-N 2 1 321.440 2.235 20 10 DECDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921720577 634807894 /nfs/dbraw/zinc/80/78/94/634807894.db2.gz BMYRAHBORPZXAU-GOSISDBHSA-N 2 1 318.461 2.338 20 10 DECDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839182299 637811507 /nfs/dbraw/zinc/81/15/07/637811507.db2.gz MKROGFXEPXUQQC-GOSISDBHSA-N 2 1 317.477 2.345 20 10 DECDMP COCCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841894633 638304818 /nfs/dbraw/zinc/30/48/18/638304818.db2.gz RZUZWXFXPNNRSD-UHFFFAOYSA-N 2 1 305.466 2.297 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000841057651 650417011 /nfs/dbraw/zinc/41/70/11/650417011.db2.gz BUPKPDWWPBHULE-KSSFIOAISA-N 2 1 303.450 2.252 20 10 DECDMP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1O ZINC000756408220 639660011 /nfs/dbraw/zinc/66/00/11/639660011.db2.gz LGPNSSWFLXDMGE-AWEZNQCLSA-N 2 1 309.429 2.210 20 10 DECDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787915 640459951 /nfs/dbraw/zinc/45/99/51/640459951.db2.gz OADRMJVFLFQBCG-QFBILLFUSA-N 2 1 317.477 2.394 20 10 DECDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787915 640459956 /nfs/dbraw/zinc/45/99/56/640459956.db2.gz OADRMJVFLFQBCG-QFBILLFUSA-N 2 1 317.477 2.394 20 10 DECDMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000841004127 640566814 /nfs/dbraw/zinc/56/68/14/640566814.db2.gz MOFSNAPFGONOJZ-SJLPKXTDSA-N 2 1 317.477 2.343 20 10 DECDMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c(O)c1OC ZINC000898306044 641096461 /nfs/dbraw/zinc/09/64/61/641096461.db2.gz CNTNNRKKACVNHV-UHFFFAOYSA-N 2 1 310.438 2.429 20 10 DECDMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c(O)c1OC ZINC000898306044 641096463 /nfs/dbraw/zinc/09/64/63/641096463.db2.gz CNTNNRKKACVNHV-UHFFFAOYSA-N 2 1 310.438 2.429 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCSC1 ZINC000775649874 642073472 /nfs/dbraw/zinc/07/34/72/642073472.db2.gz UJRXRNCWARSRKB-QGZVFWFLSA-N 2 1 305.491 2.376 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC(C)(C)O)C3CC3)cc2)CC1 ZINC000779190781 642471162 /nfs/dbraw/zinc/47/11/62/642471162.db2.gz AXHSATJFVVOZRP-UHFFFAOYSA-N 2 1 317.477 2.174 20 10 DECDMP CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000902516074 643061864 /nfs/dbraw/zinc/06/18/64/643061864.db2.gz ANMQZBAALSDEDK-NJAFHUGGSA-N 2 1 304.482 2.072 20 10 DECDMP COc1ccc(N2CCC([NH2+]CCc3c[nH+]cn3C)CC2)cc1 ZINC000788254186 643583477 /nfs/dbraw/zinc/58/34/77/643583477.db2.gz FVXFJUWUWZIZAF-UHFFFAOYSA-N 2 1 314.433 2.230 20 10 DECDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)C[NH3+] ZINC000843055984 650879514 /nfs/dbraw/zinc/87/95/14/650879514.db2.gz BIOUJAHJGKLZPV-UHFFFAOYSA-N 2 1 309.429 2.079 20 10 DECDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000843058394 650880073 /nfs/dbraw/zinc/88/00/73/650880073.db2.gz QVNNZSUJZKBAND-YTQUADARSA-N 2 1 315.461 2.082 20 10 DECDMP CCC[C@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843058336 650880100 /nfs/dbraw/zinc/88/01/00/650880100.db2.gz PEOMNLIELJFGRS-IBGZPJMESA-N 2 1 316.493 2.012 20 10 DECDMP CCC[C@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843058336 650880102 /nfs/dbraw/zinc/88/01/02/650880102.db2.gz PEOMNLIELJFGRS-IBGZPJMESA-N 2 1 316.493 2.012 20 10 DECDMP Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000843116717 650898873 /nfs/dbraw/zinc/89/88/73/650898873.db2.gz UDBPIQDZWROJDV-DOTOQJQBSA-N 2 1 304.434 2.373 20 10 DECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843124862 650901276 /nfs/dbraw/zinc/90/12/76/650901276.db2.gz JSHSURZHVRKGHW-QGZVFWFLSA-N 2 1 317.477 2.248 20 10 DECDMP Cc1cc(O)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000843431345 650973511 /nfs/dbraw/zinc/97/35/11/650973511.db2.gz CIERNZRHZLZHMI-UHFFFAOYSA-N 2 1 304.434 2.306 20 10 DECDMP COc1c([O-])c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865070 647368691 /nfs/dbraw/zinc/36/86/91/647368691.db2.gz NWEWEIXIIKHAIE-WZRBSPASSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865070 647368694 /nfs/dbraw/zinc/36/86/94/647368694.db2.gz NWEWEIXIIKHAIE-WZRBSPASSA-N 2 1 323.393 2.114 20 10 DECDMP COc1c(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000817865070 647368695 /nfs/dbraw/zinc/36/86/95/647368695.db2.gz NWEWEIXIIKHAIE-WZRBSPASSA-N 2 1 323.393 2.114 20 10 DECDMP Cc1cc(O)c(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cl ZINC000825130509 648708250 /nfs/dbraw/zinc/70/82/50/648708250.db2.gz BEVMEVONOMBAMK-UHFFFAOYSA-N 2 1 312.841 2.290 20 10 DECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1O ZINC000844910003 651182197 /nfs/dbraw/zinc/18/21/97/651182197.db2.gz FXIVSAOUCPCGAH-UXLLHSPISA-N 2 1 320.433 2.262 20 10 DECDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876731113 689919278 /nfs/dbraw/zinc/91/92/78/689919278.db2.gz NMUMIDDFKPVXGC-KRWDZBQOSA-N 2 1 317.477 2.031 20 10 DECDMP COCC[N@H+](Cc1cc(OC)ccc1O)CC1CC[NH+](C)CC1 ZINC000877664424 690182961 /nfs/dbraw/zinc/18/29/61/690182961.db2.gz OLDQNALYQSALJX-UHFFFAOYSA-N 2 1 322.449 2.191 20 10 DECDMP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791633 693342554 /nfs/dbraw/zinc/34/25/54/693342554.db2.gz MKQHDWRZSRZDRE-KGLIPLIRSA-N 2 1 320.433 2.210 20 10 DECDMP COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925791634 693343057 /nfs/dbraw/zinc/34/30/57/693343057.db2.gz MKQHDWRZSRZDRE-UONOGXRCSA-N 2 1 320.433 2.210 20 10 DECDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001345159975 1150869807 /nfs/dbraw/zinc/86/98/07/1150869807.db2.gz PGLCBNOANKPPTK-IRXDYDNUSA-N 2 1 316.493 2.259 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COC(C)(C)C3)cc2F)CC1 ZINC001352736455 1151769941 /nfs/dbraw/zinc/76/99/41/1151769941.db2.gz BCHRRWRHZDNULM-HNNXBMFYSA-N 2 1 321.440 2.235 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001118243491 795169167 /nfs/dbraw/zinc/16/91/67/795169167.db2.gz STMPXJXIIPBGQM-UHFFFAOYSA-N 2 1 320.433 2.375 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139253134 796348777 /nfs/dbraw/zinc/34/87/77/796348777.db2.gz MZANDNWOWFZIPG-CZUORRHYSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139256185 796350227 /nfs/dbraw/zinc/35/02/27/796350227.db2.gz WDRGFBBRHJOPCD-GOSISDBHSA-N 2 1 320.433 2.075 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259018 796351884 /nfs/dbraw/zinc/35/18/84/796351884.db2.gz DVDQQXXHDGIOFO-HOCLYGCPSA-N 2 1 320.433 2.073 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C[C@H]3C)cc2)CC1 ZINC001140304689 796503337 /nfs/dbraw/zinc/50/33/37/796503337.db2.gz YHYSLHGDDLNPSR-VQIMIIECSA-N 2 1 317.477 2.174 20 10 DECDMP Cc1c(O)ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1O ZINC001140749129 796567807 /nfs/dbraw/zinc/56/78/07/796567807.db2.gz YCGGRBCJWFDTBT-UHFFFAOYSA-N 2 1 319.405 2.036 20 10 DECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205673827 800397916 /nfs/dbraw/zinc/39/79/16/800397916.db2.gz UNOGDALOTGGAGR-LJQANCHMSA-N 2 1 317.477 2.353 20 10 DECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001205725793 800408140 /nfs/dbraw/zinc/40/81/40/800408140.db2.gz LJUXAIUSSLVGIB-AWEZNQCLSA-N 2 1 318.339 2.087 20 10 DECDMP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001655657050 1080009793 /nfs/dbraw/zinc/00/97/93/1080009793.db2.gz FMYFXMLBNFUOMV-KRWDZBQOSA-N 2 1 323.456 2.338 20 10 DECDMP CC[C@H](CCO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657413946 1080172973 /nfs/dbraw/zinc/17/29/73/1080172973.db2.gz DADSBYQGCKWKHI-OAHLLOKOSA-N 2 1 323.456 2.076 20 10 DECDMP c1c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235938970 1084568411 /nfs/dbraw/zinc/56/84/11/1084568411.db2.gz NCEWVAWZASLMBD-RTBURBONSA-N 2 1 311.473 2.427 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1OC ZINC001276368536 1085838486 /nfs/dbraw/zinc/83/84/86/1085838486.db2.gz NPXBNRYAXZXTBQ-ZXFUBFMLSA-N 2 1 303.450 2.476 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1OC ZINC001276368536 1085838497 /nfs/dbraw/zinc/83/84/97/1085838497.db2.gz NPXBNRYAXZXTBQ-ZXFUBFMLSA-N 2 1 303.450 2.476 20 10 DECDMP C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320968394 1141011443 /nfs/dbraw/zinc/01/14/43/1141011443.db2.gz ZDXDKQYHSXOIBD-KDOFPFPSSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@H](CO)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323052208 1141806024 /nfs/dbraw/zinc/80/60/24/1141806024.db2.gz LKOTWXNLJJDEEE-HNNXBMFYSA-N 2 1 323.456 2.076 20 10 DECDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183416555 402765117 /nfs/dbraw/zinc/76/51/17/402765117.db2.gz NLZORMUNUZZMFG-MRXNPFEDSA-N 2 1 305.466 2.461 20 10 DECDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000185414372 333208598 /nfs/dbraw/zinc/20/85/98/333208598.db2.gz ZPLXWPRTMZEBRJ-DZGCQCFKSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000185414372 333208600 /nfs/dbraw/zinc/20/86/00/333208600.db2.gz ZPLXWPRTMZEBRJ-DZGCQCFKSA-N 2 1 310.413 2.419 20 10 DECDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1O ZINC000185414372 333208602 /nfs/dbraw/zinc/20/86/02/333208602.db2.gz ZPLXWPRTMZEBRJ-DZGCQCFKSA-N 2 1 310.413 2.419 20 10 DECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370703907 534197023 /nfs/dbraw/zinc/19/70/23/534197023.db2.gz VHNWAAUEKXHFLR-FUHWJXTLSA-N 2 1 317.477 2.158 20 10 DECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839182303 637811534 /nfs/dbraw/zinc/81/15/34/637811534.db2.gz MKROGFXEPXUQQC-SFHVURJKSA-N 2 1 317.477 2.345 20 10 DECDMP C[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000895296818 637900711 /nfs/dbraw/zinc/90/07/11/637900711.db2.gz FGVAVVDEICUCOY-CQSZACIVSA-N 2 1 309.429 2.092 20 10 DECDMP COc1cc(Br)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1O ZINC000841031236 650409675 /nfs/dbraw/zinc/40/96/75/650409675.db2.gz ZISHVVGDLUQMRK-LLVKDONJSA-N 2 1 317.227 2.236 20 10 DECDMP COc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1C ZINC000841087362 650427731 /nfs/dbraw/zinc/42/77/31/650427731.db2.gz LMDQIXOKPGTRSS-UHFFFAOYSA-N 2 1 317.477 2.310 20 10 DECDMP Cc1cc(C)c(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000754732554 639465521 /nfs/dbraw/zinc/46/55/21/639465521.db2.gz OQRKEWGMGIWNRE-SFHVURJKSA-N 2 1 317.477 2.221 20 10 DECDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000762555397 640438550 /nfs/dbraw/zinc/43/85/50/640438550.db2.gz IOXSIRPFRDKXCO-IBGZPJMESA-N 2 1 312.413 2.215 20 10 DECDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000762555397 640438554 /nfs/dbraw/zinc/43/85/54/640438554.db2.gz IOXSIRPFRDKXCO-IBGZPJMESA-N 2 1 312.413 2.215 20 10 DECDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841031615 640854489 /nfs/dbraw/zinc/85/44/89/640854489.db2.gz YGTKNMHJRMBFIS-UHFFFAOYSA-N 2 1 309.429 2.269 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000771839954 641558544 /nfs/dbraw/zinc/55/85/44/641558544.db2.gz ACPXLWIJNUSKSF-AEFFLSMTSA-N 3 1 316.493 2.011 20 10 DECDMP CCOCC[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775664368 642075864 /nfs/dbraw/zinc/07/58/64/642075864.db2.gz MOODCGCNPJZICB-UHFFFAOYSA-N 2 1 305.466 2.297 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCOCC1 ZINC000775688577 642079316 /nfs/dbraw/zinc/07/93/16/642079316.db2.gz UNHOJCQUQAAQJC-UHFFFAOYSA-N 2 1 317.477 2.297 20 10 DECDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000843050853 650877928 /nfs/dbraw/zinc/87/79/28/650877928.db2.gz AIDWSQGBJYEVEG-QAPCUYQASA-N 2 1 303.450 2.082 20 10 DECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000843050853 650877930 /nfs/dbraw/zinc/87/79/30/650877930.db2.gz AIDWSQGBJYEVEG-QAPCUYQASA-N 2 1 303.450 2.082 20 10 DECDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000799735832 645215353 /nfs/dbraw/zinc/21/53/53/645215353.db2.gz BXKAWBYXUKHUFE-APWZRJJASA-N 2 1 317.477 2.438 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000817987581 647401712 /nfs/dbraw/zinc/40/17/12/647401712.db2.gz UMSAYHVSBPIQHG-CYUUQNCZSA-N 2 1 318.417 2.218 20 10 DECDMP COc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](C)CC3)C2)cc1 ZINC000818222267 647435742 /nfs/dbraw/zinc/43/57/42/647435742.db2.gz WAFXOMNXTIEKPI-HNNXBMFYSA-N 2 1 303.450 2.205 20 10 DECDMP COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000818616402 647488996 /nfs/dbraw/zinc/48/89/96/647488996.db2.gz WDQPIVYHIUBPKL-RKVPGOIHSA-N 2 1 303.450 2.109 20 10 DECDMP COc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000733329733 649543809 /nfs/dbraw/zinc/54/38/09/649543809.db2.gz YCLFUCCJEVGCPP-INIZCTEOSA-N 2 1 320.433 2.134 20 10 DECDMP COc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000733329735 649543898 /nfs/dbraw/zinc/54/38/98/649543898.db2.gz YCLFUCCJEVGCPP-MRXNPFEDSA-N 2 1 320.433 2.134 20 10 DECDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000733328876 649544076 /nfs/dbraw/zinc/54/40/76/649544076.db2.gz GDOLRSMKLCJEIR-KRWDZBQOSA-N 2 1 304.434 2.434 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000844901928 651180597 /nfs/dbraw/zinc/18/05/97/651180597.db2.gz JIPLGALPZOCFFF-VMGRFDJRSA-N 2 1 308.397 2.250 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000844911241 651182179 /nfs/dbraw/zinc/18/21/79/651182179.db2.gz MLVGAEVJZQFVPK-VYDXJSESSA-N 2 1 308.397 2.392 20 10 DECDMP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848530994 651467817 /nfs/dbraw/zinc/46/78/17/651467817.db2.gz MAAVARJGDIDFFF-IBGZPJMESA-N 2 1 317.477 2.404 20 10 DECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000850409800 651923124 /nfs/dbraw/zinc/92/31/24/651923124.db2.gz HAAKLRWXUSROMX-HNNXBMFYSA-N 2 1 313.449 2.023 20 10 DECDMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850488431 651938083 /nfs/dbraw/zinc/93/80/83/651938083.db2.gz MRSZFKSYQDUITP-MRXNPFEDSA-N 2 1 303.450 2.348 20 10 DECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1C ZINC000850565792 651953512 /nfs/dbraw/zinc/95/35/12/651953512.db2.gz HZZVGDAOSQHREQ-WBVHZDCISA-N 2 1 317.477 2.220 20 10 DECDMP Cc1cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1N(C)C ZINC000852707147 652442405 /nfs/dbraw/zinc/44/24/05/652442405.db2.gz DIDJBBFZSACPBH-GOSISDBHSA-N 2 1 317.477 2.092 20 10 DECDMP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1N(C)C ZINC000852707147 652442408 /nfs/dbraw/zinc/44/24/08/652442408.db2.gz DIDJBBFZSACPBH-GOSISDBHSA-N 2 1 317.477 2.092 20 10 DECDMP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1N(C)C ZINC000852707147 652442409 /nfs/dbraw/zinc/44/24/09/652442409.db2.gz DIDJBBFZSACPBH-GOSISDBHSA-N 2 1 317.477 2.092 20 10 DECDMP CCC[N@@H+]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000389261140 685433019 /nfs/dbraw/zinc/43/30/19/685433019.db2.gz ORROLKOLHLZSEZ-QGZVFWFLSA-N 2 1 303.450 2.097 20 10 DECDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000876781141 689935992 /nfs/dbraw/zinc/93/59/92/689935992.db2.gz CXSLOFGEBCYZDJ-SJLPKXTDSA-N 2 1 317.477 2.158 20 10 DECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065247 /nfs/dbraw/zinc/06/52/47/785065247.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 2 1 302.418 2.471 20 10 DECDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065252 /nfs/dbraw/zinc/06/52/52/785065252.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 2 1 302.418 2.471 20 10 DECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065258 /nfs/dbraw/zinc/06/52/58/785065258.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 2 1 302.418 2.471 20 10 DECDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065263 /nfs/dbraw/zinc/06/52/63/785065263.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 2 1 302.418 2.471 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCCOC3)cc2F)CC1 ZINC001116496838 794960972 /nfs/dbraw/zinc/96/09/72/794960972.db2.gz VLQNZTSMGOIQGR-GOSISDBHSA-N 2 1 321.440 2.236 20 10 DECDMP COc1cc(C[N@H+]2CCCOC(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139257035 796350520 /nfs/dbraw/zinc/35/05/20/796350520.db2.gz PKEQSTZNVJBSTC-UHFFFAOYSA-N 2 1 322.449 2.463 20 10 DECDMP COc1cc(C[N@H+]2CC[C@@]3(CCCO3)C2)cc(C[NH+](C)C)c1O ZINC001139255705 796350544 /nfs/dbraw/zinc/35/05/44/796350544.db2.gz ROWKVGMTWSRTPA-SFHVURJKSA-N 2 1 320.433 2.217 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4cccnc4C3)cc2)CC1 ZINC001139411148 796372237 /nfs/dbraw/zinc/37/22/37/796372237.db2.gz WWLGKFDUPAGJCY-UHFFFAOYSA-N 2 1 322.456 2.392 20 10 DECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@]1(C)O ZINC001139408476 796372470 /nfs/dbraw/zinc/37/24/70/796372470.db2.gz NATUPPAJCJUJQL-APWZRJJASA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)CC3)cc2)CC1 ZINC001140302012 796503932 /nfs/dbraw/zinc/50/39/32/796503932.db2.gz HHOJSZGSDWFEKN-LJQANCHMSA-N 2 1 317.477 2.175 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](C)C3)cc2)CC1 ZINC001140301949 796504093 /nfs/dbraw/zinc/50/40/93/796504093.db2.gz FFVTYPCWFSVXPZ-MRXNPFEDSA-N 2 1 303.450 2.049 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C)C3)cc2)CC1 ZINC001140301949 796504096 /nfs/dbraw/zinc/50/40/96/796504096.db2.gz FFVTYPCWFSVXPZ-MRXNPFEDSA-N 2 1 303.450 2.049 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@H]1C[NH3+] ZINC001205996759 800455312 /nfs/dbraw/zinc/45/53/12/800455312.db2.gz YEGOSICMLZMLTG-AEFFLSMTSA-N 2 1 317.477 2.330 20 10 DECDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N)cc2)[C@@H](C)C1 ZINC001578107879 1066986205 /nfs/dbraw/zinc/98/62/05/1066986205.db2.gz MCFGNQOIEPJENP-YJBOKZPZSA-N 2 1 305.466 2.495 20 10 DECDMP Oc1c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cccc1-c1ccccc1 ZINC001235062106 1084294400 /nfs/dbraw/zinc/29/44/00/1084294400.db2.gz OCCKBKITZYKJQS-HXUWFJFHSA-N 2 1 323.440 2.197 20 10 DECDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC001337791114 1142801717 /nfs/dbraw/zinc/80/17/17/1142801717.db2.gz JFNFRJGSYXIQSJ-KCQAQPDRSA-N 2 1 318.417 2.283 20 10 DECDMP CC(C)C[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327200469 1148346803 /nfs/dbraw/zinc/34/68/03/1148346803.db2.gz PWIKOHYYVHGMGH-MRXNPFEDSA-N 2 1 323.456 2.074 20 10 DECDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000268858136 403120148 /nfs/dbraw/zinc/12/01/48/403120148.db2.gz RJGHXROXSSEKNY-HNNXBMFYSA-N 2 1 305.466 2.250 20 10 DECDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277974118 403276120 /nfs/dbraw/zinc/27/61/20/403276120.db2.gz SVVQDISTRUZPFA-OAHLLOKOSA-N 2 1 323.456 2.482 20 10 DECDMP COc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294983274 403738395 /nfs/dbraw/zinc/73/83/95/403738395.db2.gz JYLMNQPZOOOVNZ-AGUYFDCRSA-N 2 1 306.406 2.124 20 10 DECDMP COC(C)(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329732395 1148982702 /nfs/dbraw/zinc/98/27/02/1148982702.db2.gz DARXRIPCULUPJV-UHFFFAOYSA-N 2 1 323.456 2.482 20 10 DECDMP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378371992 534195565 /nfs/dbraw/zinc/19/55/65/534195565.db2.gz QSYNPUCCARNXNK-SOLBZPMBSA-N 2 1 304.434 2.384 20 10 DECDMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000894859252 637264983 /nfs/dbraw/zinc/26/49/83/637264983.db2.gz SAPDVXSYSDPRGM-CYBMUJFWSA-N 2 1 308.422 2.231 20 10 DECDMP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841081098 650424930 /nfs/dbraw/zinc/42/49/30/650424930.db2.gz UFKAFLUHFIAUMS-MRXNPFEDSA-N 2 1 304.482 2.046 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CCCC3)cc2)CC1 ZINC000775638035 642070421 /nfs/dbraw/zinc/07/04/21/642070421.db2.gz WTUSHLCHTFBRDK-UHFFFAOYSA-N 2 1 317.477 2.175 20 10 DECDMP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775653255 642072609 /nfs/dbraw/zinc/07/26/09/642072609.db2.gz BJZXWZCHNCQRAN-CVEARBPZSA-N 2 1 303.450 2.048 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCCO)C3CC3)cc2)CC1 ZINC000775701384 642081239 /nfs/dbraw/zinc/08/12/39/642081239.db2.gz LLBZALKNSFREBW-UHFFFAOYSA-N 2 1 317.477 2.175 20 10 DECDMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519014 643063722 /nfs/dbraw/zinc/06/37/22/643063722.db2.gz WMEIVLUDUBNGIA-ATZDWAIDSA-N 2 1 318.509 2.333 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000903959724 643519752 /nfs/dbraw/zinc/51/97/52/643519752.db2.gz MZSJUTKXTSLEGO-SFHVURJKSA-N 2 1 320.433 2.375 20 10 DECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCO2 ZINC000843045501 650876331 /nfs/dbraw/zinc/87/63/31/650876331.db2.gz SMSOCVMLLIJXJY-TZMCWYRMSA-N 2 1 304.390 2.085 20 10 DECDMP C[C@@]1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000843114863 650898123 /nfs/dbraw/zinc/89/81/23/650898123.db2.gz IOGMYOAMEVMOJH-SJLPKXTDSA-N 2 1 304.434 2.373 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000843125058 650901129 /nfs/dbraw/zinc/90/11/29/650901129.db2.gz MPSYQWNOVBUUBI-KGLIPLIRSA-N 2 1 320.433 2.231 20 10 DECDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2O)CC1(C)C ZINC000799346098 645162471 /nfs/dbraw/zinc/16/24/71/645162471.db2.gz DPQFHYCHMOCJKA-UHFFFAOYSA-N 2 1 311.857 2.161 20 10 DECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817959184 647393347 /nfs/dbraw/zinc/39/33/47/647393347.db2.gz COXGWTBXOXLETI-WHOFXGATSA-N 2 1 306.406 2.347 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000846225248 651316388 /nfs/dbraw/zinc/31/63/88/651316388.db2.gz JZTVBODKUXVQBX-MRXNPFEDSA-N 2 1 305.466 2.453 20 10 DECDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000853623436 652580454 /nfs/dbraw/zinc/58/04/54/652580454.db2.gz HJUPNMLZCXUTAO-GOSISDBHSA-N 2 1 318.461 2.424 20 10 DECDMP CC[C@H](C)[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000862387662 686289221 /nfs/dbraw/zinc/28/92/21/686289221.db2.gz POLDXCMPYKDVDK-INIZCTEOSA-N 2 1 305.466 2.031 20 10 DECDMP CCOc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873227127 689188462 /nfs/dbraw/zinc/18/84/62/689188462.db2.gz HJEZFTZFWFHDMF-AAEUAGOBSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873227127 689188463 /nfs/dbraw/zinc/18/84/63/689188463.db2.gz HJEZFTZFWFHDMF-AAEUAGOBSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000873227228 689188507 /nfs/dbraw/zinc/18/85/07/689188507.db2.gz IFVBFVDTHSHEGF-AAEUAGOBSA-N 2 1 318.339 2.360 20 10 DECDMP CCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000873227228 689188509 /nfs/dbraw/zinc/18/85/09/689188509.db2.gz IFVBFVDTHSHEGF-AAEUAGOBSA-N 2 1 318.339 2.360 20 10 DECDMP CN(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873228643 689189530 /nfs/dbraw/zinc/18/95/30/689189530.db2.gz VDYUOWQJSRNSDL-OCCSQVGLSA-N 2 1 301.356 2.322 20 10 DECDMP CN(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000873228643 689189533 /nfs/dbraw/zinc/18/95/33/689189533.db2.gz VDYUOWQJSRNSDL-OCCSQVGLSA-N 2 1 301.356 2.322 20 10 DECDMP Cc1cccc(O)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000877020365 689998848 /nfs/dbraw/zinc/99/88/48/689998848.db2.gz QNKGXSNJCKUFDW-UHFFFAOYSA-N 2 1 305.466 2.064 20 10 DECDMP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886522321 692100664 /nfs/dbraw/zinc/10/06/64/692100664.db2.gz HDTQEMWXQQMCDQ-LSDHHAIUSA-N 2 1 323.456 2.456 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC(C)(C)C3)cc2)CC1 ZINC001140300755 777039506 /nfs/dbraw/zinc/03/95/06/777039506.db2.gz RGPNAZYSKFZWQL-UHFFFAOYSA-N 2 1 317.477 2.439 20 10 DECDMP C[C@]1([NH3+])CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001204772394 779475809 /nfs/dbraw/zinc/47/58/09/779475809.db2.gz UYXSUTRQSIEGHQ-SFHVURJKSA-N 2 1 301.434 2.014 20 10 DECDMP C[C@]1([NH3+])CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001204772394 779475814 /nfs/dbraw/zinc/47/58/14/779475814.db2.gz UYXSUTRQSIEGHQ-SFHVURJKSA-N 2 1 301.434 2.014 20 10 DECDMP Oc1ccc(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1O ZINC001169992624 785799561 /nfs/dbraw/zinc/79/95/61/785799561.db2.gz HZQWXKAEONJHMV-UHFFFAOYSA-N 2 1 310.357 2.044 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@]23CCOC3)cc(C[NH+](C)C)c1O ZINC001139258812 796350324 /nfs/dbraw/zinc/35/03/24/796350324.db2.gz XCPCVGYKDFGLQO-GOSISDBHSA-N 2 1 320.433 2.217 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)C[C@@H]3C)cc2)CC1 ZINC001140302495 796503052 /nfs/dbraw/zinc/50/30/52/796503052.db2.gz SBOYKFVDCZPZFF-INIZCTEOSA-N 2 1 315.461 2.382 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)C[C@@H]3C)cc2)CC1 ZINC001140302495 796503057 /nfs/dbraw/zinc/50/30/57/796503057.db2.gz SBOYKFVDCZPZFF-INIZCTEOSA-N 2 1 315.461 2.382 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC001140301999 796504105 /nfs/dbraw/zinc/50/41/05/796504105.db2.gz HBQOIIBNUTVXBD-VQIMIIECSA-N 2 1 317.477 2.031 20 10 DECDMP COc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC001141028135 796620707 /nfs/dbraw/zinc/62/07/07/796620707.db2.gz CFJGHSKUOGAASE-UHFFFAOYSA-N 2 1 308.422 2.183 20 10 DECDMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141146502 796639639 /nfs/dbraw/zinc/63/96/39/796639639.db2.gz XTRLYEZTOQFEDW-IRXDYDNUSA-N 2 1 315.461 2.289 20 10 DECDMP COc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1O ZINC001203594351 800086867 /nfs/dbraw/zinc/08/68/67/800086867.db2.gz WIQYDKXXMGALLJ-UHFFFAOYSA-N 2 1 319.405 2.031 20 10 DECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206173959 800483904 /nfs/dbraw/zinc/48/39/04/800483904.db2.gz KVQRRTRRSMGOBJ-HZPDHXFCSA-N 2 1 309.429 2.500 20 10 DECDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(O)c1 ZINC001206580486 800558886 /nfs/dbraw/zinc/55/88/86/800558886.db2.gz CXLNMBJJTLDOMZ-GOSISDBHSA-N 2 1 320.433 2.059 20 10 DECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc2ccccc2c1O ZINC001231880492 801744383 /nfs/dbraw/zinc/74/43/83/801744383.db2.gz GVXQMDCOWHOPIP-UHFFFAOYSA-N 2 1 313.445 2.225 20 10 DECDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233767463 802203475 /nfs/dbraw/zinc/20/34/75/802203475.db2.gz CLGAVGZQLUYIBV-TXEJJXNPSA-N 2 1 316.323 2.284 20 10 DECDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233767463 802203480 /nfs/dbraw/zinc/20/34/80/802203480.db2.gz CLGAVGZQLUYIBV-TXEJJXNPSA-N 2 1 316.323 2.284 20 10 DECDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233767463 802203486 /nfs/dbraw/zinc/20/34/86/802203486.db2.gz CLGAVGZQLUYIBV-TXEJJXNPSA-N 2 1 316.323 2.284 20 10 DECDMP Cc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001234982275 1084259213 /nfs/dbraw/zinc/25/92/13/1084259213.db2.gz OONBJZYHIZZVQT-FQEVSTJZSA-N 2 1 324.472 2.231 20 10 DECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001319839996 1140757190 /nfs/dbraw/zinc/75/71/90/1140757190.db2.gz RGZSQIZDBAMSIS-GOEBONIOSA-N 2 1 321.440 2.235 20 10 DECDMP CO[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320975724 1141014334 /nfs/dbraw/zinc/01/43/34/1141014334.db2.gz RQTFWQJCUQEWEL-HOTGVXAUSA-N 2 1 321.440 2.235 20 10 DECDMP CCC[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001324458553 1142080584 /nfs/dbraw/zinc/08/05/84/1142080584.db2.gz BUVSOGLMPXAHMB-MRXNPFEDSA-N 2 1 323.456 2.482 20 10 DECDMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1O ZINC000185210532 402334673 /nfs/dbraw/zinc/33/46/73/402334673.db2.gz QXZPEHQAJSRTCH-QGZVFWFLSA-N 2 1 305.466 2.461 20 10 DECDMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1O ZINC000185210518 402334831 /nfs/dbraw/zinc/33/48/31/402334831.db2.gz QXZPEHQAJSRTCH-KRWDZBQOSA-N 2 1 305.466 2.461 20 10 DECDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173428408 402697197 /nfs/dbraw/zinc/69/71/97/402697197.db2.gz BMRLGNADBOQBAG-CYBMUJFWSA-N 2 1 306.406 2.285 20 10 DECDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173428408 402697198 /nfs/dbraw/zinc/69/71/98/402697198.db2.gz BMRLGNADBOQBAG-CYBMUJFWSA-N 2 1 306.406 2.285 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514770 402744297 /nfs/dbraw/zinc/74/42/97/402744297.db2.gz JURIAJCXJJRZEE-GDBMZVCRSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000174514770 402744301 /nfs/dbraw/zinc/74/43/01/402744301.db2.gz JURIAJCXJJRZEE-GDBMZVCRSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000174514779 402744758 /nfs/dbraw/zinc/74/47/58/402744758.db2.gz JURIAJCXJJRZEE-GOEBONIOSA-N 2 1 321.440 2.235 20 10 DECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000174514779 402744759 /nfs/dbraw/zinc/74/47/59/402744759.db2.gz JURIAJCXJJRZEE-GOEBONIOSA-N 2 1 321.440 2.235 20 10 DECDMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c1OC ZINC000892492694 625891080 /nfs/dbraw/zinc/89/10/80/625891080.db2.gz SYSRJSHYIXGUEA-UHFFFAOYSA-N 2 1 306.406 2.126 20 10 DECDMP Cc1cc(N(C)C)ccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000840947533 650393306 /nfs/dbraw/zinc/39/33/06/650393306.db2.gz VUFSFYLYNPYLOH-UHFFFAOYSA-N 2 1 320.525 2.376 20 10 DECDMP CCOc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(O)c1 ZINC000841041019 650412136 /nfs/dbraw/zinc/41/21/36/650412136.db2.gz ALNFDPKEVTYYLD-UHFFFAOYSA-N 2 1 315.417 2.455 20 10 DECDMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC000841104067 650432308 /nfs/dbraw/zinc/43/23/08/650432308.db2.gz MYFDALYZQBWBIF-HOCLYGCPSA-N 2 1 308.397 2.250 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000775735928 642086702 /nfs/dbraw/zinc/08/67/02/642086702.db2.gz GKFHMGSCSJTXKZ-HKUYNNGSSA-N 2 1 317.477 2.031 20 10 DECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903732409 643442825 /nfs/dbraw/zinc/44/28/25/643442825.db2.gz DPNFPTDSMUZJPH-SFHVURJKSA-N 2 1 317.477 2.345 20 10 DECDMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804219 643468332 /nfs/dbraw/zinc/46/83/32/643468332.db2.gz BBHNMPAOUNIKFC-IEBWSBKVSA-N 2 1 315.461 2.227 20 10 DECDMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804219 643468336 /nfs/dbraw/zinc/46/83/36/643468336.db2.gz BBHNMPAOUNIKFC-IEBWSBKVSA-N 2 1 315.461 2.227 20 10 DECDMP C[N@@H+](CCCCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789762798 643772495 /nfs/dbraw/zinc/77/24/95/643772495.db2.gz UBANCHZEBKVGLG-UHFFFAOYSA-N 2 1 305.466 2.033 20 10 DECDMP CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000801599253 645421415 /nfs/dbraw/zinc/42/14/15/645421415.db2.gz HHTNAUOXWSHETJ-QGZVFWFLSA-N 2 1 306.450 2.451 20 10 DECDMP CCCC[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000801599253 645421417 /nfs/dbraw/zinc/42/14/17/645421417.db2.gz HHTNAUOXWSHETJ-QGZVFWFLSA-N 2 1 306.450 2.451 20 10 DECDMP COc1c(O)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000809735640 646270651 /nfs/dbraw/zinc/27/06/51/646270651.db2.gz MTAJJGZGKQLDLF-GFCCVEGCSA-N 2 1 323.393 2.129 20 10 DECDMP COc1c(O)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000809735640 646270655 /nfs/dbraw/zinc/27/06/55/646270655.db2.gz MTAJJGZGKQLDLF-GFCCVEGCSA-N 2 1 323.393 2.129 20 10 DECDMP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(O)ccc(Cl)c1F ZINC000809741517 646273042 /nfs/dbraw/zinc/27/30/42/646273042.db2.gz PDNKUJHYRRSPGE-UHFFFAOYSA-N 2 1 317.836 2.110 20 10 DECDMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC000817889080 647372135 /nfs/dbraw/zinc/37/21/35/647372135.db2.gz RVMDMLITTYKROF-DLTLXFJOSA-N 2 1 321.440 2.409 20 10 DECDMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817939348 647387776 /nfs/dbraw/zinc/38/77/76/647387776.db2.gz DGIIYCIAQMPALB-ZDUSSCGKSA-N 2 1 311.857 2.437 20 10 DECDMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000824948002 648676554 /nfs/dbraw/zinc/67/65/54/648676554.db2.gz AKJJGDQOLUNCGW-OKILXGFUSA-N 2 1 304.434 2.350 20 10 DECDMP CCc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827856957 649095606 /nfs/dbraw/zinc/09/56/06/649095606.db2.gz UQCWNMHOVSBPSQ-QGZVFWFLSA-N 2 1 306.450 2.497 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902209 651181097 /nfs/dbraw/zinc/18/10/97/651181097.db2.gz LBFLYGGKEWKJTL-XPKDYRNWSA-N 2 1 308.397 2.250 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902209 651181098 /nfs/dbraw/zinc/18/10/98/651181098.db2.gz LBFLYGGKEWKJTL-XPKDYRNWSA-N 2 1 308.397 2.250 20 10 DECDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846142976 651310671 /nfs/dbraw/zinc/31/06/71/651310671.db2.gz GSUATTWGEJPHCZ-ZDUSSCGKSA-N 2 1 308.422 2.162 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873264417 689197421 /nfs/dbraw/zinc/19/74/21/689197421.db2.gz PDMYKPUSKMLXTB-RJZRQDKASA-N 2 1 318.417 2.360 20 10 DECDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743268 690212079 /nfs/dbraw/zinc/21/20/79/690212079.db2.gz JHYIFSZVLZIWEM-IEBWSBKVSA-N 2 1 315.461 2.049 20 10 DECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743268 690212081 /nfs/dbraw/zinc/21/20/81/690212081.db2.gz JHYIFSZVLZIWEM-IEBWSBKVSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743268 690212083 /nfs/dbraw/zinc/21/20/83/690212083.db2.gz JHYIFSZVLZIWEM-IEBWSBKVSA-N 2 1 315.461 2.049 20 10 DECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000877743268 690212086 /nfs/dbraw/zinc/21/20/86/690212086.db2.gz JHYIFSZVLZIWEM-IEBWSBKVSA-N 2 1 315.461 2.049 20 10 DECDMP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886595062 692123462 /nfs/dbraw/zinc/12/34/62/692123462.db2.gz ZVXWCICMPBUSMH-UONOGXRCSA-N 2 1 309.429 2.208 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2F)CC1 ZINC001119450426 795303558 /nfs/dbraw/zinc/30/35/58/795303558.db2.gz IEAHDWUGOXKOFK-OAHLLOKOSA-N 2 1 309.404 2.369 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CF)C3)cc2F)CC1 ZINC001119450426 795303566 /nfs/dbraw/zinc/30/35/66/795303566.db2.gz IEAHDWUGOXKOFK-OAHLLOKOSA-N 2 1 309.404 2.369 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253555 796350619 /nfs/dbraw/zinc/35/06/19/796350619.db2.gz YACKXLOVKGAOME-GOSISDBHSA-N 2 1 322.449 2.199 20 10 DECDMP C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407744 796372746 /nfs/dbraw/zinc/37/27/46/796372746.db2.gz CCTSJDNVBVXGMD-FUHWJXTLSA-N 2 1 317.477 2.031 20 10 DECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H](C)C3)cc2)CC1 ZINC001140301892 796504165 /nfs/dbraw/zinc/50/41/65/796504165.db2.gz CKWMNIABCREUHS-KRWDZBQOSA-N 2 1 317.477 2.297 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)ccc21 ZINC001141144249 796638856 /nfs/dbraw/zinc/63/88/56/796638856.db2.gz XEQFVSMLXTZISB-UHFFFAOYSA-N 2 1 315.461 2.433 20 10 DECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1OC ZINC001205651122 800393246 /nfs/dbraw/zinc/39/32/46/800393246.db2.gz AGVYUQVHCLJMAP-OLZOCXBDSA-N 2 1 308.422 2.216 20 10 DECDMP Oc1ccc2ccccc2c1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507191 802698432 /nfs/dbraw/zinc/69/84/32/802698432.db2.gz QALUTIHEZASEAE-ROUUACIJSA-N 2 1 311.429 2.071 20 10 DECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)O1 ZINC001335507284 1150437540 /nfs/dbraw/zinc/43/75/40/1150437540.db2.gz OTKCGBWHFAKKIB-CPUCHLNUSA-N 2 1 321.440 2.233 20 10 DECDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N)cc2)[C@H](C)C1 ZINC001578107877 1066986539 /nfs/dbraw/zinc/98/65/39/1066986539.db2.gz MCFGNQOIEPJENP-QAPCUYQASA-N 2 1 305.466 2.495 20 10 DECDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)[C@@H](C)C1 ZINC001578107875 1066986613 /nfs/dbraw/zinc/98/66/13/1066986613.db2.gz MCFGNQOIEPJENP-MAUKXSAKSA-N 2 1 305.466 2.495 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)c(OC)cc1O ZINC001276790903 1083612765 /nfs/dbraw/zinc/61/27/65/1083612765.db2.gz WVUPENVXCPYYMO-AGUYFDCRSA-N 2 1 306.406 2.124 20 10 DECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC001276790903 1083612771 /nfs/dbraw/zinc/61/27/71/1083612771.db2.gz WVUPENVXCPYYMO-AGUYFDCRSA-N 2 1 306.406 2.124 20 10 DECDMP COc1cc(O)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276790873 1083613301 /nfs/dbraw/zinc/61/33/01/1083613301.db2.gz VWRTWBUYFRJPBF-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC001276790873 1083613305 /nfs/dbraw/zinc/61/33/05/1083613305.db2.gz VWRTWBUYFRJPBF-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276790873 1083613309 /nfs/dbraw/zinc/61/33/09/1083613309.db2.gz VWRTWBUYFRJPBF-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001276790873 1083613312 /nfs/dbraw/zinc/61/33/12/1083613312.db2.gz VWRTWBUYFRJPBF-GOSISDBHSA-N 2 1 320.433 2.327 20 10 DECDMP COc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc(O)c1O ZINC001275963562 1092383771 /nfs/dbraw/zinc/38/37/71/1092383771.db2.gz YYOFVPDYSRCHSF-UHFFFAOYSA-N 2 1 306.406 2.024 20 10 DECDMP CN1CCOc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc21 ZINC001237401488 1138611481 /nfs/dbraw/zinc/61/14/81/1138611481.db2.gz DBKPOESHBFZODI-HZPDHXFCSA-N 2 1 301.434 2.089 20 10 DECDMP CN1CCOc2cc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc21 ZINC001237401488 1138611489 /nfs/dbraw/zinc/61/14/89/1138611489.db2.gz DBKPOESHBFZODI-HZPDHXFCSA-N 2 1 301.434 2.089 20 10 DECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCOC1 ZINC001319828560 1140749268 /nfs/dbraw/zinc/74/92/68/1140749268.db2.gz JVWLTFKGJNKISU-INIZCTEOSA-N 2 1 321.440 2.046 20 10 DECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCOC1 ZINC001319828560 1140749283 /nfs/dbraw/zinc/74/92/83/1140749283.db2.gz JVWLTFKGJNKISU-INIZCTEOSA-N 2 1 321.440 2.046 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(C)CCCO3)cc2F)CC1 ZINC001320082435 1140819501 /nfs/dbraw/zinc/81/95/01/1140819501.db2.gz ZNIUSCMJQWDFPV-SFHVURJKSA-N 2 1 321.440 2.236 20 10 DECDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)O ZINC001324222274 1142034801 /nfs/dbraw/zinc/03/48/01/1142034801.db2.gz NKSJZRURUZQXER-KRWDZBQOSA-N 2 1 323.456 2.217 20 10 DECDMP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000092165833 193169534 /nfs/dbraw/zinc/16/95/34/193169534.db2.gz LXVUQKZGNXPOFE-UHFFFAOYSA-N 2 1 306.406 2.427 20 10 DECDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000092165833 193169536 /nfs/dbraw/zinc/16/95/36/193169536.db2.gz LXVUQKZGNXPOFE-UHFFFAOYSA-N 2 1 306.406 2.427 20 10 DECDMP COc1cc(O)c(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000271981837 402887741 /nfs/dbraw/zinc/88/77/41/402887741.db2.gz DWGDKUSVXGEQCY-UHFFFAOYSA-N 2 1 305.378 2.094 20 10 DECDMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635398 403524995 /nfs/dbraw/zinc/52/49/95/403524995.db2.gz LUPRZYOBXJGIPN-QGZVFWFLSA-N 2 1 304.390 2.039 20 10 DECDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635398 403524997 /nfs/dbraw/zinc/52/49/97/403524997.db2.gz LUPRZYOBXJGIPN-QGZVFWFLSA-N 2 1 304.390 2.039 20 10 DECDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635398 403524999 /nfs/dbraw/zinc/52/49/99/403524999.db2.gz LUPRZYOBXJGIPN-QGZVFWFLSA-N 2 1 304.390 2.039 20 10 DECDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000293635398 403525002 /nfs/dbraw/zinc/52/50/02/403525002.db2.gz LUPRZYOBXJGIPN-QGZVFWFLSA-N 2 1 304.390 2.039 20 10 DECDMP CCOc1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000290105378 404043208 /nfs/dbraw/zinc/04/32/08/404043208.db2.gz HWLNIOMTOVDHDA-UHFFFAOYSA-N 2 1 323.481 2.106 20 10 DECDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375774411 337019253 /nfs/dbraw/zinc/01/92/53/337019253.db2.gz BRKAFRHUSJYOMY-GOSISDBHSA-N 2 1 317.477 2.439 20 10 DECDMP COCC[NH+]1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835034950 649869459 /nfs/dbraw/zinc/86/94/59/649869459.db2.gz CIVHHSQQFBKOAV-SNAWJCMRSA-N 2 1 317.477 2.466 20 10 DECDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142450 624795296 /nfs/dbraw/zinc/79/52/96/624795296.db2.gz FRWCOSYIOJUKDV-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142450 624795298 /nfs/dbraw/zinc/79/52/98/624795298.db2.gz FRWCOSYIOJUKDV-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142450 624795299 /nfs/dbraw/zinc/79/52/99/624795299.db2.gz FRWCOSYIOJUKDV-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142450 624795300 /nfs/dbraw/zinc/79/53/00/624795300.db2.gz FRWCOSYIOJUKDV-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892142450 624795301 /nfs/dbraw/zinc/79/53/01/624795301.db2.gz FRWCOSYIOJUKDV-ZDUSSCGKSA-N 2 1 308.422 2.183 20 10 DECDMP Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922386448 636152269 /nfs/dbraw/zinc/15/22/69/636152269.db2.gz HHVPQKLSKQOHIY-YSHGAJCASA-N 2 1 318.461 2.270 20 10 DECDMP COc1cc(O)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000839181910 637811467 /nfs/dbraw/zinc/81/14/67/637811467.db2.gz KIJODZFCQIWWMX-ZDUSSCGKSA-N 2 1 308.422 2.231 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000841088537 650427796 /nfs/dbraw/zinc/42/77/96/650427796.db2.gz ZAJBADYMVLTNGW-UKRRQHHQSA-N 2 1 320.433 2.373 20 10 DECDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000841099346 650430463 /nfs/dbraw/zinc/43/04/63/650430463.db2.gz ILBVHYHWNCLJPP-DOTOQJQBSA-N 2 1 308.397 2.250 20 10 DECDMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775632982 642069710 /nfs/dbraw/zinc/06/97/10/642069710.db2.gz DMWRQSLEVPTQOD-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCO1 ZINC000775664495 642075811 /nfs/dbraw/zinc/07/58/11/642075811.db2.gz WJCKEEGSMFRCMF-LJQANCHMSA-N 2 1 317.477 2.439 20 10 DECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCO)C3)cc2)CC1 ZINC000775682669 642079424 /nfs/dbraw/zinc/07/94/24/642079424.db2.gz ZZVOLHSNMPWJOR-KRWDZBQOSA-N 2 1 317.477 2.033 20 10 DECDMP CCC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775709601 642082747 /nfs/dbraw/zinc/08/27/47/642082747.db2.gz VHCOEDHFXLYMQI-IBGZPJMESA-N 2 1 317.477 2.439 20 10 DECDMP CCOC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775733510 642086501 /nfs/dbraw/zinc/08/65/01/642086501.db2.gz FRLRSDMUWKOELR-GOSISDBHSA-N 2 1 317.477 2.297 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)[C@H](C)O1 ZINC000783738423 643044738 /nfs/dbraw/zinc/04/47/38/643044738.db2.gz UXWQWESDYFMURL-ZACQAIPSSA-N 2 1 317.477 2.436 20 10 DECDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045053 650875810 /nfs/dbraw/zinc/87/58/10/650875810.db2.gz HEYRCDBFXUDNMP-QAPCUYQASA-N 2 1 303.450 2.225 20 10 DECDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045053 650875813 /nfs/dbraw/zinc/87/58/13/650875813.db2.gz HEYRCDBFXUDNMP-QAPCUYQASA-N 2 1 303.450 2.225 20 10 DECDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051031 650877965 /nfs/dbraw/zinc/87/79/65/650877965.db2.gz DENGXNDNURXTNG-WBVHZDCISA-N 2 1 303.450 2.082 20 10 DECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000817966323 647395834 /nfs/dbraw/zinc/39/58/34/647395834.db2.gz LJOJJAZHYAEPFG-SJKOYZFVSA-N 2 1 306.406 2.219 20 10 DECDMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1O ZINC000817983969 647400615 /nfs/dbraw/zinc/40/06/15/647400615.db2.gz SQFGHELNZGSACT-QQFBHYJXSA-N 2 1 303.450 2.259 20 10 DECDMP CCOc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827856602 649095530 /nfs/dbraw/zinc/09/55/30/649095530.db2.gz QOYAAULXRYPUNT-MRXNPFEDSA-N 2 1 322.449 2.334 20 10 DECDMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185021820 649423541 /nfs/dbraw/zinc/42/35/41/649423541.db2.gz WXXRTGHQWYFKMG-KGLIPLIRSA-N 2 1 309.429 2.208 20 10 DECDMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000733329012 649543785 /nfs/dbraw/zinc/54/37/85/649543785.db2.gz KAXKEHRNNMJVJH-KRWDZBQOSA-N 2 1 320.433 2.134 20 10 DECDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000733330817 649546354 /nfs/dbraw/zinc/54/63/54/649546354.db2.gz OTOGKXSVCUFWAY-IBGZPJMESA-N 2 1 317.477 2.486 20 10 DECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000844902299 651180913 /nfs/dbraw/zinc/18/09/13/651180913.db2.gz PALOPAKRFDGCCH-JKSUJKDBSA-N 2 1 305.466 2.451 20 10 DECDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000844902892 651181008 /nfs/dbraw/zinc/18/10/08/651181008.db2.gz WLQUCVWGOMTDLM-GXTWGEPZSA-N 2 1 308.422 2.359 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902206 651181182 /nfs/dbraw/zinc/18/11/82/651181182.db2.gz LBFLYGGKEWKJTL-BJJXKVORSA-N 2 1 308.397 2.250 20 10 DECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC000844902206 651181183 /nfs/dbraw/zinc/18/11/83/651181183.db2.gz LBFLYGGKEWKJTL-BJJXKVORSA-N 2 1 308.397 2.250 20 10 DECDMP CCc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000848920131 651562279 /nfs/dbraw/zinc/56/22/79/651562279.db2.gz XYFBVOKZGFCSLQ-UHFFFAOYSA-N 2 1 304.434 2.251 20 10 DECDMP CN(C)c1ccc([C@H]([NH3+])CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000849350779 651655355 /nfs/dbraw/zinc/65/53/55/651655355.db2.gz VZGJSRDRZUZZEY-HXUWFJFHSA-N 2 1 324.472 2.188 20 10 DECDMP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000854217676 652658908 /nfs/dbraw/zinc/65/89/08/652658908.db2.gz OPLGFWJTGFLPQW-DAYGRLMNSA-N 2 1 303.450 2.394 20 10 DECDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119001 685276503 /nfs/dbraw/zinc/27/65/03/685276503.db2.gz IXZJXJIZROVLGE-CRAIPNDOSA-N 2 1 305.466 2.250 20 10 DECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC[NH+](C)CC1 ZINC000093088899 684048189 /nfs/dbraw/zinc/04/81/89/684048189.db2.gz FTYWKRYTYBYLHL-UHFFFAOYSA-N 2 1 317.477 2.297 20 10 DECDMP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863645704 686539524 /nfs/dbraw/zinc/53/95/24/686539524.db2.gz KVFNSTWJULFRKW-WCQYABFASA-N 2 1 318.339 2.360 20 10 DECDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863645704 686539526 /nfs/dbraw/zinc/53/95/26/686539526.db2.gz KVFNSTWJULFRKW-WCQYABFASA-N 2 1 318.339 2.360 20 10 DECDMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(O)c1 ZINC000877523297 690140152 /nfs/dbraw/zinc/14/01/52/690140152.db2.gz XDLUBPXWCDVQJB-UHFFFAOYSA-N 2 1 305.466 2.158 20 10 DECDMP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886522319 692100656 /nfs/dbraw/zinc/10/06/56/692100656.db2.gz HDTQEMWXQQMCDQ-GJZGRUSLSA-N 2 1 323.456 2.456 20 10 DECDMP CC(C)OCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001348526037 1151166726 /nfs/dbraw/zinc/16/67/26/1151166726.db2.gz UFBBZVKPEGFZKU-UHFFFAOYSA-N 2 1 309.429 2.092 20 10 DECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCCO3)cc2F)CC1 ZINC001177570103 794701249 /nfs/dbraw/zinc/70/12/49/794701249.db2.gz ANPZNRTYTHFDMT-MRXNPFEDSA-N 2 1 321.440 2.236 20 10 DECDMP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001116166899 794942111 /nfs/dbraw/zinc/94/21/11/794942111.db2.gz ZXAUUYWNCPPZTO-SFHVURJKSA-N 2 1 323.456 2.338 20 10 DECDMP COc1cc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255105 796349864 /nfs/dbraw/zinc/34/98/64/796349864.db2.gz NALNSXZANAVEHC-CZUORRHYSA-N 2 1 322.449 2.055 20 10 DECDMP COc1cc(C[N@@H+](C)CC2CCOCC2)cc(C[NH+](C)C)c1O ZINC001139256228 796350478 /nfs/dbraw/zinc/35/04/78/796350478.db2.gz XAYQSVGIFCPWIN-UHFFFAOYSA-N 2 1 322.449 2.321 20 10 DECDMP COc1cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139259016 796351426 /nfs/dbraw/zinc/35/14/26/796351426.db2.gz DVDQQXXHDGIOFO-GDBMZVCRSA-N 2 1 320.433 2.073 20 10 DECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@]1(C)O ZINC001139409274 796372583 /nfs/dbraw/zinc/37/25/83/796372583.db2.gz YWJFQIINJFCISI-APWZRJJASA-N 2 1 317.477 2.031 20 10 DECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@H]1O ZINC001139407897 796372789 /nfs/dbraw/zinc/37/27/89/796372789.db2.gz FNKYZVNRGFBRPZ-LPHOPBHVSA-N 2 1 317.477 2.031 20 10 DECDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205274704 800335412 /nfs/dbraw/zinc/33/54/12/800335412.db2.gz ZZQVWGNMUPBTFC-LJQANCHMSA-N 2 1 317.477 2.351 20 10 DECDMP CC(C)c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222511134 802698682 /nfs/dbraw/zinc/69/86/82/802698682.db2.gz PWNYXOHGUOXJGP-IRXDYDNUSA-N 2 1 303.450 2.041 20 10 DECDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001330842092 1149312444 /nfs/dbraw/zinc/31/24/44/1149312444.db2.gz SXJQVVDWESROBX-SFHVURJKSA-N 2 1 319.493 2.469 20 10 DECDMP CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331082909 1149378311 /nfs/dbraw/zinc/37/83/11/1149378311.db2.gz HZVZLQSJSUJTTI-HOCLYGCPSA-N 2 1 323.456 2.217 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001275585340 1091888194 /nfs/dbraw/zinc/88/81/94/1091888194.db2.gz SDZZUQWFFCJDJF-SFHVURJKSA-N 2 1 303.450 2.376 20 10 DECDMP CN(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001275585340 1091888199 /nfs/dbraw/zinc/88/81/99/1091888199.db2.gz SDZZUQWFFCJDJF-SFHVURJKSA-N 2 1 303.450 2.376 20 10 DECDMP CN(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001275585340 1091888206 /nfs/dbraw/zinc/88/82/06/1091888206.db2.gz SDZZUQWFFCJDJF-SFHVURJKSA-N 2 1 303.450 2.376 20 10 DECDMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([O-])c1Cl ZINC001236803240 1138434050 /nfs/dbraw/zinc/43/40/50/1138434050.db2.gz XPNMTTIJDIZBCN-YPMHNXCESA-N 2 1 310.825 2.438 20 10 DECDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246789969 1141060391 /nfs/dbraw/zinc/06/03/91/1141060391.db2.gz KMTNJCLWJGPRMQ-CRAIPNDOSA-N 2 1 303.450 2.096 20 10 DECDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)c(C)c1 ZINC001246933901 1141138719 /nfs/dbraw/zinc/13/87/19/1141138719.db2.gz LABLABAFXZZCOC-JKSUJKDBSA-N 2 1 303.450 2.266 20 10 DECDMP CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325516179 1147932784 /nfs/dbraw/zinc/93/27/84/1147932784.db2.gz WLCCXSZITNSUBU-AEFFLSMTSA-N 2 1 321.440 2.235 20 10 DECDMP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000378371930 533483404 /nfs/dbraw/zinc/48/34/04/533483404.db2.gz QOHZDQKTHYMCEC-BFYDXBDKSA-N 2 1 320.433 2.084 20 10 DECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273303919 130104824 /nfs/dbraw/zinc/10/48/24/130104824.db2.gz CGPJAMAWEINYSQ-STQMWFEESA-N 2 1 306.406 2.171 20 10 DECDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)c(C)cc3O)C2)CC1 ZINC000106854862 402217967 /nfs/dbraw/zinc/21/79/67/402217967.db2.gz XSDWQXXZHNHDHS-SFHVURJKSA-N 2 1 317.477 2.221 20 10 DECDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000270021830 403178612 /nfs/dbraw/zinc/17/86/12/403178612.db2.gz FODBXNFPLREFSL-AWEZNQCLSA-N 2 1 318.417 2.285 20 10 DECDMP COc1ccc(N2CCC([NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC000363545860 404180494 /nfs/dbraw/zinc/18/04/94/404180494.db2.gz NFUXQJQAKNDHCG-UHFFFAOYSA-N 2 1 303.450 2.348 20 10 DECDMP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000375015060 534711008 /nfs/dbraw/zinc/71/10/08/534711008.db2.gz CAFBDXBHQLFGDZ-SJLPKXTDSA-N 2 1 317.477 2.158 20 10 DECDMP COc1cc(C)cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1O ZINC000894259618 636591893 /nfs/dbraw/zinc/59/18/93/636591893.db2.gz DWLFPADMSVIIJH-MRXNPFEDSA-N 2 1 322.449 2.036 20 10 DECDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000769513575 641253840 /nfs/dbraw/zinc/25/38/40/641253840.db2.gz BWSVJRUBIKGXAF-MRXNPFEDSA-N 2 1 322.449 2.334 20 10 DECDMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701992 642081687 /nfs/dbraw/zinc/08/16/87/642081687.db2.gz KHGXOADJCAOKEA-APWZRJJASA-N 2 1 317.477 2.174 20 10 DECDMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804218 643468883 /nfs/dbraw/zinc/46/88/83/643468883.db2.gz BBHNMPAOUNIKFC-HKUYNNGSSA-N 2 1 315.461 2.227 20 10 DECDMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903804218 643468886 /nfs/dbraw/zinc/46/88/86/643468886.db2.gz BBHNMPAOUNIKFC-HKUYNNGSSA-N 2 1 315.461 2.227 20 10 DECDMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045054 650875749 /nfs/dbraw/zinc/87/57/49/650875749.db2.gz HEYRCDBFXUDNMP-YJBOKZPZSA-N 2 1 303.450 2.225 20 10 DECDMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843045054 650875750 /nfs/dbraw/zinc/87/57/50/650875750.db2.gz HEYRCDBFXUDNMP-YJBOKZPZSA-N 2 1 303.450 2.225 20 10 DECDMP COc1c(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123884 650900545 /nfs/dbraw/zinc/90/05/45/650900545.db2.gz RHCXDNJTNNFVQU-GFCCVEGCSA-N 2 1 309.366 2.012 20 10 DECDMP COc1c(O)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000843123884 650900546 /nfs/dbraw/zinc/90/05/46/650900546.db2.gz RHCXDNJTNNFVQU-GFCCVEGCSA-N 2 1 309.366 2.012 20 10 DECDMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817965106 647395918 /nfs/dbraw/zinc/39/59/18/647395918.db2.gz PQYPGOQVKJLICK-CYBMUJFWSA-N 2 1 307.413 2.194 20 10 DECDMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1O ZINC000817983626 647400740 /nfs/dbraw/zinc/40/07/40/647400740.db2.gz OYBYIBRWWCQAFR-IUDNXUCKSA-N 2 1 321.440 2.398 20 10 DECDMP CN(C)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000830652010 649473911 /nfs/dbraw/zinc/47/39/11/649473911.db2.gz LCYAPNMSQKLHBA-UHFFFAOYSA-N 2 1 303.450 2.049 20 10 DECDMP CCc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000848884504 651543660 /nfs/dbraw/zinc/54/36/60/651543660.db2.gz MCSXHORIKHMFCK-SFHVURJKSA-N 2 1 317.477 2.166 20 10 DECDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000863484004 686508863 /nfs/dbraw/zinc/50/88/63/686508863.db2.gz GIXHWPWLDGGLMA-GDBMZVCRSA-N 2 1 303.450 2.394 20 10 DECDMP CCC1([NH+](C)C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000872671961 689061881 /nfs/dbraw/zinc/06/18/81/689061881.db2.gz ZKTLZKVYEYFPLT-INIZCTEOSA-N 2 1 320.433 2.124 20 10 DECDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876929436 689975394 /nfs/dbraw/zinc/97/53/94/689975394.db2.gz WXTVLTJUKOSBEU-UHFFFAOYSA-N 2 1 305.466 2.208 20 10 DECDMP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1c(O)cccc1F ZINC000886526210 692101972 /nfs/dbraw/zinc/10/19/72/692101972.db2.gz HMRIUWVNBTXBBL-ZIAGYGMSSA-N 2 1 321.440 2.350 20 10 DECDMP