smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188220 1091526061 /nfs/dbraw/zinc/52/60/61/1091526061.db2.gz UUQGDYPODMOERF-IRXDYDNUSA-N 1 3 324.403 3.044 20 5 DGBDHO N[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188220 1091526063 /nfs/dbraw/zinc/52/60/63/1091526063.db2.gz UUQGDYPODMOERF-IRXDYDNUSA-N 1 3 324.403 3.044 20 5 DGBDHO CC(C)[C@@H](CN[C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078059 240006946 /nfs/dbraw/zinc/00/69/46/240006946.db2.gz UAYIHTJJZUOTTE-MAUKXSAKSA-N 1 3 319.449 3.236 20 5 DGBDHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543775 241165403 /nfs/dbraw/zinc/16/54/03/241165403.db2.gz CRQLBOKWMBNBTN-SJORKVTESA-N 1 3 317.433 3.259 20 5 DGBDHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543775 241165404 /nfs/dbraw/zinc/16/54/04/241165404.db2.gz CRQLBOKWMBNBTN-SJORKVTESA-N 1 3 317.433 3.259 20 5 DGBDHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621823 244056754 /nfs/dbraw/zinc/05/67/54/244056754.db2.gz ZCCAKTPYIUHCFN-XBNGYDHASA-N 1 3 317.433 3.320 20 5 DGBDHO CC[N@H+]1CCC[C@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621823 244056757 /nfs/dbraw/zinc/05/67/57/244056757.db2.gz ZCCAKTPYIUHCFN-XBNGYDHASA-N 1 3 317.433 3.320 20 5 DGBDHO CCN1CCC[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621823 244056761 /nfs/dbraw/zinc/05/67/61/244056761.db2.gz ZCCAKTPYIUHCFN-XBNGYDHASA-N 1 3 317.433 3.320 20 5 DGBDHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621817 244057211 /nfs/dbraw/zinc/05/72/11/244057211.db2.gz ZCCAKTPYIUHCFN-IUYQLWOBSA-N 1 3 317.433 3.320 20 5 DGBDHO CC[N@H+]1CCC[C@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621817 244057214 /nfs/dbraw/zinc/05/72/14/244057214.db2.gz ZCCAKTPYIUHCFN-IUYQLWOBSA-N 1 3 317.433 3.320 20 5 DGBDHO CCN1CCC[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621817 244057219 /nfs/dbraw/zinc/05/72/19/244057219.db2.gz ZCCAKTPYIUHCFN-IUYQLWOBSA-N 1 3 317.433 3.320 20 5 DGBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCC[N@H+](C)C1CC1 ZINC000595052968 400091673 /nfs/dbraw/zinc/09/16/73/400091673.db2.gz UOYNQVWTRPXLSA-CYBMUJFWSA-N 1 3 321.421 3.128 20 5 DGBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCC[N@@H+](C)C1CC1 ZINC000595052968 400091677 /nfs/dbraw/zinc/09/16/77/400091677.db2.gz UOYNQVWTRPXLSA-CYBMUJFWSA-N 1 3 321.421 3.128 20 5 DGBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000589188961 400272257 /nfs/dbraw/zinc/27/22/57/400272257.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 1 3 315.417 3.165 20 5 DGBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000589188961 400272260 /nfs/dbraw/zinc/27/22/60/400272260.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 1 3 315.417 3.165 20 5 DGBDHO C[NH+](C)CCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602525822 400488807 /nfs/dbraw/zinc/48/88/07/400488807.db2.gz SFBFXQQKZQTIEB-UHFFFAOYSA-N 1 3 319.327 3.045 20 5 DGBDHO [NH3+]C1(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738034 401165569 /nfs/dbraw/zinc/16/55/69/401165569.db2.gz ATGZTKQSGUJSJX-HOCLYGCPSA-N 1 3 317.433 3.167 20 5 DGBDHO [NH3+]CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000346686941 264079938 /nfs/dbraw/zinc/07/99/38/264079938.db2.gz LBAUPFSBCKOAQA-UHFFFAOYSA-N 1 3 315.373 3.026 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152427074 432332878 /nfs/dbraw/zinc/33/28/78/432332878.db2.gz SQRNRFVDWRUYIO-ZIAGYGMSSA-N 1 3 303.406 3.038 20 5 DGBDHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CN(C)C ZINC000425924540 433373476 /nfs/dbraw/zinc/37/34/76/433373476.db2.gz PPPLCZUDKJXANU-BFYDXBDKSA-N 1 3 319.449 3.093 20 5 DGBDHO CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812815 433854625 /nfs/dbraw/zinc/85/46/25/433854625.db2.gz RXICCJOOQJQHQK-GOEBONIOSA-N 1 3 319.449 3.413 20 5 DGBDHO CCOc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423279586 434335697 /nfs/dbraw/zinc/33/56/97/434335697.db2.gz ROGFCCZFMWFMSM-CFVMTHIKSA-N 1 3 321.421 3.162 20 5 DGBDHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023782 435511624 /nfs/dbraw/zinc/51/16/24/435511624.db2.gz AHCRXIFDEIKCGJ-KBXCAEBGSA-N 1 3 317.433 3.294 20 5 DGBDHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023782 435511628 /nfs/dbraw/zinc/51/16/28/435511628.db2.gz AHCRXIFDEIKCGJ-KBXCAEBGSA-N 1 3 317.433 3.294 20 5 DGBDHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000183952647 323352137 /nfs/dbraw/zinc/35/21/37/323352137.db2.gz TWUYJLOERRGPLQ-AWEZNQCLSA-N 1 3 305.422 3.367 20 5 DGBDHO CC1([NH+]2CCC2)CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000922847943 621108109 /nfs/dbraw/zinc/10/81/09/621108109.db2.gz ZKNAVKGUUHXAIT-UHFFFAOYSA-N 1 3 321.396 3.231 20 5 DGBDHO Cc1c(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000779197863 623740874 /nfs/dbraw/zinc/74/08/74/623740874.db2.gz MNCPFAUCVPVBQS-INIZCTEOSA-N 1 3 307.438 3.359 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248493 624463646 /nfs/dbraw/zinc/46/36/46/624463646.db2.gz TZCIZXUKJAJRLC-OAHLLOKOSA-N 1 3 317.433 3.464 20 5 DGBDHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000817963511 627977140 /nfs/dbraw/zinc/97/71/40/627977140.db2.gz SQGPUOUDSUFIPD-VXGBXAGGSA-N 1 3 314.389 3.048 20 5 DGBDHO CC[NH+]1CCC(CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443954 655784859 /nfs/dbraw/zinc/78/48/59/655784859.db2.gz AUKQUBZDSUDIKV-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1CN(C)C ZINC001228441929 1097121815 /nfs/dbraw/zinc/12/18/15/1097121815.db2.gz OIJAYTLBVYKJRX-OAHLLOKOSA-N 1 3 301.454 3.375 20 5 DGBDHO CN(Cc1c2ccccc2cc2ccccc21)C[C@@]1(O)CC[NH2+]C1 ZINC001246048234 1104356342 /nfs/dbraw/zinc/35/63/42/1104356342.db2.gz ZADDRWZZRBYQGW-OAQYLSRUSA-N 1 3 320.436 3.149 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246646039 1104643608 /nfs/dbraw/zinc/64/36/08/1104643608.db2.gz GIAVBYLSGGYDAV-OAHLLOKOSA-N 1 3 317.433 3.134 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCCC12CCNCC2 ZINC001246646039 1104643613 /nfs/dbraw/zinc/64/36/13/1104643613.db2.gz GIAVBYLSGGYDAV-OAHLLOKOSA-N 1 3 317.433 3.134 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCCC12CC[NH2+]CC2 ZINC001246646039 1104643616 /nfs/dbraw/zinc/64/36/16/1104643616.db2.gz GIAVBYLSGGYDAV-OAHLLOKOSA-N 1 3 317.433 3.134 20 5 DGBDHO CCC[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271883971 209293699 /nfs/dbraw/zinc/29/36/99/209293699.db2.gz QGBBAJQYIWWUEV-QGZVFWFLSA-N 1 3 303.406 3.288 20 5 DGBDHO CCC[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271883971 209293702 /nfs/dbraw/zinc/29/37/02/209293702.db2.gz QGBBAJQYIWWUEV-QGZVFWFLSA-N 1 3 303.406 3.288 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000449237113 240083972 /nfs/dbraw/zinc/08/39/72/240083972.db2.gz AQXGCJXFWLCRTP-HOTGVXAUSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC[C@H](C)[NH+]1CCCCC1 ZINC000449237113 240083976 /nfs/dbraw/zinc/08/39/76/240083976.db2.gz AQXGCJXFWLCRTP-HOTGVXAUSA-N 1 3 319.449 3.380 20 5 DGBDHO CCCN1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255424442 285155384 /nfs/dbraw/zinc/15/53/84/285155384.db2.gz XRRNHAUOOHTUDY-VURMDHGXSA-N 1 3 317.433 3.414 20 5 DGBDHO CCCN1CCC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255424442 285155386 /nfs/dbraw/zinc/15/53/86/285155386.db2.gz XRRNHAUOOHTUDY-VURMDHGXSA-N 1 3 317.433 3.414 20 5 DGBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901500 400290541 /nfs/dbraw/zinc/29/05/41/400290541.db2.gz XKQKUYRQZXEQIP-WMLDXEAASA-N 1 3 317.433 3.367 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901633 400290694 /nfs/dbraw/zinc/29/06/94/400290694.db2.gz ZHNLDBQFDHOCOB-GOEBONIOSA-N 1 3 317.433 3.367 20 5 DGBDHO CN(CCCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000603111632 400643683 /nfs/dbraw/zinc/64/36/83/400643683.db2.gz SRXKKNHMZGCZMR-UHFFFAOYSA-N 1 3 305.422 3.293 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599069312 400947869 /nfs/dbraw/zinc/94/78/69/400947869.db2.gz FZGOJRYROVDBEG-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO CC(C)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414812961 278037773 /nfs/dbraw/zinc/03/77/73/278037773.db2.gz XUCRWNYVNXZMSZ-ZBFHGGJFSA-N 1 3 305.422 3.325 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420314450 433162864 /nfs/dbraw/zinc/16/28/64/433162864.db2.gz KXPMRBPXBVTJOE-GDBMZVCRSA-N 1 3 317.433 3.286 20 5 DGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000447515147 433209882 /nfs/dbraw/zinc/20/98/82/433209882.db2.gz JMTHXQXLRSMTOH-GOSISDBHSA-N 1 3 317.433 3.438 20 5 DGBDHO Cc1c([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176436 433441401 /nfs/dbraw/zinc/44/14/01/433441401.db2.gz IZZIEPYUFDCJHZ-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1c([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176436 433441404 /nfs/dbraw/zinc/44/14/04/433441404.db2.gz IZZIEPYUFDCJHZ-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000414359600 433566957 /nfs/dbraw/zinc/56/69/57/433566957.db2.gz OULIKTREHWIYIA-FUHWJXTLSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000414359600 433566965 /nfs/dbraw/zinc/56/69/65/433566965.db2.gz OULIKTREHWIYIA-FUHWJXTLSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000414359600 433566972 /nfs/dbraw/zinc/56/69/72/433566972.db2.gz OULIKTREHWIYIA-FUHWJXTLSA-N 1 3 317.433 3.134 20 5 DGBDHO Cc1c(CN2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000374165946 293360345 /nfs/dbraw/zinc/36/03/45/293360345.db2.gz VAHOPTWEZLNFPX-UHFFFAOYSA-N 1 3 317.433 3.211 20 5 DGBDHO C[C@H](CC[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414887348 433900644 /nfs/dbraw/zinc/90/06/44/433900644.db2.gz DKEFCEJDEQXMBN-LLVKDONJSA-N 1 3 305.403 3.150 20 5 DGBDHO CC(C)N1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506387296 294270148 /nfs/dbraw/zinc/27/01/48/294270148.db2.gz REOVHMJYLIRRGC-VURMDHGXSA-N 1 3 317.433 3.413 20 5 DGBDHO CC(C)N1CCC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506387296 294270149 /nfs/dbraw/zinc/27/01/49/294270149.db2.gz REOVHMJYLIRRGC-VURMDHGXSA-N 1 3 317.433 3.413 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCCCC1 ZINC000423203302 434281147 /nfs/dbraw/zinc/28/11/47/434281147.db2.gz SJTRBWHDNMWSOI-CQSZACIVSA-N 1 3 305.422 3.167 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423380715 434391997 /nfs/dbraw/zinc/39/19/97/434391997.db2.gz NUMKHPNIYKFYIM-MCIONIFRSA-N 1 3 323.462 3.196 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423380715 434392008 /nfs/dbraw/zinc/39/20/08/434392008.db2.gz NUMKHPNIYKFYIM-MCIONIFRSA-N 1 3 323.462 3.196 20 5 DGBDHO C[N@H+]1CC=C(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303267 434351078 /nfs/dbraw/zinc/35/10/78/434351078.db2.gz ADBWWXUDJSEIGF-GOSISDBHSA-N 1 3 315.417 3.214 20 5 DGBDHO C[N@@H+]1CC=C(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303267 434351089 /nfs/dbraw/zinc/35/10/89/434351089.db2.gz ADBWWXUDJSEIGF-GOSISDBHSA-N 1 3 315.417 3.214 20 5 DGBDHO CN1CC=C(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303267 434351102 /nfs/dbraw/zinc/35/11/02/434351102.db2.gz ADBWWXUDJSEIGF-GOSISDBHSA-N 1 3 315.417 3.214 20 5 DGBDHO CC(C)[NH2+]CCCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381421 435429710 /nfs/dbraw/zinc/42/97/10/435429710.db2.gz LBVJATLKYWNPSO-WBVHZDCISA-N 1 3 319.449 3.284 20 5 DGBDHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381421 435429716 /nfs/dbraw/zinc/42/97/16/435429716.db2.gz LBVJATLKYWNPSO-WBVHZDCISA-N 1 3 319.449 3.284 20 5 DGBDHO Cc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415055878 534080444 /nfs/dbraw/zinc/08/04/44/534080444.db2.gz PFCMGFVCPOZMDG-KRWDZBQOSA-N 1 3 313.401 3.473 20 5 DGBDHO COc1cc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903111973 619715904 /nfs/dbraw/zinc/71/59/04/619715904.db2.gz FGZCJFBTUANZKS-CYBMUJFWSA-N 1 3 321.421 3.127 20 5 DGBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789103 619814106 /nfs/dbraw/zinc/81/41/06/619814106.db2.gz OFMHUPJQRYAVNP-ZDUSSCGKSA-N 1 3 305.422 3.353 20 5 DGBDHO C[C@H](NC1CCC([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081493 622794636 /nfs/dbraw/zinc/79/46/36/622794636.db2.gz YFYVMIKRXWNTNO-HIFPTAJRSA-N 1 3 309.385 3.257 20 5 DGBDHO CC(C)CC[NH+]1CCC(NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000925154957 627713817 /nfs/dbraw/zinc/71/38/17/627713817.db2.gz SUCOQRAAFYUVDI-UHFFFAOYSA-N 1 3 319.449 3.237 20 5 DGBDHO CC(C)CCN1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000925154957 627713820 /nfs/dbraw/zinc/71/38/20/627713820.db2.gz SUCOQRAAFYUVDI-UHFFFAOYSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC001658642126 1196282921 /nfs/dbraw/zinc/28/29/21/1196282921.db2.gz PWTYLCKZSXRBFJ-HLLBOEOZSA-N 1 3 319.449 3.236 20 5 DGBDHO CN(Cc1c2ccccc2cc2ccccc21)C[C@]1(O)CC[NH2+]C1 ZINC001246048230 1104358706 /nfs/dbraw/zinc/35/87/06/1104358706.db2.gz ZADDRWZZRBYQGW-NRFANRHFSA-N 1 3 320.436 3.149 20 5 DGBDHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094262 1105887068 /nfs/dbraw/zinc/88/70/68/1105887068.db2.gz BANZXHJUWLMEJH-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO CCCC[N@H+](C)CCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534732 1106096805 /nfs/dbraw/zinc/09/68/05/1106096805.db2.gz CDNKDNYXWFNGLD-OAHLLOKOSA-N 1 3 307.438 3.237 20 5 DGBDHO CCCC[N@@H+](C)CCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534732 1106096810 /nfs/dbraw/zinc/09/68/10/1106096810.db2.gz CDNKDNYXWFNGLD-OAHLLOKOSA-N 1 3 307.438 3.237 20 5 DGBDHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382644 1108438465 /nfs/dbraw/zinc/43/84/65/1108438465.db2.gz HYMHNUGTKQKADK-RHSMWYFYSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CCCCC1 ZINC000423261065 296006941 /nfs/dbraw/zinc/00/69/41/296006941.db2.gz IYEAQFZHPVOBJJ-BBRMVZONSA-N 1 3 305.422 3.023 20 5 DGBDHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121793438 195348463 /nfs/dbraw/zinc/34/84/63/195348463.db2.gz XNXZUKOGAMTYFX-AWEZNQCLSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@@H](CCC[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415025571 533553462 /nfs/dbraw/zinc/55/34/62/533553462.db2.gz REOZERPHGCBVMW-LBPRGKRZSA-N 1 3 303.362 3.072 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCC1 ZINC000596649318 400472191 /nfs/dbraw/zinc/47/21/91/400472191.db2.gz YPDJRTPSKSKEQR-ZDUSSCGKSA-N 1 3 323.462 3.327 20 5 DGBDHO C[NH+]1CCC(N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347869 400512783 /nfs/dbraw/zinc/51/27/83/400512783.db2.gz GEPRRYHRKFWTPG-KRWDZBQOSA-N 1 3 303.406 3.046 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000591578317 400541915 /nfs/dbraw/zinc/54/19/15/400541915.db2.gz QICFNHYIDBJGPN-KGLIPLIRSA-N 1 3 323.462 3.197 20 5 DGBDHO CC[NH+](CC)CC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000047973379 400637166 /nfs/dbraw/zinc/63/71/66/400637166.db2.gz UKPOAPHYRRCRKK-UHFFFAOYSA-N 1 3 319.449 3.457 20 5 DGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599071790 400950925 /nfs/dbraw/zinc/95/09/25/400950925.db2.gz SWIZXRNBOVTKAJ-JKSUJKDBSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364448463 287027901 /nfs/dbraw/zinc/02/79/01/287027901.db2.gz QKWZQFOJOPZPDI-DJIMGWMZSA-N 1 3 317.433 3.132 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364448463 287027905 /nfs/dbraw/zinc/02/79/05/287027905.db2.gz QKWZQFOJOPZPDI-DJIMGWMZSA-N 1 3 317.433 3.132 20 5 DGBDHO CC(C)c1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442928106 278035657 /nfs/dbraw/zinc/03/56/57/278035657.db2.gz PIRHSKWNKXKWCW-AWEZNQCLSA-N 1 3 305.422 3.279 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420314451 433162980 /nfs/dbraw/zinc/16/29/80/433162980.db2.gz KXPMRBPXBVTJOE-GOEBONIOSA-N 1 3 317.433 3.286 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C(C)(C)C)CC1 ZINC000449091278 433722806 /nfs/dbraw/zinc/72/28/06/433722806.db2.gz POVQOOQRWSLEAG-CQSZACIVSA-N 1 3 319.449 3.378 20 5 DGBDHO N[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414895281 433904763 /nfs/dbraw/zinc/90/47/63/433904763.db2.gz WPMQLSZPNDXWPL-OAHLLOKOSA-N 1 3 317.414 3.150 20 5 DGBDHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414977707 433955041 /nfs/dbraw/zinc/95/50/41/433955041.db2.gz KQXOYWVOPGTHQK-GFCCVEGCSA-N 1 3 305.403 3.150 20 5 DGBDHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915872 434108885 /nfs/dbraw/zinc/10/88/85/434108885.db2.gz BVUXIVWADYMGMM-NVXWUHKLSA-N 1 3 305.422 3.025 20 5 DGBDHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915873 434110128 /nfs/dbraw/zinc/11/01/28/434110128.db2.gz BVUXIVWADYMGMM-RDJZCZTQSA-N 1 3 305.422 3.025 20 5 DGBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423010049 434160805 /nfs/dbraw/zinc/16/08/05/434160805.db2.gz FRKXWBXLSVJXFH-FGTMMUONSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423011961 434166513 /nfs/dbraw/zinc/16/65/13/434166513.db2.gz JUDSLEJFIPLHEI-GOEBONIOSA-N 1 3 305.422 3.038 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000423209639 434284213 /nfs/dbraw/zinc/28/42/13/434284213.db2.gz IZTCIOUZNASTLE-KGLIPLIRSA-N 1 3 323.462 3.055 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCNC1 ZINC000423209639 434284218 /nfs/dbraw/zinc/28/42/18/434284218.db2.gz IZTCIOUZNASTLE-KGLIPLIRSA-N 1 3 323.462 3.055 20 5 DGBDHO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000417353443 434361462 /nfs/dbraw/zinc/36/14/62/434361462.db2.gz XHALQHYSTOLBJT-CXAGYDPISA-N 1 3 305.422 3.150 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000560897080 435194617 /nfs/dbraw/zinc/19/46/17/435194617.db2.gz SWCZJZNRAOGQLU-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000560897080 435194621 /nfs/dbraw/zinc/19/46/21/435194621.db2.gz SWCZJZNRAOGQLU-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000560897081 435195086 /nfs/dbraw/zinc/19/50/86/435195086.db2.gz SWCZJZNRAOGQLU-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000560897081 435195090 /nfs/dbraw/zinc/19/50/90/435195090.db2.gz SWCZJZNRAOGQLU-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000538278049 435490838 /nfs/dbraw/zinc/49/08/38/435490838.db2.gz JGEWMASVDSHLAB-GOEBONIOSA-N 1 3 305.422 3.428 20 5 DGBDHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294700982 533810601 /nfs/dbraw/zinc/81/06/01/533810601.db2.gz JAQVWSRYLVFUMK-LBPRGKRZSA-N 1 3 320.437 3.091 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430126944 527501340 /nfs/dbraw/zinc/50/13/40/527501340.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 1 3 315.417 3.026 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430126944 527501344 /nfs/dbraw/zinc/50/13/44/527501344.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 1 3 315.417 3.026 20 5 DGBDHO COc1cc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903111974 619715846 /nfs/dbraw/zinc/71/58/46/619715846.db2.gz FGZCJFBTUANZKS-ZDUSSCGKSA-N 1 3 321.421 3.127 20 5 DGBDHO C[NH+](C)CCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476110 627278782 /nfs/dbraw/zinc/27/87/82/627278782.db2.gz FMCVTHZINHWPPW-UHFFFAOYSA-N 1 3 320.220 3.333 20 5 DGBDHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000423372865 529629532 /nfs/dbraw/zinc/62/95/32/529629532.db2.gz HIFPMVKSAAQZAC-SFHVURJKSA-N 1 3 311.385 3.439 20 5 DGBDHO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427859 186071682 /nfs/dbraw/zinc/07/16/82/186071682.db2.gz CRBMGMQMYRQPCZ-KBPBESRZSA-N 1 3 303.406 3.038 20 5 DGBDHO CC[NH+]1CCC(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173447515 198215485 /nfs/dbraw/zinc/21/54/85/198215485.db2.gz MNRIYAJMTJHOGT-AWEZNQCLSA-N 1 3 305.422 3.367 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000415069952 237052537 /nfs/dbraw/zinc/05/25/37/237052537.db2.gz PRWRVHKITSJWPP-RHSMWYFYSA-N 1 3 317.433 3.038 20 5 DGBDHO CN(C)CC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126148 238147673 /nfs/dbraw/zinc/14/76/73/238147673.db2.gz NGNBBVPSWQTCFV-MRXNPFEDSA-N 1 3 319.449 3.495 20 5 DGBDHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435390400 238299837 /nfs/dbraw/zinc/29/98/37/238299837.db2.gz OYYGKZIBHLXSCZ-LBPRGKRZSA-N 1 3 317.414 3.104 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C2CC2)CC1 ZINC000468631305 244057248 /nfs/dbraw/zinc/05/72/48/244057248.db2.gz KHHHHMDIWIWVCL-SDNWHVSQSA-N 1 3 315.417 3.215 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344792502 254306159 /nfs/dbraw/zinc/30/61/59/254306159.db2.gz NAMUWOIUEYAAMT-MBSJSRAVSA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344792502 254306160 /nfs/dbraw/zinc/30/61/60/254306160.db2.gz NAMUWOIUEYAAMT-MBSJSRAVSA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000344792502 254306161 /nfs/dbraw/zinc/30/61/61/254306161.db2.gz NAMUWOIUEYAAMT-MBSJSRAVSA-N 1 3 315.417 3.072 20 5 DGBDHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294700977 224178125 /nfs/dbraw/zinc/17/81/25/224178125.db2.gz JAQVWSRYLVFUMK-GFCCVEGCSA-N 1 3 320.437 3.091 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468650666 533410478 /nfs/dbraw/zinc/41/04/78/533410478.db2.gz VFKCSVCJGLXUJR-POPWGMBXSA-N 1 3 303.406 3.070 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468650666 533410483 /nfs/dbraw/zinc/41/04/83/533410483.db2.gz VFKCSVCJGLXUJR-POPWGMBXSA-N 1 3 303.406 3.070 20 5 DGBDHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679702 400128415 /nfs/dbraw/zinc/12/84/15/400128415.db2.gz NRBZWLTVZDZTOH-JHNDHUHGSA-N 1 3 317.433 3.036 20 5 DGBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900367 400291005 /nfs/dbraw/zinc/29/10/05/400291005.db2.gz DHBBOCMLZPQGCV-YOEHRIQHSA-N 1 3 317.433 3.367 20 5 DGBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901499 400291068 /nfs/dbraw/zinc/29/10/68/400291068.db2.gz XKQKUYRQZXEQIP-RHSMWYFYSA-N 1 3 317.433 3.367 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900987 400291115 /nfs/dbraw/zinc/29/11/15/400291115.db2.gz RGVKHGGGHGEHDN-GOEBONIOSA-N 1 3 317.433 3.367 20 5 DGBDHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111354 400320523 /nfs/dbraw/zinc/32/05/23/400320523.db2.gz WEQZWCUXXOEWTI-USXIJHARSA-N 1 3 319.449 3.269 20 5 DGBDHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111354 400320528 /nfs/dbraw/zinc/32/05/28/400320528.db2.gz WEQZWCUXXOEWTI-USXIJHARSA-N 1 3 319.449 3.269 20 5 DGBDHO Cc1cc(NCC[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261611574 432433387 /nfs/dbraw/zinc/43/33/87/432433387.db2.gz BDOGDZMEJCAHLN-CYBMUJFWSA-N 1 3 314.389 3.253 20 5 DGBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000261661043 432439525 /nfs/dbraw/zinc/43/95/25/432439525.db2.gz GEVWKZGBRWUCDU-RCCFBDPRSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262051551 432472400 /nfs/dbraw/zinc/47/24/00/432472400.db2.gz CXINFESUILKMBI-ZBFHGGJFSA-N 1 3 305.422 3.038 20 5 DGBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000447515148 433209193 /nfs/dbraw/zinc/20/91/93/433209193.db2.gz JMTHXQXLRSMTOH-SFHVURJKSA-N 1 3 317.433 3.438 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338160 433171405 /nfs/dbraw/zinc/17/14/05/433171405.db2.gz PCYBNCONONJADV-KSSFIOAISA-N 1 3 317.433 3.428 20 5 DGBDHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284228043 433864896 /nfs/dbraw/zinc/86/48/96/433864896.db2.gz UMADDMCKWOHHMO-ZDUSSCGKSA-N 1 3 320.437 3.092 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)C(C)C ZINC000423279210 434333620 /nfs/dbraw/zinc/33/36/20/434333620.db2.gz RUCVKHSNOHUTAX-OLZOCXBDSA-N 1 3 311.451 3.038 20 5 DGBDHO Cc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000423362325 434379773 /nfs/dbraw/zinc/37/97/73/434379773.db2.gz SQZPPEPDAAIWDT-ZDUSSCGKSA-N 1 3 311.385 3.357 20 5 DGBDHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423284184 434338979 /nfs/dbraw/zinc/33/89/79/434338979.db2.gz WNHQDCPWHPUFMY-XKQJLSEDSA-N 1 3 303.406 3.079 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338561 301865712 /nfs/dbraw/zinc/86/57/12/301865712.db2.gz PCYBNCONONJADV-RDTXWAMCSA-N 1 3 317.433 3.428 20 5 DGBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000584539682 337359357 /nfs/dbraw/zinc/35/93/57/337359357.db2.gz ALHGGZQUULJHIQ-KRWDZBQOSA-N 1 3 315.417 3.046 20 5 DGBDHO NCC1([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815878 619814410 /nfs/dbraw/zinc/81/44/10/619814410.db2.gz TXCAZOMHRHYHLJ-QGZVFWFLSA-N 1 3 317.433 3.121 20 5 DGBDHO NCC1([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815878 619814411 /nfs/dbraw/zinc/81/44/11/619814411.db2.gz TXCAZOMHRHYHLJ-QGZVFWFLSA-N 1 3 317.433 3.121 20 5 DGBDHO [NH3+]CC1([C@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815878 619814412 /nfs/dbraw/zinc/81/44/12/619814412.db2.gz TXCAZOMHRHYHLJ-QGZVFWFLSA-N 1 3 317.433 3.121 20 5 DGBDHO Cc1c(CN[C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000925658002 627771884 /nfs/dbraw/zinc/77/18/84/627771884.db2.gz MKBUMKRDCSGJJR-KRWDZBQOSA-N 1 3 313.401 3.473 20 5 DGBDHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000817963508 627976982 /nfs/dbraw/zinc/97/69/82/627976982.db2.gz SQGPUOUDSUFIPD-NEPJUHHUSA-N 1 3 314.389 3.048 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734924 1191989986 /nfs/dbraw/zinc/98/99/86/1191989986.db2.gz SZTLKAOYJZAUKM-QAPCUYQASA-N 1 3 317.433 3.163 20 5 DGBDHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065893 1083872981 /nfs/dbraw/zinc/87/29/81/1083872981.db2.gz RDVOLVZAVZIKIE-CRAIPNDOSA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065893 1083872993 /nfs/dbraw/zinc/87/29/93/1083872993.db2.gz RDVOLVZAVZIKIE-CRAIPNDOSA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065893 1083873004 /nfs/dbraw/zinc/87/30/04/1083873004.db2.gz RDVOLVZAVZIKIE-CRAIPNDOSA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001173217095 1097368955 /nfs/dbraw/zinc/36/89/55/1097368955.db2.gz LLKMKRAQCQLBEO-CVEARBPZSA-N 1 3 319.449 3.380 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175070293 1097937193 /nfs/dbraw/zinc/93/71/93/1097937193.db2.gz PYOIDWKHIRSQJZ-WBAXXEDZSA-N 1 3 317.433 3.238 20 5 DGBDHO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000449089739 240013108 /nfs/dbraw/zinc/01/31/08/240013108.db2.gz LDXKKEVRNSQKOH-CVEARBPZSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](CN[C@@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000449089739 240013112 /nfs/dbraw/zinc/01/31/12/240013112.db2.gz LDXKKEVRNSQKOH-CVEARBPZSA-N 1 3 319.449 3.237 20 5 DGBDHO C[NH+]1CCC(CCNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000105454409 194104733 /nfs/dbraw/zinc/10/47/33/194104733.db2.gz FMJVQNDFHDKTBW-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595101418 400106274 /nfs/dbraw/zinc/10/62/74/400106274.db2.gz FLFCOYHRNOQILS-AWEZNQCLSA-N 1 3 317.433 3.367 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901635 400290621 /nfs/dbraw/zinc/29/06/21/400290621.db2.gz ZHNLDBQFDHOCOB-HOCLYGCPSA-N 1 3 317.433 3.367 20 5 DGBDHO Cc1c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595901418 400290973 /nfs/dbraw/zinc/29/09/73/400290973.db2.gz VMHHDWHSYWVGJT-KRWDZBQOSA-N 1 3 317.433 3.115 20 5 DGBDHO C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595904638 400292158 /nfs/dbraw/zinc/29/21/58/400292158.db2.gz JJZIYWKNNNIIOZ-IUODEOHRSA-N 1 3 309.385 3.073 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000591578318 400541611 /nfs/dbraw/zinc/54/16/11/400541611.db2.gz QICFNHYIDBJGPN-UONOGXRCSA-N 1 3 323.462 3.197 20 5 DGBDHO Cc1c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492870 400658399 /nfs/dbraw/zinc/65/83/99/400658399.db2.gz FCQGMTXYBLWDQK-WBVHZDCISA-N 1 3 317.433 3.115 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599069311 400948193 /nfs/dbraw/zinc/94/81/93/400948193.db2.gz FZGOJRYROVDBEG-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000425919915 274225653 /nfs/dbraw/zinc/22/56/53/274225653.db2.gz GSQXEFFDUWZQBO-LRDDRELGSA-N 1 3 305.422 3.105 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000449218661 278298577 /nfs/dbraw/zinc/29/85/77/278298577.db2.gz KLEGOINMIHLQPT-ZDUSSCGKSA-N 1 3 319.449 3.425 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000449218661 278298579 /nfs/dbraw/zinc/29/85/79/278298579.db2.gz KLEGOINMIHLQPT-ZDUSSCGKSA-N 1 3 319.449 3.425 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000449096288 279381987 /nfs/dbraw/zinc/38/19/87/279381987.db2.gz GEIKLDCSPRHAMV-CQSZACIVSA-N 1 3 317.433 3.132 20 5 DGBDHO Cc1c(CN2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000056521980 431988195 /nfs/dbraw/zinc/98/81/95/431988195.db2.gz IEVINVMALYENSP-UHFFFAOYSA-N 1 3 305.422 3.067 20 5 DGBDHO CCCCN1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284228037 433863122 /nfs/dbraw/zinc/86/31/22/433863122.db2.gz UMADDMCKWOHHMO-CYBMUJFWSA-N 1 3 320.437 3.092 20 5 DGBDHO C[C@@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414884774 433898327 /nfs/dbraw/zinc/89/83/27/433898327.db2.gz BEOJEQOQDMGOBQ-NSHDSACASA-N 1 3 305.403 3.150 20 5 DGBDHO [NH3+]CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414897660 433904810 /nfs/dbraw/zinc/90/48/10/433904810.db2.gz CBIDAQFKFWIJNK-UHFFFAOYSA-N 1 3 323.780 3.337 20 5 DGBDHO CCCC[C@@H](C[NH3+])N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298114 434348024 /nfs/dbraw/zinc/34/80/24/434348024.db2.gz NEWAPAGMFHICLP-HOTGVXAUSA-N 1 3 305.422 3.023 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000531945193 435128231 /nfs/dbraw/zinc/12/82/31/435128231.db2.gz HHCFOMYSLBDBMG-OAHLLOKOSA-N 1 3 305.422 3.430 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000532475440 435170383 /nfs/dbraw/zinc/17/03/83/435170383.db2.gz FBDDMKIAJLNKAR-AWEZNQCLSA-N 1 3 317.433 3.428 20 5 DGBDHO CC(C)[N@H+](C)CCCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187374 435369490 /nfs/dbraw/zinc/36/94/90/435369490.db2.gz CDIFINLTWJYIES-QGZVFWFLSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@@H+](C)CCCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187374 435369497 /nfs/dbraw/zinc/36/94/97/435369497.db2.gz CDIFINLTWJYIES-QGZVFWFLSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)N(C)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187374 435369502 /nfs/dbraw/zinc/36/95/02/435369502.db2.gz CDIFINLTWJYIES-QGZVFWFLSA-N 1 3 319.449 3.236 20 5 DGBDHO C[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432713 619634977 /nfs/dbraw/zinc/63/49/77/619634977.db2.gz WTLAEPDRIMNFAE-QIJZBDPFSA-N 1 3 317.433 3.065 20 5 DGBDHO C[C@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432713 619634979 /nfs/dbraw/zinc/63/49/79/619634979.db2.gz WTLAEPDRIMNFAE-QIJZBDPFSA-N 1 3 317.433 3.065 20 5 DGBDHO Cc1ccc(CN2CCC(C(C)(C)C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000903791171 619811101 /nfs/dbraw/zinc/81/11/01/619811101.db2.gz QAXCLPUQJYWZKH-UHFFFAOYSA-N 1 3 305.422 3.100 20 5 DGBDHO C[C@H](NCCCC[N@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077668 622792944 /nfs/dbraw/zinc/79/29/44/622792944.db2.gz KVMRILWWSFYVCN-LBPRGKRZSA-N 1 3 309.385 3.259 20 5 DGBDHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077668 622792945 /nfs/dbraw/zinc/79/29/45/622792945.db2.gz KVMRILWWSFYVCN-LBPRGKRZSA-N 1 3 309.385 3.259 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248492 624463530 /nfs/dbraw/zinc/46/35/30/624463530.db2.gz TZCIZXUKJAJRLC-HNNXBMFYSA-N 1 3 317.433 3.464 20 5 DGBDHO CC[N+](C)(C)Cc1ccccc1-n1nc(CN)c2ccccc21 ZINC001167698429 1083107501 /nfs/dbraw/zinc/10/75/01/1083107501.db2.gz WWVPAAIROBCSQV-UHFFFAOYSA-N 1 3 309.437 3.081 20 5 DGBDHO O=[N+]([O-])c1ccc(Cl)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278465777 214170026 /nfs/dbraw/zinc/17/00/26/214170026.db2.gz GGXFDMMNWMMXJV-UHFFFAOYSA-N 1 3 323.824 3.212 20 5 DGBDHO Cc1ccc(CNCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000292906828 223302852 /nfs/dbraw/zinc/30/28/52/223302852.db2.gz FCQAGQMAAUPPLF-UHFFFAOYSA-N 1 3 305.422 3.259 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900986 400290720 /nfs/dbraw/zinc/29/07/20/400290720.db2.gz RGVKHGGGHGEHDN-GDBMZVCRSA-N 1 3 317.433 3.367 20 5 DGBDHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111353 400321119 /nfs/dbraw/zinc/32/11/19/400321119.db2.gz WEQZWCUXXOEWTI-UAGQMJEPSA-N 1 3 319.449 3.269 20 5 DGBDHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111353 400321123 /nfs/dbraw/zinc/32/11/23/400321123.db2.gz WEQZWCUXXOEWTI-UAGQMJEPSA-N 1 3 319.449 3.269 20 5 DGBDHO CC1(C)C[C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2cc([N+](=O)[O-])ccc21 ZINC000591581817 400542982 /nfs/dbraw/zinc/54/29/82/400542982.db2.gz WUCWPSFBCJBZMS-HZPDHXFCSA-N 1 3 315.417 3.049 20 5 DGBDHO CCC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579377 400543060 /nfs/dbraw/zinc/54/30/60/400543060.db2.gz UNKLRDSENACBNU-HOTGVXAUSA-N 1 3 303.406 3.168 20 5 DGBDHO C[C@H]1CC2(CN1Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000591668411 400549095 /nfs/dbraw/zinc/54/90/95/400549095.db2.gz MMDKKLUCHFZCFS-LBPRGKRZSA-N 1 3 323.824 3.212 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493985 400658221 /nfs/dbraw/zinc/65/82/21/400658221.db2.gz YFEQXCANLCHRIM-PMPSAXMXSA-N 1 3 317.433 3.367 20 5 DGBDHO [NH3+]C1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738032 401166075 /nfs/dbraw/zinc/16/60/75/401166075.db2.gz ATGZTKQSGUJSJX-GDBMZVCRSA-N 1 3 317.433 3.167 20 5 DGBDHO CC(C)c1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000347049249 264146713 /nfs/dbraw/zinc/14/67/13/264146713.db2.gz QINPJJMHPISIQI-CYBMUJFWSA-N 1 3 305.422 3.277 20 5 DGBDHO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000417353445 274225640 /nfs/dbraw/zinc/22/56/40/274225640.db2.gz XHALQHYSTOLBJT-GUYCJALGSA-N 1 3 305.422 3.150 20 5 DGBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000261661037 432439194 /nfs/dbraw/zinc/43/91/94/432439194.db2.gz GEVWKZGBRWUCDU-FGTMMUONSA-N 1 3 317.433 3.038 20 5 DGBDHO Cc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173002 433436516 /nfs/dbraw/zinc/43/65/16/433436516.db2.gz FYBGVDHPXFQLGT-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173002 433436527 /nfs/dbraw/zinc/43/65/27/433436527.db2.gz FYBGVDHPXFQLGT-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1c([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176437 433442338 /nfs/dbraw/zinc/44/23/38/433442338.db2.gz IZZIEPYUFDCJHZ-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1c([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176437 433442345 /nfs/dbraw/zinc/44/23/45/433442345.db2.gz IZZIEPYUFDCJHZ-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414795282 433838168 /nfs/dbraw/zinc/83/81/68/433838168.db2.gz GMFVNEVABCKISN-BMFZPTHFSA-N 1 3 305.422 3.023 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414795283 433839703 /nfs/dbraw/zinc/83/97/03/433839703.db2.gz GMFVNEVABCKISN-FVQBIDKESA-N 1 3 305.422 3.023 20 5 DGBDHO CC[C@H](N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414978552 433954812 /nfs/dbraw/zinc/95/48/12/433954812.db2.gz MKAYIGZGVFUTGW-NSHDSACASA-N 1 3 305.403 3.150 20 5 DGBDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000414955900 293893208 /nfs/dbraw/zinc/89/32/08/293893208.db2.gz UWVSFLXZNJNNIH-YALNPMBYSA-N 1 3 317.433 3.036 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000419694699 546804045 /nfs/dbraw/zinc/80/40/45/546804045.db2.gz QNOCMRPWCUOUBW-GJZGRUSLSA-N 1 3 323.824 3.007 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000419694699 546804048 /nfs/dbraw/zinc/80/40/48/546804048.db2.gz QNOCMRPWCUOUBW-GJZGRUSLSA-N 1 3 323.824 3.007 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000419694701 546804280 /nfs/dbraw/zinc/80/42/80/546804280.db2.gz QNOCMRPWCUOUBW-LSDHHAIUSA-N 1 3 323.824 3.007 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000419694701 546804286 /nfs/dbraw/zinc/80/42/86/546804286.db2.gz QNOCMRPWCUOUBW-LSDHHAIUSA-N 1 3 323.824 3.007 20 5 DGBDHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839183480 621344337 /nfs/dbraw/zinc/34/43/37/621344337.db2.gz WWRFMGDQURBIBY-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839183480 621344342 /nfs/dbraw/zinc/34/43/42/621344342.db2.gz WWRFMGDQURBIBY-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000866282711 622084828 /nfs/dbraw/zinc/08/48/28/622084828.db2.gz PQYPIWNZIKKCBX-KCXAZCMYSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000866282711 622084830 /nfs/dbraw/zinc/08/48/30/622084830.db2.gz PQYPIWNZIKKCBX-KCXAZCMYSA-N 1 3 323.412 3.127 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000877516522 623919870 /nfs/dbraw/zinc/91/98/70/623919870.db2.gz BHVXKZPGTCQDCA-XYPWUTKMSA-N 1 3 317.433 3.269 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000877516522 623919871 /nfs/dbraw/zinc/91/98/71/623919871.db2.gz BHVXKZPGTCQDCA-XYPWUTKMSA-N 1 3 317.433 3.269 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124850 630616221 /nfs/dbraw/zinc/61/62/21/630616221.db2.gz JGVOZCFRLPVTBF-ZIAGYGMSSA-N 1 3 323.824 3.070 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734922 1191989828 /nfs/dbraw/zinc/98/98/28/1191989828.db2.gz SZTLKAOYJZAUKM-CRAIPNDOSA-N 1 3 317.433 3.163 20 5 DGBDHO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152428049 186071632 /nfs/dbraw/zinc/07/16/32/186071632.db2.gz CRBMGMQMYRQPCZ-UONOGXRCSA-N 1 3 303.406 3.038 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468650665 533385197 /nfs/dbraw/zinc/38/51/97/533385197.db2.gz VFKCSVCJGLXUJR-HHFPWCGMSA-N 1 3 303.406 3.070 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468650665 533385201 /nfs/dbraw/zinc/38/52/01/533385201.db2.gz VFKCSVCJGLXUJR-HHFPWCGMSA-N 1 3 303.406 3.070 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901636 400290829 /nfs/dbraw/zinc/29/08/29/400290829.db2.gz ZHNLDBQFDHOCOB-ZBFHGGJFSA-N 1 3 317.433 3.367 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000591275679 400505542 /nfs/dbraw/zinc/50/55/42/400505542.db2.gz XCVSMHBQRRWCTQ-BHYGNILZSA-N 1 3 317.433 3.038 20 5 DGBDHO Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433826 400648639 /nfs/dbraw/zinc/64/86/39/400648639.db2.gz ZADUROJDAPLGEH-DLBZAZTESA-N 1 3 317.433 3.115 20 5 DGBDHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069583 400948737 /nfs/dbraw/zinc/94/87/37/400948737.db2.gz HVZXIUGSXDYSBC-KBXCAEBGSA-N 1 3 317.433 3.294 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420305408 292297084 /nfs/dbraw/zinc/29/70/84/292297084.db2.gz KDOVYMVVEDRNHP-MGBSGCIJSA-N 1 3 303.406 3.023 20 5 DGBDHO Cc1cc(N[C@@H](C)CC[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302199692 230156036 /nfs/dbraw/zinc/15/60/36/230156036.db2.gz UQBGINDITAXQMJ-NSHDSACASA-N 1 3 302.378 3.204 20 5 DGBDHO Cc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369203439 271250985 /nfs/dbraw/zinc/25/09/85/271250985.db2.gz LEJUSIACYUKMMY-UHFFFAOYSA-N 1 3 317.433 3.211 20 5 DGBDHO Cc1c([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178255306 432712167 /nfs/dbraw/zinc/71/21/67/432712167.db2.gz GPVCDEQHGVCBIS-CQSZACIVSA-N 1 3 317.433 3.428 20 5 DGBDHO Cc1c([C@@H](C)[NH2+]CCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000178410204 432731842 /nfs/dbraw/zinc/73/18/42/432731842.db2.gz YKNVBGCWCBEWQY-OAHLLOKOSA-N 1 3 305.422 3.430 20 5 DGBDHO C[NH2+]CCC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420314607 433158694 /nfs/dbraw/zinc/15/86/94/433158694.db2.gz VXIDSOSZVCBJAP-CQSZACIVSA-N 1 3 305.422 3.286 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000414359599 433566878 /nfs/dbraw/zinc/56/68/78/433566878.db2.gz OULIKTREHWIYIA-AEFFLSMTSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000414359599 433566888 /nfs/dbraw/zinc/56/68/88/433566888.db2.gz OULIKTREHWIYIA-AEFFLSMTSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)cc1 ZINC000414359599 433566896 /nfs/dbraw/zinc/56/68/96/433566896.db2.gz OULIKTREHWIYIA-AEFFLSMTSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CNCCCCC[NH+]2CCCC2)c(F)c1 ZINC000339501074 433619537 /nfs/dbraw/zinc/61/95/37/433619537.db2.gz UVSNXBBLUMQLMV-UHFFFAOYSA-N 1 3 309.385 3.090 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCCC[C@H]1C ZINC000449063940 433719503 /nfs/dbraw/zinc/71/95/03/433719503.db2.gz RZZYNCDMMXLGKR-JKSUJKDBSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@H+]1CCCC[C@H]1C ZINC000449063940 433719509 /nfs/dbraw/zinc/71/95/09/433719509.db2.gz RZZYNCDMMXLGKR-JKSUJKDBSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCC[C@H]1C ZINC000449063940 433719518 /nfs/dbraw/zinc/71/95/18/433719518.db2.gz RZZYNCDMMXLGKR-JKSUJKDBSA-N 1 3 319.449 3.380 20 5 DGBDHO CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812814 433854182 /nfs/dbraw/zinc/85/41/82/433854182.db2.gz RXICCJOOQJQHQK-GDBMZVCRSA-N 1 3 319.449 3.413 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414908275 433909506 /nfs/dbraw/zinc/90/95/06/433909506.db2.gz RLZNYZIDBDKXNV-OIISXLGYSA-N 1 3 317.433 3.038 20 5 DGBDHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000517373089 294671228 /nfs/dbraw/zinc/67/12/28/294671228.db2.gz AWMULTOCPAPJNV-GOSISDBHSA-N 1 3 311.385 3.221 20 5 DGBDHO Cc1c([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423372085 434392378 /nfs/dbraw/zinc/39/23/78/434392378.db2.gz GRLGMNXSXNSJJP-ZDUSSCGKSA-N 1 3 311.385 3.357 20 5 DGBDHO C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423471991 434442211 /nfs/dbraw/zinc/44/22/11/434442211.db2.gz ZZOUYCFFUIAGCT-KDOFPFPSSA-N 1 3 313.401 3.401 20 5 DGBDHO C[C@H]1CC2(CN1C/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378455 434715333 /nfs/dbraw/zinc/71/53/33/434715333.db2.gz NELBVDQFWQWUDS-VOKGJARPSA-N 1 3 315.417 3.072 20 5 DGBDHO CCN1CC[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818647 435571169 /nfs/dbraw/zinc/57/11/69/435571169.db2.gz CAVPKYIISJLVPQ-GPXGYGPYSA-N 1 3 317.433 3.413 20 5 DGBDHO CCN1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818647 435571173 /nfs/dbraw/zinc/57/11/73/435571173.db2.gz CAVPKYIISJLVPQ-GPXGYGPYSA-N 1 3 317.433 3.413 20 5 DGBDHO CC(C)[NH+]1CCC(CCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000865717256 621982593 /nfs/dbraw/zinc/98/25/93/621982593.db2.gz UKMJKXNLFTXHBV-UHFFFAOYSA-N 1 3 311.451 3.256 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(C(C)C)CC1 ZINC000873008740 623016932 /nfs/dbraw/zinc/01/69/32/623016932.db2.gz CGNQKXPKIVQBNR-UHFFFAOYSA-N 1 3 305.422 3.174 20 5 DGBDHO CCCC[N@H+](C)CCCN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215371 1097367635 /nfs/dbraw/zinc/36/76/35/1097367635.db2.gz VOEVEYSYNOWCRG-HNNXBMFYSA-N 1 3 307.438 3.237 20 5 DGBDHO CCCC[N@@H+](C)CCCN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215371 1097367640 /nfs/dbraw/zinc/36/76/40/1097367640.db2.gz VOEVEYSYNOWCRG-HNNXBMFYSA-N 1 3 307.438 3.237 20 5 DGBDHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215371 1097367647 /nfs/dbraw/zinc/36/76/47/1097367647.db2.gz VOEVEYSYNOWCRG-HNNXBMFYSA-N 1 3 307.438 3.237 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001173217096 1097368458 /nfs/dbraw/zinc/36/84/58/1097368458.db2.gz LLKMKRAQCQLBEO-HOTGVXAUSA-N 1 3 319.449 3.380 20 5 DGBDHO NCCC[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254571672 1106106211 /nfs/dbraw/zinc/10/62/11/1106106211.db2.gz ADENEOGGXUMGOQ-SFHVURJKSA-N 1 3 317.433 3.046 20 5 DGBDHO NCCC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254571672 1106106214 /nfs/dbraw/zinc/10/62/14/1106106214.db2.gz ADENEOGGXUMGOQ-SFHVURJKSA-N 1 3 317.433 3.046 20 5 DGBDHO CC[NH+]1CCC(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173447528 198215911 /nfs/dbraw/zinc/21/59/11/198215911.db2.gz MNRIYAJMTJHOGT-CQSZACIVSA-N 1 3 305.422 3.367 20 5 DGBDHO CC(C)[N@H+](CC[C@@H]1CCCN1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409397 432057150 /nfs/dbraw/zinc/05/71/50/432057150.db2.gz DRLSXUWVQXXODM-INIZCTEOSA-N 1 3 305.422 3.290 20 5 DGBDHO CC(C)[N@@H+](CC[C@@H]1CCCN1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409397 432057153 /nfs/dbraw/zinc/05/71/53/432057153.db2.gz DRLSXUWVQXXODM-INIZCTEOSA-N 1 3 305.422 3.290 20 5 DGBDHO CN(C)CC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126146 238147614 /nfs/dbraw/zinc/14/76/14/238147614.db2.gz NGNBBVPSWQTCFV-INIZCTEOSA-N 1 3 319.449 3.495 20 5 DGBDHO CCC[C@H](NCC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271883968 209293840 /nfs/dbraw/zinc/29/38/40/209293840.db2.gz QGBBAJQYIWWUEV-KRWDZBQOSA-N 1 3 303.406 3.288 20 5 DGBDHO CCC[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271883968 209293842 /nfs/dbraw/zinc/29/38/42/209293842.db2.gz QGBBAJQYIWWUEV-KRWDZBQOSA-N 1 3 303.406 3.288 20 5 DGBDHO CC(C)[C@@H](CN[C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078058 240007252 /nfs/dbraw/zinc/00/72/52/240007252.db2.gz UAYIHTJJZUOTTE-CRAIPNDOSA-N 1 3 319.449 3.236 20 5 DGBDHO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000449089740 240012305 /nfs/dbraw/zinc/01/23/05/240012305.db2.gz LDXKKEVRNSQKOH-HOTGVXAUSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@@H](CN[C@@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000449089740 240012312 /nfs/dbraw/zinc/01/23/12/240012312.db2.gz LDXKKEVRNSQKOH-HOTGVXAUSA-N 1 3 319.449 3.237 20 5 DGBDHO CC(C)c1ccc(CNCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000345159818 254335034 /nfs/dbraw/zinc/33/50/34/254335034.db2.gz FVRSBCHNMAJDQG-UHFFFAOYSA-N 1 3 303.406 3.070 20 5 DGBDHO CC(C)c1ccc(CNCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000345159818 254335035 /nfs/dbraw/zinc/33/50/35/254335035.db2.gz FVRSBCHNMAJDQG-UHFFFAOYSA-N 1 3 303.406 3.070 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344792495 254305992 /nfs/dbraw/zinc/30/59/92/254305992.db2.gz NAMUWOIUEYAAMT-IDJPSDCMSA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344792495 254305994 /nfs/dbraw/zinc/30/59/94/254305994.db2.gz NAMUWOIUEYAAMT-IDJPSDCMSA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000344792495 254305996 /nfs/dbraw/zinc/30/59/96/254305996.db2.gz NAMUWOIUEYAAMT-IDJPSDCMSA-N 1 3 315.417 3.072 20 5 DGBDHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195028 400274075 /nfs/dbraw/zinc/27/40/75/400274075.db2.gz BZLDSUGYAGBBHO-CVEARBPZSA-N 1 3 319.449 3.236 20 5 DGBDHO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCC[NH3+] ZINC000595905621 400292515 /nfs/dbraw/zinc/29/25/15/400292515.db2.gz WEIXGTOIGVQDGC-MLGOLLRUSA-N 1 3 309.385 3.073 20 5 DGBDHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111352 400319955 /nfs/dbraw/zinc/31/99/55/400319955.db2.gz WEQZWCUXXOEWTI-OIISXLGYSA-N 1 3 319.449 3.269 20 5 DGBDHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111352 400319960 /nfs/dbraw/zinc/31/99/60/400319960.db2.gz WEQZWCUXXOEWTI-OIISXLGYSA-N 1 3 319.449 3.269 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000591275681 400505331 /nfs/dbraw/zinc/50/53/31/400505331.db2.gz XCVSMHBQRRWCTQ-USXIJHARSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591282648 400506565 /nfs/dbraw/zinc/50/65/65/400506565.db2.gz JURCBXJFUKOCHM-ZBFHGGJFSA-N 1 3 317.433 3.180 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282648 400506567 /nfs/dbraw/zinc/50/65/67/400506567.db2.gz JURCBXJFUKOCHM-ZBFHGGJFSA-N 1 3 317.433 3.180 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000591578316 400541830 /nfs/dbraw/zinc/54/18/30/400541830.db2.gz QICFNHYIDBJGPN-KBPBESRZSA-N 1 3 323.462 3.197 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[NH+](C)C)CC1 ZINC000075645037 400600542 /nfs/dbraw/zinc/60/05/42/400600542.db2.gz NYZQKBGODWEBBJ-AWEZNQCLSA-N 1 3 305.422 3.320 20 5 DGBDHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069586 400948633 /nfs/dbraw/zinc/94/86/33/400948633.db2.gz HVZXIUGSXDYSBC-RDTXWAMCSA-N 1 3 317.433 3.294 20 5 DGBDHO Cc1c([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cccc1[N+](=O)[O-] ZINC000599069300 400949007 /nfs/dbraw/zinc/94/90/07/400949007.db2.gz FKLKHOIQPPOHJZ-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000594736594 401165726 /nfs/dbraw/zinc/16/57/26/401165726.db2.gz SKVWJYDDRXBQPT-KRWDZBQOSA-N 1 3 317.433 3.115 20 5 DGBDHO CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165754 431885406 /nfs/dbraw/zinc/88/54/06/431885406.db2.gz DTUQAIBMLGUGGV-PBHICJAKSA-N 1 3 305.422 3.367 20 5 DGBDHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589523 432391204 /nfs/dbraw/zinc/39/12/04/432391204.db2.gz VUMQZFWWQDDNLF-MRXNPFEDSA-N 1 3 305.422 3.150 20 5 DGBDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262051539 432472428 /nfs/dbraw/zinc/47/24/28/432472428.db2.gz CXINFESUILKMBI-GOEBONIOSA-N 1 3 305.422 3.038 20 5 DGBDHO CCC([NH3+])(CC)CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812817 433855408 /nfs/dbraw/zinc/85/54/08/433855408.db2.gz RXICCJOOQJQHQK-ZBFHGGJFSA-N 1 3 319.449 3.413 20 5 DGBDHO N[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414895280 433904925 /nfs/dbraw/zinc/90/49/25/433904925.db2.gz WPMQLSZPNDXWPL-HNNXBMFYSA-N 1 3 317.414 3.150 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000344792499 433884567 /nfs/dbraw/zinc/88/45/67/433884567.db2.gz NAMUWOIUEYAAMT-IHWMJMDHSA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000344792499 433884576 /nfs/dbraw/zinc/88/45/76/433884576.db2.gz NAMUWOIUEYAAMT-IHWMJMDHSA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000344792499 433884585 /nfs/dbraw/zinc/88/45/85/433884585.db2.gz NAMUWOIUEYAAMT-IHWMJMDHSA-N 1 3 315.417 3.072 20 5 DGBDHO C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000422918011 434108839 /nfs/dbraw/zinc/10/88/39/434108839.db2.gz HCNOSKFDVZHYGN-RHSMWYFYSA-N 1 3 305.422 3.038 20 5 DGBDHO CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423279587 434336100 /nfs/dbraw/zinc/33/61/00/434336100.db2.gz ROGFCCZFMWFMSM-NWANDNLSSA-N 1 3 321.421 3.162 20 5 DGBDHO CCN1CC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331973 434358377 /nfs/dbraw/zinc/35/83/77/434358377.db2.gz WSFYCZAKVHKGCX-KSSFIOAISA-N 1 3 317.433 3.294 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423380720 434392508 /nfs/dbraw/zinc/39/25/08/434392508.db2.gz NUMKHPNIYKFYIM-MJBXVCDLSA-N 1 3 323.462 3.196 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423380720 434392518 /nfs/dbraw/zinc/39/25/18/434392518.db2.gz NUMKHPNIYKFYIM-MJBXVCDLSA-N 1 3 323.462 3.196 20 5 DGBDHO C[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423471997 434440581 /nfs/dbraw/zinc/44/05/81/434440581.db2.gz ZZOUYCFFUIAGCT-RDTXWAMCSA-N 1 3 313.401 3.401 20 5 DGBDHO CN(C)CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579977576 435197429 /nfs/dbraw/zinc/19/74/29/435197429.db2.gz GRJQOKGKPNACLS-INIZCTEOSA-N 1 3 317.433 3.294 20 5 DGBDHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381418 435429445 /nfs/dbraw/zinc/42/94/45/435429445.db2.gz LBVJATLKYWNPSO-DOTOQJQBSA-N 1 3 319.449 3.284 20 5 DGBDHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381418 435429447 /nfs/dbraw/zinc/42/94/47/435429447.db2.gz LBVJATLKYWNPSO-DOTOQJQBSA-N 1 3 319.449 3.284 20 5 DGBDHO Cc1ccc([C@H](C)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000817947091 627970752 /nfs/dbraw/zinc/97/07/52/627970752.db2.gz JWQAQRVLBCOWPD-AWEZNQCLSA-N 1 3 313.401 3.255 20 5 DGBDHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065895 1083873190 /nfs/dbraw/zinc/87/31/90/1083873190.db2.gz RDVOLVZAVZIKIE-QAPCUYQASA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065895 1083873202 /nfs/dbraw/zinc/87/32/02/1083873202.db2.gz RDVOLVZAVZIKIE-QAPCUYQASA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065895 1083873215 /nfs/dbraw/zinc/87/32/15/1083873215.db2.gz RDVOLVZAVZIKIE-QAPCUYQASA-N 1 3 319.449 3.190 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414908268 236941132 /nfs/dbraw/zinc/94/11/32/236941132.db2.gz RLZNYZIDBDKXNV-DJIMGWMZSA-N 1 3 317.433 3.038 20 5 DGBDHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130737 240030478 /nfs/dbraw/zinc/03/04/78/240030478.db2.gz HOWRWEOZUUSZKD-CVEARBPZSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130737 240030482 /nfs/dbraw/zinc/03/04/82/240030482.db2.gz HOWRWEOZUUSZKD-CVEARBPZSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130737 240030487 /nfs/dbraw/zinc/03/04/87/240030487.db2.gz HOWRWEOZUUSZKD-CVEARBPZSA-N 1 3 319.449 3.236 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(C[NH+](C)C)CCCC1 ZINC000449243820 240087426 /nfs/dbraw/zinc/08/74/26/240087426.db2.gz NQCYQEOEQXPFDO-HNNXBMFYSA-N 1 3 319.449 3.237 20 5 DGBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000123281880 285111244 /nfs/dbraw/zinc/11/12/44/285111244.db2.gz MXYPPMHRWRHNGW-UHFFFAOYSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000123281880 285111245 /nfs/dbraw/zinc/11/12/45/285111245.db2.gz MXYPPMHRWRHNGW-UHFFFAOYSA-N 1 3 317.433 3.134 20 5 DGBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900366 400290486 /nfs/dbraw/zinc/29/04/86/400290486.db2.gz DHBBOCMLZPQGCV-WMLDXEAASA-N 1 3 317.433 3.367 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900989 400290885 /nfs/dbraw/zinc/29/08/85/400290885.db2.gz RGVKHGGGHGEHDN-ZBFHGGJFSA-N 1 3 317.433 3.367 20 5 DGBDHO CC(C)C[N@@H+]1CCC[C@@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602575627 400501747 /nfs/dbraw/zinc/50/17/47/400501747.db2.gz TWFGCRRXQIXNCQ-KRWDZBQOSA-N 1 3 319.449 3.095 20 5 DGBDHO CC(C)C[N@H+]1CCC[C@@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602575627 400501748 /nfs/dbraw/zinc/50/17/48/400501748.db2.gz TWFGCRRXQIXNCQ-KRWDZBQOSA-N 1 3 319.449 3.095 20 5 DGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591282647 400506525 /nfs/dbraw/zinc/50/65/25/400506525.db2.gz JURCBXJFUKOCHM-HOCLYGCPSA-N 1 3 317.433 3.180 20 5 DGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282647 400506527 /nfs/dbraw/zinc/50/65/27/400506527.db2.gz JURCBXJFUKOCHM-HOCLYGCPSA-N 1 3 317.433 3.180 20 5 DGBDHO CC1(C)C[C@H](N[C@H]2CC23CC[NH2+]CC3)c2cc([N+](=O)[O-])ccc21 ZINC000591581816 400543142 /nfs/dbraw/zinc/54/31/42/400543142.db2.gz WUCWPSFBCJBZMS-HOTGVXAUSA-N 1 3 315.417 3.049 20 5 DGBDHO Cc1c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492864 400658321 /nfs/dbraw/zinc/65/83/21/400658321.db2.gz FCQGMTXYBLWDQK-DOTOQJQBSA-N 1 3 317.433 3.115 20 5 DGBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347168298 264169150 /nfs/dbraw/zinc/16/91/50/264169150.db2.gz MINSGPNPQQKNTI-YXMMZVCTSA-N 1 3 315.417 3.072 20 5 DGBDHO CCN1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331977 276221725 /nfs/dbraw/zinc/22/17/25/276221725.db2.gz WSFYCZAKVHKGCX-RDTXWAMCSA-N 1 3 317.433 3.294 20 5 DGBDHO CC(C)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414812959 278037575 /nfs/dbraw/zinc/03/75/75/278037575.db2.gz XUCRWNYVNXZMSZ-GOEBONIOSA-N 1 3 305.422 3.325 20 5 DGBDHO C[NH+]1CCC(C)(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000227329779 432711173 /nfs/dbraw/zinc/71/11/73/432711173.db2.gz UWRCMNBNFFVRBG-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420314454 433160208 /nfs/dbraw/zinc/16/02/08/433160208.db2.gz KXPMRBPXBVTJOE-ZBFHGGJFSA-N 1 3 317.433 3.286 20 5 DGBDHO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCNCC3)s2)cc1 ZINC000414781305 433831347 /nfs/dbraw/zinc/83/13/47/433831347.db2.gz CEYWRADELSOPMC-UHFFFAOYSA-N 1 3 317.414 3.165 20 5 DGBDHO CC(C)[C@H](N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414785885 433836809 /nfs/dbraw/zinc/83/68/09/433836809.db2.gz ABCRLNADZNFXSH-CQSZACIVSA-N 1 3 319.430 3.396 20 5 DGBDHO CC(C)[C@H](N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414796734 433845263 /nfs/dbraw/zinc/84/52/63/433845263.db2.gz OOPNPQDWEDABEK-OAHLLOKOSA-N 1 3 319.430 3.396 20 5 DGBDHO C[C@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414884771 433900847 /nfs/dbraw/zinc/90/08/47/433900847.db2.gz BEOJEQOQDMGOBQ-LLVKDONJSA-N 1 3 305.403 3.150 20 5 DGBDHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414932218 433921839 /nfs/dbraw/zinc/92/18/39/433921839.db2.gz VNTYMHFAJNYSHQ-MXASKKJJSA-N 1 3 317.433 3.166 20 5 DGBDHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000538278051 435489534 /nfs/dbraw/zinc/48/95/34/435489534.db2.gz JGEWMASVDSHLAB-ZBFHGGJFSA-N 1 3 305.422 3.428 20 5 DGBDHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435390399 534691401 /nfs/dbraw/zinc/69/14/01/534691401.db2.gz OYYGKZIBHLXSCZ-GFCCVEGCSA-N 1 3 317.414 3.104 20 5 DGBDHO C[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432712 619634971 /nfs/dbraw/zinc/63/49/71/619634971.db2.gz WTLAEPDRIMNFAE-JSQNDZKTSA-N 1 3 317.433 3.065 20 5 DGBDHO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432712 619634974 /nfs/dbraw/zinc/63/49/74/619634974.db2.gz WTLAEPDRIMNFAE-JSQNDZKTSA-N 1 3 317.433 3.065 20 5 DGBDHO C[N@@H+]1CCC[C@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839180083 621343442 /nfs/dbraw/zinc/34/34/42/621343442.db2.gz CFKOWEOHYYOZON-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839180083 621343444 /nfs/dbraw/zinc/34/34/44/621343444.db2.gz CFKOWEOHYYOZON-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+](CCCCNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000835062492 629841511 /nfs/dbraw/zinc/84/15/11/629841511.db2.gz OXFXOPYVTSBXBM-UHFFFAOYSA-N 1 3 311.813 3.212 20 5 DGBDHO C[N@@H+](CCCCNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000835062492 629841515 /nfs/dbraw/zinc/84/15/15/629841515.db2.gz OXFXOPYVTSBXBM-UHFFFAOYSA-N 1 3 311.813 3.212 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124847 630616490 /nfs/dbraw/zinc/61/64/90/630616490.db2.gz JGVOZCFRLPVTBF-KBPBESRZSA-N 1 3 323.824 3.070 20 5 DGBDHO N[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188212 1091526668 /nfs/dbraw/zinc/52/66/68/1091526668.db2.gz UUQGDYPODMOERF-DLBZAZTESA-N 1 3 324.403 3.044 20 5 DGBDHO N[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188212 1091526676 /nfs/dbraw/zinc/52/66/76/1091526676.db2.gz UUQGDYPODMOERF-DLBZAZTESA-N 1 3 324.403 3.044 20 5 DGBDHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293146 1095507585 /nfs/dbraw/zinc/50/75/85/1095507585.db2.gz KMRXMAAHABXJKH-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000602022258 400406651 /nfs/dbraw/zinc/40/66/51/400406651.db2.gz SNBSXVFSZHNFSB-CYBMUJFWSA-N 1 3 311.385 3.091 20 5 DGBDHO [NH3+]C1(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738033 401166092 /nfs/dbraw/zinc/16/60/92/401166092.db2.gz ATGZTKQSGUJSJX-GOEBONIOSA-N 1 3 317.433 3.167 20 5 DGBDHO CC1(C)C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc21 ZINC000332026987 275868771 /nfs/dbraw/zinc/86/87/71/275868771.db2.gz RYRGOXCHQUGWRS-OZVIIMIRSA-N 1 3 303.406 3.177 20 5 DGBDHO CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414812958 276053518 /nfs/dbraw/zinc/05/35/18/276053518.db2.gz XUCRWNYVNXZMSZ-GDBMZVCRSA-N 1 3 305.422 3.325 20 5 DGBDHO C[NH+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123330656 431861294 /nfs/dbraw/zinc/86/12/94/431861294.db2.gz BTVOUAREEJBRGF-UHFFFAOYSA-N 1 3 305.422 3.149 20 5 DGBDHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000192925253 432428823 /nfs/dbraw/zinc/42/88/23/432428823.db2.gz LZLWXMGWYYOGLI-HNNXBMFYSA-N 1 3 305.422 3.430 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000449063938 433718584 /nfs/dbraw/zinc/71/85/84/433718584.db2.gz RZZYNCDMMXLGKR-HOTGVXAUSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@H+]1CCCC[C@@H]1C ZINC000449063938 433718594 /nfs/dbraw/zinc/71/85/94/433718594.db2.gz RZZYNCDMMXLGKR-HOTGVXAUSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCC[C@@H]1C ZINC000449063938 433718602 /nfs/dbraw/zinc/71/86/02/433718602.db2.gz RZZYNCDMMXLGKR-HOTGVXAUSA-N 1 3 319.449 3.380 20 5 DGBDHO CC(C)(N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414799768 433844723 /nfs/dbraw/zinc/84/47/23/433844723.db2.gz HCUNFWLRIOEPIZ-UHFFFAOYSA-N 1 3 305.403 3.150 20 5 DGBDHO C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000422918012 434109870 /nfs/dbraw/zinc/10/98/70/434109870.db2.gz HCNOSKFDVZHYGN-WMLDXEAASA-N 1 3 305.422 3.038 20 5 DGBDHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000322820728 434263572 /nfs/dbraw/zinc/26/35/72/434263572.db2.gz CEKNZHNLJBETCJ-BTFYYFJDSA-N 1 3 303.406 3.261 20 5 DGBDHO CSC1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000353606943 434267954 /nfs/dbraw/zinc/26/79/54/434267954.db2.gz FQUPQZUIZHWWAR-CYBMUJFWSA-N 1 3 323.462 3.073 20 5 DGBDHO CSC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000353606943 434267960 /nfs/dbraw/zinc/26/79/60/434267960.db2.gz FQUPQZUIZHWWAR-CYBMUJFWSA-N 1 3 323.462 3.073 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)C(C)C ZINC000423279211 434334116 /nfs/dbraw/zinc/33/41/16/434334116.db2.gz RUCVKHSNOHUTAX-QWHCGFSZSA-N 1 3 311.451 3.038 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423380717 434389441 /nfs/dbraw/zinc/38/94/41/434389441.db2.gz NUMKHPNIYKFYIM-MGPQQGTHSA-N 1 3 323.462 3.196 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423380717 434389447 /nfs/dbraw/zinc/38/94/47/434389447.db2.gz NUMKHPNIYKFYIM-MGPQQGTHSA-N 1 3 323.462 3.196 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423376929 434389998 /nfs/dbraw/zinc/38/99/98/434389998.db2.gz JKHOSZSAXJREKB-MCIONIFRSA-N 1 3 323.462 3.325 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)C(C)C ZINC000423279209 434335756 /nfs/dbraw/zinc/33/57/56/434335756.db2.gz RUCVKHSNOHUTAX-CHWSQXEVSA-N 1 3 311.451 3.038 20 5 DGBDHO C[N@@H+]1CCC[C@@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459789226 434720936 /nfs/dbraw/zinc/72/09/36/434720936.db2.gz QNFHTMJZDSIAQY-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459789226 434720943 /nfs/dbraw/zinc/72/09/43/434720943.db2.gz QNFHTMJZDSIAQY-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789102 619813796 /nfs/dbraw/zinc/81/37/96/619813796.db2.gz OFMHUPJQRYAVNP-CYBMUJFWSA-N 1 3 305.422 3.353 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261996594 657276295 /nfs/dbraw/zinc/27/62/95/657276295.db2.gz UPBDXRMJRFINNP-BBRMVZONSA-N 1 3 303.406 3.120 20 5 DGBDHO C[C@H](CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC001658642128 1196283263 /nfs/dbraw/zinc/28/32/63/1196283263.db2.gz PWTYLCKZSXRBFJ-VYDXJSESSA-N 1 3 319.449 3.236 20 5 DGBDHO NCCC[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254571671 1106106288 /nfs/dbraw/zinc/10/62/88/1106106288.db2.gz ADENEOGGXUMGOQ-GOSISDBHSA-N 1 3 317.433 3.046 20 5 DGBDHO NCCC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254571671 1106106293 /nfs/dbraw/zinc/10/62/93/1106106293.db2.gz ADENEOGGXUMGOQ-GOSISDBHSA-N 1 3 317.433 3.046 20 5 DGBDHO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427767 186071592 /nfs/dbraw/zinc/07/15/92/186071592.db2.gz CRBMGMQMYRQPCZ-KGLIPLIRSA-N 1 3 303.406 3.038 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CN1CCCC1 ZINC000449282141 240109031 /nfs/dbraw/zinc/10/90/31/240109031.db2.gz FVSSQOFIRUWERO-OAHLLOKOSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(C)(C)C[NH+]1CCCC1 ZINC000449282141 240109038 /nfs/dbraw/zinc/10/90/38/240109038.db2.gz FVSSQOFIRUWERO-OAHLLOKOSA-N 1 3 319.449 3.237 20 5 DGBDHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072065 400950253 /nfs/dbraw/zinc/95/02/53/400950253.db2.gz XHNSTWHFDYCBIG-WMLDXEAASA-N 1 3 305.422 3.367 20 5 DGBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000594490629 401078657 /nfs/dbraw/zinc/07/86/57/401078657.db2.gz NYTMXBPBURBBKS-MRXNPFEDSA-N 1 3 303.406 3.048 20 5 DGBDHO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000347017045 264141176 /nfs/dbraw/zinc/14/11/76/264141176.db2.gz DGPKIYOTFJMDON-ALCCZGGFSA-N 1 3 303.406 3.072 20 5 DGBDHO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000347017045 264141179 /nfs/dbraw/zinc/14/11/79/264141179.db2.gz DGPKIYOTFJMDON-ALCCZGGFSA-N 1 3 303.406 3.072 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C(C)(C)C)CC1 ZINC000449091277 274231408 /nfs/dbraw/zinc/23/14/08/274231408.db2.gz POVQOOQRWSLEAG-AWEZNQCLSA-N 1 3 319.449 3.378 20 5 DGBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423383699 275037965 /nfs/dbraw/zinc/03/79/65/275037965.db2.gz KPYDXLSFJMNZLZ-IBGZPJMESA-N 1 3 323.396 3.365 20 5 DGBDHO CC(C)c1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000430938322 276052649 /nfs/dbraw/zinc/05/26/49/276052649.db2.gz BBPPPRHIHWZRCC-UHFFFAOYSA-N 1 3 317.433 3.294 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCC[NH+](C)C ZINC000271106619 432330389 /nfs/dbraw/zinc/33/03/89/432330389.db2.gz GHGORYSYAOAHJE-CYBMUJFWSA-N 1 3 311.451 3.007 20 5 DGBDHO Cc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290525304 433078571 /nfs/dbraw/zinc/07/85/71/433078571.db2.gz QGFFLMLQKRUYCE-KRWDZBQOSA-N 1 3 317.433 3.067 20 5 DGBDHO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000425919911 433374796 /nfs/dbraw/zinc/37/47/96/433374796.db2.gz GSQXEFFDUWZQBO-BLLLJJGKSA-N 1 3 305.422 3.105 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000414359602 433567729 /nfs/dbraw/zinc/56/77/29/433567729.db2.gz OULIKTREHWIYIA-WMZOPIPTSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000414359602 433567743 /nfs/dbraw/zinc/56/77/43/433567743.db2.gz OULIKTREHWIYIA-WMZOPIPTSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)cc1 ZINC000414359602 433567755 /nfs/dbraw/zinc/56/77/55/433567755.db2.gz OULIKTREHWIYIA-WMZOPIPTSA-N 1 3 317.433 3.134 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC(C)CC1 ZINC000449059921 433715010 /nfs/dbraw/zinc/71/50/10/433715010.db2.gz DDUBCZSXFGMUDV-INIZCTEOSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCC(C)CC1 ZINC000449059921 433715020 /nfs/dbraw/zinc/71/50/20/433715020.db2.gz DDUBCZSXFGMUDV-INIZCTEOSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000449063937 433718829 /nfs/dbraw/zinc/71/88/29/433718829.db2.gz RZZYNCDMMXLGKR-CVEARBPZSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@H+]1CCCC[C@@H]1C ZINC000449063937 433718844 /nfs/dbraw/zinc/71/88/44/433718844.db2.gz RZZYNCDMMXLGKR-CVEARBPZSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCC[C@@H]1C ZINC000449063937 433718852 /nfs/dbraw/zinc/71/88/52/433718852.db2.gz RZZYNCDMMXLGKR-CVEARBPZSA-N 1 3 319.449 3.380 20 5 DGBDHO CCCC[C@H](C[NH3+])N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298113 434349467 /nfs/dbraw/zinc/34/94/67/434349467.db2.gz NEWAPAGMFHICLP-CVEARBPZSA-N 1 3 305.422 3.023 20 5 DGBDHO C[C@H]1CC2(CN1C/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378454 434714724 /nfs/dbraw/zinc/71/47/24/434714724.db2.gz NELBVDQFWQWUDS-DRDHIDPGSA-N 1 3 315.417 3.072 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000894066456 618703320 /nfs/dbraw/zinc/70/33/20/618703320.db2.gz BYBOKJMIFJNSIP-UHFFFAOYSA-N 1 3 323.824 3.212 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000866282712 622084747 /nfs/dbraw/zinc/08/47/47/622084747.db2.gz PQYPIWNZIKKCBX-UHOFOFEASA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000866282712 622084748 /nfs/dbraw/zinc/08/47/48/622084748.db2.gz PQYPIWNZIKKCBX-UHOFOFEASA-N 1 3 323.412 3.127 20 5 DGBDHO Cc1ccc(CN2CCC3(CCC[C@H]3C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001579692286 1191987246 /nfs/dbraw/zinc/98/72/46/1191987246.db2.gz XNDNFZWPZFOAON-INIZCTEOSA-N 1 3 317.433 3.244 20 5 DGBDHO [NH3+]C[C@H]1CCCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206633116 1092765496 /nfs/dbraw/zinc/76/54/96/1092765496.db2.gz TVVKBDNGOWTWKB-OAHLLOKOSA-N 1 3 320.440 3.344 20 5 DGBDHO CCN(CC)CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899261 1097267141 /nfs/dbraw/zinc/26/71/41/1097267141.db2.gz VVJSXGRWVWZJSZ-QGZVFWFLSA-N 1 3 319.449 3.164 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCC(C)CC1 ZINC001173213929 1097381588 /nfs/dbraw/zinc/38/15/88/1097381588.db2.gz MDKGKPGNHPQGHT-MRXNPFEDSA-N 1 3 319.449 3.237 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175070291 1097937443 /nfs/dbraw/zinc/93/74/43/1097937443.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 1 3 317.433 3.238 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175070291 1097937448 /nfs/dbraw/zinc/93/74/48/1097937448.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 1 3 317.433 3.238 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CN1CCCCC1 ZINC000449089742 240012330 /nfs/dbraw/zinc/01/23/30/240012330.db2.gz LDXKKEVRNSQKOH-JKSUJKDBSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH+]1CCCCC1 ZINC000449089742 240012337 /nfs/dbraw/zinc/01/23/37/240012337.db2.gz LDXKKEVRNSQKOH-JKSUJKDBSA-N 1 3 319.449 3.237 20 5 DGBDHO Cc1c(CN2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000123129910 284232911 /nfs/dbraw/zinc/23/29/11/284232911.db2.gz YZDYXSDEJNRYDY-UHFFFAOYSA-N 1 3 319.449 3.457 20 5 DGBDHO CC[N@@H+]1CCC[C@@H]1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861816 254311621 /nfs/dbraw/zinc/31/16/21/254311621.db2.gz KADQQUMLGAKRNV-IDKBZEPQSA-N 1 3 303.406 3.072 20 5 DGBDHO CC[N@H+]1CCC[C@@H]1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861816 254311623 /nfs/dbraw/zinc/31/16/23/254311623.db2.gz KADQQUMLGAKRNV-IDKBZEPQSA-N 1 3 303.406 3.072 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C[NH+](C)C)CC1 ZINC000470176144 533407834 /nfs/dbraw/zinc/40/78/34/533407834.db2.gz UVPVMDMGORHCIQ-RVDMUPIBSA-N 1 3 317.433 3.272 20 5 DGBDHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595101419 400106937 /nfs/dbraw/zinc/10/69/37/400106937.db2.gz FLFCOYHRNOQILS-CQSZACIVSA-N 1 3 317.433 3.367 20 5 DGBDHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195032 400273255 /nfs/dbraw/zinc/27/32/55/400273255.db2.gz BZLDSUGYAGBBHO-JKSUJKDBSA-N 1 3 319.449 3.236 20 5 DGBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901498 400290957 /nfs/dbraw/zinc/29/09/57/400290957.db2.gz XKQKUYRQZXEQIP-PBHICJAKSA-N 1 3 317.433 3.367 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364448481 287027847 /nfs/dbraw/zinc/02/78/47/287027847.db2.gz QKWZQFOJOPZPDI-PVAVHDDUSA-N 1 3 317.433 3.132 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364448481 287027850 /nfs/dbraw/zinc/02/78/50/287027850.db2.gz QKWZQFOJOPZPDI-PVAVHDDUSA-N 1 3 317.433 3.132 20 5 DGBDHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362617 431892248 /nfs/dbraw/zinc/89/22/48/431892248.db2.gz LPVRNZOOMZMZJX-UONOGXRCSA-N 1 3 303.406 3.038 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC(C)CC1 ZINC000449059922 433716533 /nfs/dbraw/zinc/71/65/33/433716533.db2.gz DDUBCZSXFGMUDV-MRXNPFEDSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCC(C)CC1 ZINC000449059922 433716545 /nfs/dbraw/zinc/71/65/45/433716545.db2.gz DDUBCZSXFGMUDV-MRXNPFEDSA-N 1 3 319.449 3.237 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)C(C)C ZINC000423279212 434334800 /nfs/dbraw/zinc/33/48/00/434334800.db2.gz RUCVKHSNOHUTAX-STQMWFEESA-N 1 3 311.451 3.038 20 5 DGBDHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023787 435511085 /nfs/dbraw/zinc/51/10/85/435511085.db2.gz AHCRXIFDEIKCGJ-KSSFIOAISA-N 1 3 317.433 3.294 20 5 DGBDHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023787 435511087 /nfs/dbraw/zinc/51/10/87/435511087.db2.gz AHCRXIFDEIKCGJ-KSSFIOAISA-N 1 3 317.433 3.294 20 5 DGBDHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000538278048 435490774 /nfs/dbraw/zinc/49/07/74/435490774.db2.gz JGEWMASVDSHLAB-GDBMZVCRSA-N 1 3 305.422 3.428 20 5 DGBDHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130739 535176311 /nfs/dbraw/zinc/17/63/11/535176311.db2.gz HOWRWEOZUUSZKD-HZPDHXFCSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130739 535176318 /nfs/dbraw/zinc/17/63/18/535176318.db2.gz HOWRWEOZUUSZKD-HZPDHXFCSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130739 535176319 /nfs/dbraw/zinc/17/63/19/535176319.db2.gz HOWRWEOZUUSZKD-HZPDHXFCSA-N 1 3 319.449 3.236 20 5 DGBDHO [NH3+]C[C@H]1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000902487329 619646256 /nfs/dbraw/zinc/64/62/56/619646256.db2.gz SXVQHXZQLXXYSO-OWQGQXMQSA-N 1 3 311.385 3.011 20 5 DGBDHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382648 1108438260 /nfs/dbraw/zinc/43/82/60/1108438260.db2.gz HYMHNUGTKQKADK-YOEHRIQHSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000449237112 240084130 /nfs/dbraw/zinc/08/41/30/240084130.db2.gz AQXGCJXFWLCRTP-CVEARBPZSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[C@H](C)[NH+]1CCCCC1 ZINC000449237112 240084137 /nfs/dbraw/zinc/08/41/37/240084137.db2.gz AQXGCJXFWLCRTP-CVEARBPZSA-N 1 3 319.449 3.380 20 5 DGBDHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543773 241165590 /nfs/dbraw/zinc/16/55/90/241165590.db2.gz CRQLBOKWMBNBTN-IAGOWNOFSA-N 1 3 317.433 3.259 20 5 DGBDHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543773 241165595 /nfs/dbraw/zinc/16/55/95/241165595.db2.gz CRQLBOKWMBNBTN-IAGOWNOFSA-N 1 3 317.433 3.259 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000468731990 533408569 /nfs/dbraw/zinc/40/85/69/533408569.db2.gz DVJBFVWLJHMOJO-PNUWANSTSA-N 1 3 317.433 3.461 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000468731990 533408572 /nfs/dbraw/zinc/40/85/72/533408572.db2.gz DVJBFVWLJHMOJO-PNUWANSTSA-N 1 3 317.433 3.461 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000468650667 533410237 /nfs/dbraw/zinc/41/02/37/533410237.db2.gz VFKCSVCJGLXUJR-YUOYJMCBSA-N 1 3 303.406 3.070 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468650667 533410245 /nfs/dbraw/zinc/41/02/45/533410245.db2.gz VFKCSVCJGLXUJR-YUOYJMCBSA-N 1 3 303.406 3.070 20 5 DGBDHO C[NH+](C)CCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000123130175 431855785 /nfs/dbraw/zinc/85/57/85/431855785.db2.gz PKTYGZFCGDSSDG-UHFFFAOYSA-N 1 3 305.422 3.149 20 5 DGBDHO C[NH+](C)CCCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000123530300 431867592 /nfs/dbraw/zinc/86/75/92/431867592.db2.gz WJCTWBLCQCLKAC-UHFFFAOYSA-N 1 3 305.422 3.149 20 5 DGBDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000192925241 432428480 /nfs/dbraw/zinc/42/84/80/432428480.db2.gz LZLWXMGWYYOGLI-OAHLLOKOSA-N 1 3 305.422 3.430 20 5 DGBDHO C[NH2+]CCC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420314605 433158543 /nfs/dbraw/zinc/15/85/43/433158543.db2.gz VXIDSOSZVCBJAP-AWEZNQCLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173008 433436783 /nfs/dbraw/zinc/43/67/83/433436783.db2.gz FYBGVDHPXFQLGT-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173008 433436789 /nfs/dbraw/zinc/43/67/89/433436789.db2.gz FYBGVDHPXFQLGT-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO CC(C)[C@@H](N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414785883 433835868 /nfs/dbraw/zinc/83/58/68/433835868.db2.gz ABCRLNADZNFXSH-AWEZNQCLSA-N 1 3 319.430 3.396 20 5 DGBDHO N[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414888119 433898307 /nfs/dbraw/zinc/89/83/07/433898307.db2.gz JUDLXJZVQQEEIL-CQSZACIVSA-N 1 3 317.414 3.150 20 5 DGBDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000422792659 434007392 /nfs/dbraw/zinc/00/73/92/434007392.db2.gz RHFVCGXTEZCQQK-HOCLYGCPSA-N 1 3 305.422 3.038 20 5 DGBDHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000414955895 293893458 /nfs/dbraw/zinc/89/34/58/293893458.db2.gz UWVSFLXZNJNNIH-SRABZTEZSA-N 1 3 317.433 3.036 20 5 DGBDHO C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000422918013 434109738 /nfs/dbraw/zinc/10/97/38/434109738.db2.gz HCNOSKFDVZHYGN-YOEHRIQHSA-N 1 3 305.422 3.038 20 5 DGBDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423011963 434166203 /nfs/dbraw/zinc/16/62/03/434166203.db2.gz JUDSLEJFIPLHEI-ZBFHGGJFSA-N 1 3 305.422 3.038 20 5 DGBDHO Cc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000423362324 434380751 /nfs/dbraw/zinc/38/07/51/434380751.db2.gz SQZPPEPDAAIWDT-CYBMUJFWSA-N 1 3 311.385 3.357 20 5 DGBDHO C[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423471993 434441675 /nfs/dbraw/zinc/44/16/75/434441675.db2.gz ZZOUYCFFUIAGCT-KSSFIOAISA-N 1 3 313.401 3.401 20 5 DGBDHO CN(C)CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579977577 435197134 /nfs/dbraw/zinc/19/71/34/435197134.db2.gz GRJQOKGKPNACLS-MRXNPFEDSA-N 1 3 317.433 3.294 20 5 DGBDHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381419 435428035 /nfs/dbraw/zinc/42/80/35/435428035.db2.gz LBVJATLKYWNPSO-NVXWUHKLSA-N 1 3 319.449 3.284 20 5 DGBDHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381419 435428039 /nfs/dbraw/zinc/42/80/39/435428039.db2.gz LBVJATLKYWNPSO-NVXWUHKLSA-N 1 3 319.449 3.284 20 5 DGBDHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414932343 303465668 /nfs/dbraw/zinc/46/56/68/303465668.db2.gz VNTYMHFAJNYSHQ-PQEBFOHHSA-N 1 3 317.433 3.166 20 5 DGBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248922 624463363 /nfs/dbraw/zinc/46/33/63/624463363.db2.gz YWPHDQBQDJQIGR-HNNXBMFYSA-N 1 3 317.433 3.464 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124849 630616237 /nfs/dbraw/zinc/61/62/37/630616237.db2.gz JGVOZCFRLPVTBF-UONOGXRCSA-N 1 3 323.824 3.070 20 5 DGBDHO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001168993420 1092477541 /nfs/dbraw/zinc/47/75/41/1092477541.db2.gz MXLNPJSMYBTONW-WMZOPIPTSA-N 1 3 323.481 3.066 20 5 DGBDHO CCC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579379 400542991 /nfs/dbraw/zinc/54/29/91/400542991.db2.gz UNKLRDSENACBNU-JKSUJKDBSA-N 1 3 303.406 3.168 20 5 DGBDHO CC1(C)C[C@@H](N[C@H]2CC23CC[NH2+]CC3)c2cc([N+](=O)[O-])ccc21 ZINC000591581815 400543138 /nfs/dbraw/zinc/54/31/38/400543138.db2.gz WUCWPSFBCJBZMS-CVEARBPZSA-N 1 3 315.417 3.049 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493984 400658290 /nfs/dbraw/zinc/65/82/90/400658290.db2.gz YFEQXCANLCHRIM-OWCLPIDISA-N 1 3 317.433 3.367 20 5 DGBDHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423284181 274948229 /nfs/dbraw/zinc/94/82/29/274948229.db2.gz WNHQDCPWHPUFMY-IAOVAPTHSA-N 1 3 303.406 3.079 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CCCCC1 ZINC000423261066 279382443 /nfs/dbraw/zinc/38/24/43/279382443.db2.gz IYEAQFZHPVOBJJ-CJNGLKHVSA-N 1 3 305.422 3.023 20 5 DGBDHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362132 431891742 /nfs/dbraw/zinc/89/17/42/431891742.db2.gz LPVRNZOOMZMZJX-KBPBESRZSA-N 1 3 303.406 3.038 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420305407 281022687 /nfs/dbraw/zinc/02/26/87/281022687.db2.gz KDOVYMVVEDRNHP-CLROSIBMSA-N 1 3 303.406 3.023 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCCCC1 ZINC000423203301 434281777 /nfs/dbraw/zinc/28/17/77/434281777.db2.gz SJTRBWHDNMWSOI-AWEZNQCLSA-N 1 3 305.422 3.167 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000423209641 434284717 /nfs/dbraw/zinc/28/47/17/434284717.db2.gz IZTCIOUZNASTLE-ZIAGYGMSSA-N 1 3 323.462 3.055 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCNC1 ZINC000423209641 434284727 /nfs/dbraw/zinc/28/47/27/434284727.db2.gz IZTCIOUZNASTLE-ZIAGYGMSSA-N 1 3 323.462 3.055 20 5 DGBDHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000423372859 434390504 /nfs/dbraw/zinc/39/05/04/434390504.db2.gz HIFPMVKSAAQZAC-GOSISDBHSA-N 1 3 311.385 3.439 20 5 DGBDHO CCC([NH3+])(CC)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423289058 434343097 /nfs/dbraw/zinc/34/30/97/434343097.db2.gz VYRCGZBYGOROFY-HNNXBMFYSA-N 1 3 305.422 3.023 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423380713 434392908 /nfs/dbraw/zinc/39/29/08/434392908.db2.gz NUMKHPNIYKFYIM-BFHYXJOUSA-N 1 3 323.462 3.196 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423380713 434392916 /nfs/dbraw/zinc/39/29/16/434392916.db2.gz NUMKHPNIYKFYIM-BFHYXJOUSA-N 1 3 323.462 3.196 20 5 DGBDHO Cc1c([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000423372084 434393600 /nfs/dbraw/zinc/39/36/00/434393600.db2.gz GRLGMNXSXNSJJP-CYBMUJFWSA-N 1 3 311.385 3.357 20 5 DGBDHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023785 435512418 /nfs/dbraw/zinc/51/24/18/435512418.db2.gz AHCRXIFDEIKCGJ-KDOFPFPSSA-N 1 3 317.433 3.294 20 5 DGBDHO C[N@H+]1CCC[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023785 435512422 /nfs/dbraw/zinc/51/24/22/435512422.db2.gz AHCRXIFDEIKCGJ-KDOFPFPSSA-N 1 3 317.433 3.294 20 5 DGBDHO CC(C)c1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442928108 528093308 /nfs/dbraw/zinc/09/33/08/528093308.db2.gz PIRHSKWNKXKWCW-CQSZACIVSA-N 1 3 305.422 3.279 20 5 DGBDHO C[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432711 619634995 /nfs/dbraw/zinc/63/49/95/619634995.db2.gz WTLAEPDRIMNFAE-IRWJRLHMSA-N 1 3 317.433 3.065 20 5 DGBDHO C[C@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432711 619634996 /nfs/dbraw/zinc/63/49/96/619634996.db2.gz WTLAEPDRIMNFAE-IRWJRLHMSA-N 1 3 317.433 3.065 20 5 DGBDHO C[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432714 619635004 /nfs/dbraw/zinc/63/50/04/619635004.db2.gz WTLAEPDRIMNFAE-YVVXQTMVSA-N 1 3 317.433 3.065 20 5 DGBDHO C[C@@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902432714 619635005 /nfs/dbraw/zinc/63/50/05/619635005.db2.gz WTLAEPDRIMNFAE-YVVXQTMVSA-N 1 3 317.433 3.065 20 5 DGBDHO CC1([NH+]2CCCC2)CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000886543858 627160621 /nfs/dbraw/zinc/16/06/21/627160621.db2.gz WJKHTKGVEBDIDC-UHFFFAOYSA-N 1 3 317.433 3.482 20 5 DGBDHO CC(C)CCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000924953881 627697423 /nfs/dbraw/zinc/69/74/23/627697423.db2.gz FEENJCRCOZXDOP-UHFFFAOYSA-N 1 3 319.449 3.237 20 5 DGBDHO CC(C)CC[NH+]1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000924953881 627697424 /nfs/dbraw/zinc/69/74/24/627697424.db2.gz FEENJCRCOZXDOP-UHFFFAOYSA-N 1 3 319.449 3.237 20 5 DGBDHO CC(C)CCN1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000925642952 627768425 /nfs/dbraw/zinc/76/84/25/627768425.db2.gz UNSXSIPSRDWPNI-UHFFFAOYSA-N 1 3 319.449 3.237 20 5 DGBDHO CC(C)CC[NH+]1CCC(NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000925642952 627768427 /nfs/dbraw/zinc/76/84/27/627768427.db2.gz UNSXSIPSRDWPNI-UHFFFAOYSA-N 1 3 319.449 3.237 20 5 DGBDHO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@@H]1CNCCCO1 ZINC000841085613 630406072 /nfs/dbraw/zinc/40/60/72/630406072.db2.gz IPVGTPNGAWKDPL-SFHVURJKSA-N 1 3 320.436 3.461 20 5 DGBDHO C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065894 1083872902 /nfs/dbraw/zinc/87/29/02/1083872902.db2.gz RDVOLVZAVZIKIE-MAUKXSAKSA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065894 1083872917 /nfs/dbraw/zinc/87/29/17/1083872917.db2.gz RDVOLVZAVZIKIE-MAUKXSAKSA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065894 1083872929 /nfs/dbraw/zinc/87/29/29/1083872929.db2.gz RDVOLVZAVZIKIE-MAUKXSAKSA-N 1 3 319.449 3.190 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293145 1095508694 /nfs/dbraw/zinc/50/86/94/1095508694.db2.gz KMRXMAAHABXJKH-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC001175070290 1097937523 /nfs/dbraw/zinc/93/75/23/1097937523.db2.gz PYOIDWKHIRSQJZ-BMGDILEWSA-N 1 3 317.433 3.238 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094259 1105886940 /nfs/dbraw/zinc/88/69/40/1105886940.db2.gz BANZXHJUWLMEJH-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO O=[N+]([O-])c1ccc(Cl)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000278307075 214079840 /nfs/dbraw/zinc/07/98/40/214079840.db2.gz DLWRLSJACOLAGH-UHFFFAOYSA-N 1 3 323.824 3.212 20 5 DGBDHO C[NH+]1CCC(CCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000134913325 432089174 /nfs/dbraw/zinc/08/91/74/432089174.db2.gz CRPKLMGJXSDLJZ-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCCC1 ZINC000468630531 244057302 /nfs/dbraw/zinc/05/73/02/244057302.db2.gz YVJONRHZXQORMH-SSZFMOIBSA-N 1 3 317.433 3.464 20 5 DGBDHO CC[NH+]1CCC(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468653918 244060051 /nfs/dbraw/zinc/06/00/51/244060051.db2.gz RQPGELJGFUZYFC-KAMYIIQDSA-N 1 3 303.406 3.072 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000468731992 533384170 /nfs/dbraw/zinc/38/41/70/533384170.db2.gz DVJBFVWLJHMOJO-YWALDVPYSA-N 1 3 317.433 3.461 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000468731992 533384175 /nfs/dbraw/zinc/38/41/75/533384175.db2.gz DVJBFVWLJHMOJO-YWALDVPYSA-N 1 3 317.433 3.461 20 5 DGBDHO Cc1c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900235 400290850 /nfs/dbraw/zinc/29/08/50/400290850.db2.gz BSXJSXVHOLQIEA-MRXNPFEDSA-N 1 3 317.433 3.115 20 5 DGBDHO CC[NH+](CC)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047978560 400638133 /nfs/dbraw/zinc/63/81/33/400638133.db2.gz DCUUEWKKECWPPC-UHFFFAOYSA-N 1 3 305.422 3.149 20 5 DGBDHO Cc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000594736595 401165548 /nfs/dbraw/zinc/16/55/48/401165548.db2.gz SKVWJYDDRXBQPT-QGZVFWFLSA-N 1 3 317.433 3.115 20 5 DGBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347168297 264168506 /nfs/dbraw/zinc/16/85/06/264168506.db2.gz MINSGPNPQQKNTI-XQDHMALISA-N 1 3 315.417 3.072 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000449096287 278298554 /nfs/dbraw/zinc/29/85/54/278298554.db2.gz GEIKLDCSPRHAMV-AWEZNQCLSA-N 1 3 317.433 3.132 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338158 278866777 /nfs/dbraw/zinc/86/67/77/278866777.db2.gz PCYBNCONONJADV-KBXCAEBGSA-N 1 3 317.433 3.428 20 5 DGBDHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589535 432390017 /nfs/dbraw/zinc/39/00/17/432390017.db2.gz VUMQZFWWQDDNLF-INIZCTEOSA-N 1 3 305.422 3.150 20 5 DGBDHO NC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000414887801 433898464 /nfs/dbraw/zinc/89/84/64/433898464.db2.gz ZRAKUGPYTLSNTA-UHFFFAOYSA-N 1 3 317.414 3.294 20 5 DGBDHO C[C@H](C[NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414875699 433894585 /nfs/dbraw/zinc/89/45/85/433894585.db2.gz KIBJXCZKNVVBFS-LLVKDONJSA-N 1 3 305.403 3.008 20 5 DGBDHO C[NH+](C)C1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000353675627 434326804 /nfs/dbraw/zinc/32/68/04/434326804.db2.gz VEONSEISSDHGJQ-UHFFFAOYSA-N 1 3 311.813 3.211 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000415069951 534887799 /nfs/dbraw/zinc/88/77/99/534887799.db2.gz PRWRVHKITSJWPP-PBHICJAKSA-N 1 3 317.433 3.038 20 5 DGBDHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621821 535523122 /nfs/dbraw/zinc/52/31/22/535523122.db2.gz ZCCAKTPYIUHCFN-OBHPCNEJSA-N 1 3 317.433 3.320 20 5 DGBDHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621821 535523129 /nfs/dbraw/zinc/52/31/29/535523129.db2.gz ZCCAKTPYIUHCFN-OBHPCNEJSA-N 1 3 317.433 3.320 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621821 535523134 /nfs/dbraw/zinc/52/31/34/535523134.db2.gz ZCCAKTPYIUHCFN-OBHPCNEJSA-N 1 3 317.433 3.320 20 5 DGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385734 622108176 /nfs/dbraw/zinc/10/81/76/622108176.db2.gz PXQCPOGKYDACFH-WFASDCNBSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385734 622108180 /nfs/dbraw/zinc/10/81/80/622108180.db2.gz PXQCPOGKYDACFH-WFASDCNBSA-N 1 3 323.412 3.127 20 5 DGBDHO Cc1c(C[NH2+][C@H](CCN(C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000779197864 623740855 /nfs/dbraw/zinc/74/08/55/623740855.db2.gz MNCPFAUCVPVBQS-MRXNPFEDSA-N 1 3 307.438 3.359 20 5 DGBDHO Cc1cc2cc3cc(C)c(NC4=CC[NH2+]C4)cc3nc2cc1N ZINC001160223669 1088707498 /nfs/dbraw/zinc/70/74/98/1088707498.db2.gz VANXDMNDAQDJLR-UHFFFAOYSA-N 1 3 304.397 3.486 20 5 DGBDHO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001168993415 1092476634 /nfs/dbraw/zinc/47/66/34/1092476634.db2.gz MXLNPJSMYBTONW-FUHWJXTLSA-N 1 3 323.481 3.066 20 5 DGBDHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382646 1108439025 /nfs/dbraw/zinc/43/90/25/1108439025.db2.gz HYMHNUGTKQKADK-WMLDXEAASA-N 1 3 305.422 3.367 20 5 DGBDHO [NH3+]C[C@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415018413 237010141 /nfs/dbraw/zinc/01/01/41/237010141.db2.gz BTJLEHWLPXGUEO-HAQNSBGRSA-N 1 3 311.813 3.103 20 5 DGBDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130738 240030658 /nfs/dbraw/zinc/03/06/58/240030658.db2.gz HOWRWEOZUUSZKD-HOTGVXAUSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130738 240030663 /nfs/dbraw/zinc/03/06/63/240030663.db2.gz HOWRWEOZUUSZKD-HOTGVXAUSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130738 240030664 /nfs/dbraw/zinc/03/06/64/240030664.db2.gz HOWRWEOZUUSZKD-HOTGVXAUSA-N 1 3 319.449 3.236 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCCC1 ZINC000468630530 244057328 /nfs/dbraw/zinc/05/73/28/244057328.db2.gz YVJONRHZXQORMH-DTQAZKPQSA-N 1 3 317.433 3.464 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900988 400291176 /nfs/dbraw/zinc/29/11/76/400291176.db2.gz RGVKHGGGHGEHDN-HOCLYGCPSA-N 1 3 317.433 3.367 20 5 DGBDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599069291 400948251 /nfs/dbraw/zinc/94/82/51/400948251.db2.gz FBUASXQCMCUMCV-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO [NH3+]CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000346685682 264079899 /nfs/dbraw/zinc/07/98/99/264079899.db2.gz IZWTXPTUSLDMIM-UHFFFAOYSA-N 1 3 315.373 3.026 20 5 DGBDHO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000347017064 264141429 /nfs/dbraw/zinc/14/14/29/264141429.db2.gz DGPKIYOTFJMDON-FNORWQNLSA-N 1 3 303.406 3.072 20 5 DGBDHO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCNCC1 ZINC000347017064 264141430 /nfs/dbraw/zinc/14/14/30/264141430.db2.gz DGPKIYOTFJMDON-FNORWQNLSA-N 1 3 303.406 3.072 20 5 DGBDHO CC(C)c1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000347049254 264146904 /nfs/dbraw/zinc/14/69/04/264146904.db2.gz QINPJJMHPISIQI-ZDUSSCGKSA-N 1 3 305.422 3.277 20 5 DGBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347168296 264168386 /nfs/dbraw/zinc/16/83/86/264168386.db2.gz MINSGPNPQQKNTI-UKINESCASA-N 1 3 315.417 3.072 20 5 DGBDHO C[N@H+]1CC=C(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279144468 277023178 /nfs/dbraw/zinc/02/31/78/277023178.db2.gz SEGIHZMHQZLDET-QGZVFWFLSA-N 1 3 315.417 3.169 20 5 DGBDHO C[N@@H+]1CC=C(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279144468 277023179 /nfs/dbraw/zinc/02/31/79/277023179.db2.gz SEGIHZMHQZLDET-QGZVFWFLSA-N 1 3 315.417 3.169 20 5 DGBDHO CC[NH+]1CCC(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963761 431945666 /nfs/dbraw/zinc/94/56/66/431945666.db2.gz TYLKKYQHMSNTKY-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO Cc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290525308 433079492 /nfs/dbraw/zinc/07/94/92/433079492.db2.gz QGFFLMLQKRUYCE-QGZVFWFLSA-N 1 3 317.433 3.067 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414795285 433839317 /nfs/dbraw/zinc/83/93/17/433839317.db2.gz GMFVNEVABCKISN-VNQPRFMTSA-N 1 3 305.422 3.023 20 5 DGBDHO C[C@@H](CC[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414887350 433898518 /nfs/dbraw/zinc/89/85/18/433898518.db2.gz DKEFCEJDEQXMBN-NSHDSACASA-N 1 3 305.403 3.150 20 5 DGBDHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423284182 434340249 /nfs/dbraw/zinc/34/02/49/434340249.db2.gz WNHQDCPWHPUFMY-JQFCIGGWSA-N 1 3 303.406 3.079 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000531945192 435129524 /nfs/dbraw/zinc/12/95/24/435129524.db2.gz HHCFOMYSLBDBMG-HNNXBMFYSA-N 1 3 305.422 3.430 20 5 DGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385733 622108023 /nfs/dbraw/zinc/10/80/23/622108023.db2.gz PXQCPOGKYDACFH-SWLSCSKDSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385733 622108026 /nfs/dbraw/zinc/10/80/26/622108026.db2.gz PXQCPOGKYDACFH-SWLSCSKDSA-N 1 3 323.412 3.127 20 5 DGBDHO C[NH+](C)C[C@@](C)(O)CNCc1c2ccccc2cc2ccccc21 ZINC000131373788 626632471 /nfs/dbraw/zinc/63/24/71/626632471.db2.gz WWFBUZOPVOGWHF-NRFANRHFSA-N 1 3 322.452 3.395 20 5 DGBDHO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@H]1CNCCCO1 ZINC000841085612 630405904 /nfs/dbraw/zinc/40/59/04/630405904.db2.gz IPVGTPNGAWKDPL-GOSISDBHSA-N 1 3 320.436 3.461 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124848 630616724 /nfs/dbraw/zinc/61/67/24/630616724.db2.gz JGVOZCFRLPVTBF-KGLIPLIRSA-N 1 3 323.824 3.070 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261996604 657276364 /nfs/dbraw/zinc/27/63/64/657276364.db2.gz UPBDXRMJRFINNP-CZUORRHYSA-N 1 3 303.406 3.120 20 5 DGBDHO N[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1F ZINC001206188223 1091526457 /nfs/dbraw/zinc/52/64/57/1091526457.db2.gz UUQGDYPODMOERF-SJORKVTESA-N 1 3 324.403 3.044 20 5 DGBDHO N[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1F ZINC001206188223 1091526465 /nfs/dbraw/zinc/52/64/65/1091526465.db2.gz UUQGDYPODMOERF-SJORKVTESA-N 1 3 324.403 3.044 20 5 DGBDHO CCCC[N@H+](C)CCCN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215372 1097367754 /nfs/dbraw/zinc/36/77/54/1097367754.db2.gz VOEVEYSYNOWCRG-OAHLLOKOSA-N 1 3 307.438 3.237 20 5 DGBDHO CCCC[N@@H+](C)CCCN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215372 1097367758 /nfs/dbraw/zinc/36/77/58/1097367758.db2.gz VOEVEYSYNOWCRG-OAHLLOKOSA-N 1 3 307.438 3.237 20 5 DGBDHO CCCCN(C)CCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215372 1097367766 /nfs/dbraw/zinc/36/77/66/1097367766.db2.gz VOEVEYSYNOWCRG-OAHLLOKOSA-N 1 3 307.438 3.237 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC001173217098 1097368968 /nfs/dbraw/zinc/36/89/68/1097368968.db2.gz LLKMKRAQCQLBEO-JKSUJKDBSA-N 1 3 319.449 3.380 20 5 DGBDHO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382642 1108438946 /nfs/dbraw/zinc/43/89/46/1108438946.db2.gz HYMHNUGTKQKADK-PBHICJAKSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900365 400290877 /nfs/dbraw/zinc/29/08/77/400290877.db2.gz DHBBOCMLZPQGCV-RHSMWYFYSA-N 1 3 317.433 3.367 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000591278478 400505556 /nfs/dbraw/zinc/50/55/56/400505556.db2.gz GEOOWJFVNXQSCS-USXIJHARSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591282645 400506277 /nfs/dbraw/zinc/50/62/77/400506277.db2.gz JURCBXJFUKOCHM-GDBMZVCRSA-N 1 3 317.433 3.180 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282645 400506282 /nfs/dbraw/zinc/50/62/82/400506282.db2.gz JURCBXJFUKOCHM-GDBMZVCRSA-N 1 3 317.433 3.180 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000591578319 400541218 /nfs/dbraw/zinc/54/12/18/400541218.db2.gz QICFNHYIDBJGPN-ZIAGYGMSSA-N 1 3 323.462 3.197 20 5 DGBDHO C[C@@H]1CC2(CN1Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000591668410 400549067 /nfs/dbraw/zinc/54/90/67/400549067.db2.gz MMDKKLUCHFZCFS-GFCCVEGCSA-N 1 3 323.824 3.212 20 5 DGBDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599069289 400949167 /nfs/dbraw/zinc/94/91/67/400949167.db2.gz FBUASXQCMCUMCV-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262051545 165782125 /nfs/dbraw/zinc/78/21/25/165782125.db2.gz CXINFESUILKMBI-HOCLYGCPSA-N 1 3 305.422 3.038 20 5 DGBDHO CCC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124166015 431885025 /nfs/dbraw/zinc/88/50/25/431885025.db2.gz DTUQAIBMLGUGGV-RHSMWYFYSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@@H](C[NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414875700 433894811 /nfs/dbraw/zinc/89/48/11/433894811.db2.gz KIBJXCZKNVVBFS-NSHDSACASA-N 1 3 305.403 3.008 20 5 DGBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422785076 434001108 /nfs/dbraw/zinc/00/11/08/434001108.db2.gz JHHUHLCILQAIBL-GVDBMIGSSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000903987832 619852523 /nfs/dbraw/zinc/85/25/23/619852523.db2.gz KVCWPDXGGINIES-LLVKDONJSA-N 1 3 317.414 3.153 20 5 DGBDHO CC(C)[NH+]1CCC(CCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000865715086 621982080 /nfs/dbraw/zinc/98/20/80/621982080.db2.gz IYKLPUKUWPOIHD-UHFFFAOYSA-N 1 3 305.422 3.195 20 5 DGBDHO Cc1ccc(CN2CCC3(CCC[C@@H]3C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001579692296 1191987003 /nfs/dbraw/zinc/98/70/03/1191987003.db2.gz XNDNFZWPZFOAON-MRXNPFEDSA-N 1 3 317.433 3.244 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246646037 1104644336 /nfs/dbraw/zinc/64/43/36/1104644336.db2.gz GIAVBYLSGGYDAV-HNNXBMFYSA-N 1 3 317.433 3.134 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCCC12CCNCC2 ZINC001246646037 1104644340 /nfs/dbraw/zinc/64/43/40/1104644340.db2.gz GIAVBYLSGGYDAV-HNNXBMFYSA-N 1 3 317.433 3.134 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCCC12CC[NH2+]CC2 ZINC001246646037 1104644343 /nfs/dbraw/zinc/64/43/43/1104644343.db2.gz GIAVBYLSGGYDAV-HNNXBMFYSA-N 1 3 317.433 3.134 20 5 DGBDHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094558 1105887550 /nfs/dbraw/zinc/88/75/50/1105887550.db2.gz FDPNQEAVDRPVKP-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO CCCC[N@H+](C)CCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534731 1106095877 /nfs/dbraw/zinc/09/58/77/1106095877.db2.gz CDNKDNYXWFNGLD-HNNXBMFYSA-N 1 3 307.438 3.237 20 5 DGBDHO CCCC[N@@H+](C)CCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534731 1106095879 /nfs/dbraw/zinc/09/58/79/1106095879.db2.gz CDNKDNYXWFNGLD-HNNXBMFYSA-N 1 3 307.438 3.237 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCC1 ZINC000344796742 254306683 /nfs/dbraw/zinc/30/66/83/254306683.db2.gz VJFQCORWISAVSP-NTCAYCPXSA-N 1 3 303.406 3.074 20 5 DGBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000289897854 221301911 /nfs/dbraw/zinc/30/19/11/221301911.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 1 3 315.417 3.165 20 5 DGBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000289897854 221301912 /nfs/dbraw/zinc/30/19/12/221301912.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 1 3 315.417 3.165 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000591275682 400505316 /nfs/dbraw/zinc/50/53/16/400505316.db2.gz XCVSMHBQRRWCTQ-XIRDDKMYSA-N 1 3 317.433 3.038 20 5 DGBDHO CC1(C)C[C@H](N[C@@H]2CC23CC[NH2+]CC3)c2cc([N+](=O)[O-])ccc21 ZINC000591581818 400542767 /nfs/dbraw/zinc/54/27/67/400542767.db2.gz WUCWPSFBCJBZMS-JKSUJKDBSA-N 1 3 315.417 3.049 20 5 DGBDHO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cccc1[N+](=O)[O-] ZINC000599069298 400948335 /nfs/dbraw/zinc/94/83/35/400948335.db2.gz FKLKHOIQPPOHJZ-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000598994789 400923148 /nfs/dbraw/zinc/92/31/48/400923148.db2.gz RZTYOCIFIQYHRP-MJSCBBHESA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000598994789 400923154 /nfs/dbraw/zinc/92/31/54/400923154.db2.gz RZTYOCIFIQYHRP-MJSCBBHESA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000598994789 400923158 /nfs/dbraw/zinc/92/31/58/400923158.db2.gz RZTYOCIFIQYHRP-MJSCBBHESA-N 1 3 317.433 3.320 20 5 DGBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000594490626 401078576 /nfs/dbraw/zinc/07/85/76/401078576.db2.gz NYTMXBPBURBBKS-INIZCTEOSA-N 1 3 303.406 3.048 20 5 DGBDHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331959 276212332 /nfs/dbraw/zinc/21/23/32/276212332.db2.gz WSFYCZAKVHKGCX-KBXCAEBGSA-N 1 3 317.433 3.294 20 5 DGBDHO CC(C)c1ccc(CN(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000093089004 431913580 /nfs/dbraw/zinc/91/35/80/431913580.db2.gz SJJNJLPKAINCHQ-UHFFFAOYSA-N 1 3 319.449 3.492 20 5 DGBDHO Cc1c([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178255315 432712122 /nfs/dbraw/zinc/71/21/22/432712122.db2.gz GPVCDEQHGVCBIS-AWEZNQCLSA-N 1 3 317.433 3.428 20 5 DGBDHO C[NH+]1CCC(C)(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000230147904 432724369 /nfs/dbraw/zinc/72/43/69/432724369.db2.gz WWVDWHMZMFQSLY-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCCC[C@H]1C ZINC000449063939 433721850 /nfs/dbraw/zinc/72/18/50/433721850.db2.gz RZZYNCDMMXLGKR-HZPDHXFCSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCCC[N@H+]1CCCC[C@H]1C ZINC000449063939 433721859 /nfs/dbraw/zinc/72/18/59/433721859.db2.gz RZZYNCDMMXLGKR-HZPDHXFCSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCC[C@H]1C ZINC000449063939 433721865 /nfs/dbraw/zinc/72/18/65/433721865.db2.gz RZZYNCDMMXLGKR-HZPDHXFCSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(C[NH+](C)C)CCCC1 ZINC000449243821 433731621 /nfs/dbraw/zinc/73/16/21/433731621.db2.gz NQCYQEOEQXPFDO-OAHLLOKOSA-N 1 3 319.449 3.237 20 5 DGBDHO CCC([NH3+])(CC)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423289059 434346858 /nfs/dbraw/zinc/34/68/58/434346858.db2.gz VYRCGZBYGOROFY-OAHLLOKOSA-N 1 3 305.422 3.023 20 5 DGBDHO C[C@H](CCC[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415025569 533869895 /nfs/dbraw/zinc/86/98/95/533869895.db2.gz REOZERPHGCBVMW-GFCCVEGCSA-N 1 3 303.362 3.072 20 5 DGBDHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543774 536389853 /nfs/dbraw/zinc/38/98/53/536389853.db2.gz CRQLBOKWMBNBTN-IRXDYDNUSA-N 1 3 317.433 3.259 20 5 DGBDHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543774 536389856 /nfs/dbraw/zinc/38/98/56/536389856.db2.gz CRQLBOKWMBNBTN-IRXDYDNUSA-N 1 3 317.433 3.259 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000419694700 546804705 /nfs/dbraw/zinc/80/47/05/546804705.db2.gz QNOCMRPWCUOUBW-HUUCEWRRSA-N 1 3 323.824 3.007 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000419694700 546804710 /nfs/dbraw/zinc/80/47/10/546804710.db2.gz QNOCMRPWCUOUBW-HUUCEWRRSA-N 1 3 323.824 3.007 20 5 DGBDHO CC(C)c1ccc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000904412692 619920975 /nfs/dbraw/zinc/92/09/75/619920975.db2.gz WJQFCIPTVWPDNW-HIFRSBDPSA-N 1 3 305.422 3.135 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000873063234 623029013 /nfs/dbraw/zinc/02/90/13/623029013.db2.gz ODLYNXPFTKZSFU-MQVJKMGUSA-N 1 3 317.433 3.317 20 5 DGBDHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000817963510 627977007 /nfs/dbraw/zinc/97/70/07/627977007.db2.gz SQGPUOUDSUFIPD-RYUDHWBXSA-N 1 3 314.389 3.048 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734923 1191990072 /nfs/dbraw/zinc/99/00/72/1191990072.db2.gz SZTLKAOYJZAUKM-MAUKXSAKSA-N 1 3 317.433 3.163 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094557 1105887512 /nfs/dbraw/zinc/88/75/12/1105887512.db2.gz FDPNQEAVDRPVKP-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560053 240287615 /nfs/dbraw/zinc/28/76/15/240287615.db2.gz FKBXZNOBOGOERA-PYNFMYHXSA-N 1 3 315.417 3.213 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCC1 ZINC000344796744 254306196 /nfs/dbraw/zinc/30/61/96/254306196.db2.gz VJFQCORWISAVSP-QINSGFPZSA-N 1 3 303.406 3.074 20 5 DGBDHO CC[N@@H+]1CCC[C@H]1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861822 254311649 /nfs/dbraw/zinc/31/16/49/254311649.db2.gz KADQQUMLGAKRNV-QXSWTLKVSA-N 1 3 303.406 3.072 20 5 DGBDHO CC[N@H+]1CCC[C@H]1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861822 254311650 /nfs/dbraw/zinc/31/16/50/254311650.db2.gz KADQQUMLGAKRNV-QXSWTLKVSA-N 1 3 303.406 3.072 20 5 DGBDHO CCC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579378 400542910 /nfs/dbraw/zinc/54/29/10/400542910.db2.gz UNKLRDSENACBNU-HZPDHXFCSA-N 1 3 303.406 3.168 20 5 DGBDHO O=[N+]([O-])c1ccccc1CN(CCCC1CC[NH2+]CC1)C1CC1 ZINC000592493896 400658338 /nfs/dbraw/zinc/65/83/38/400658338.db2.gz HSHIRKGSTVTXAS-UHFFFAOYSA-N 1 3 317.433 3.339 20 5 DGBDHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599069290 400948122 /nfs/dbraw/zinc/94/81/22/400948122.db2.gz FBUASXQCMCUMCV-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599069310 400948395 /nfs/dbraw/zinc/94/83/95/400948395.db2.gz FZGOJRYROVDBEG-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1cc(N[C@H](C)CC[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302199690 230156778 /nfs/dbraw/zinc/15/67/78/230156778.db2.gz UQBGINDITAXQMJ-LLVKDONJSA-N 1 3 302.378 3.204 20 5 DGBDHO C[NH2+]CC1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000347110857 264158195 /nfs/dbraw/zinc/15/81/95/264158195.db2.gz OBUHYGJMVVDKRB-UHFFFAOYSA-N 1 3 305.422 3.150 20 5 DGBDHO CC(C)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414812960 280605861 /nfs/dbraw/zinc/60/58/61/280605861.db2.gz XUCRWNYVNXZMSZ-HOCLYGCPSA-N 1 3 305.422 3.325 20 5 DGBDHO CCN1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214405 432946384 /nfs/dbraw/zinc/94/63/84/432946384.db2.gz YNSDUPQWDZYPLB-GUYCJALGSA-N 1 3 317.433 3.249 20 5 DGBDHO CCN1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214403 432946639 /nfs/dbraw/zinc/94/66/39/432946639.db2.gz YNSDUPQWDZYPLB-DYVFJYSZSA-N 1 3 317.433 3.249 20 5 DGBDHO CC[NH2+]CC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420288561 433144118 /nfs/dbraw/zinc/14/41/18/433144118.db2.gz JFVAIOIACIYYIW-CQSZACIVSA-N 1 3 305.422 3.286 20 5 DGBDHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414978550 433953564 /nfs/dbraw/zinc/95/35/64/433953564.db2.gz MKAYIGZGVFUTGW-LLVKDONJSA-N 1 3 305.403 3.150 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CCCCC1 ZINC000423261068 434319422 /nfs/dbraw/zinc/31/94/22/434319422.db2.gz IYEAQFZHPVOBJJ-XJKSGUPXSA-N 1 3 305.422 3.023 20 5 DGBDHO [NH3+]Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000517373095 294671297 /nfs/dbraw/zinc/67/12/97/294671297.db2.gz AWMULTOCPAPJNV-SFHVURJKSA-N 1 3 311.385 3.221 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790318 619811048 /nfs/dbraw/zinc/81/10/48/619811048.db2.gz BOPRVWNHBLXPCN-ZDUSSCGKSA-N 1 3 305.422 3.353 20 5 DGBDHO CC[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000817949978 627972650 /nfs/dbraw/zinc/97/26/50/627972650.db2.gz VMINUACIQSBCQQ-SFHVURJKSA-N 1 3 313.401 3.337 20 5 DGBDHO CC[NH+]1CCC(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC001461872732 1182867962 /nfs/dbraw/zinc/86/79/62/1182867962.db2.gz SSCUBKDHOPAGRX-UHFFFAOYSA-N 1 3 317.433 3.291 20 5 DGBDHO N[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1F ZINC001206188217 1091526753 /nfs/dbraw/zinc/52/67/53/1091526753.db2.gz UUQGDYPODMOERF-IAGOWNOFSA-N 1 3 324.403 3.044 20 5 DGBDHO N[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1F ZINC001206188217 1091526757 /nfs/dbraw/zinc/52/67/57/1091526757.db2.gz UUQGDYPODMOERF-IAGOWNOFSA-N 1 3 324.403 3.044 20 5 DGBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001168993417 1092476712 /nfs/dbraw/zinc/47/67/12/1092476712.db2.gz MXLNPJSMYBTONW-SJLPKXTDSA-N 1 3 323.481 3.066 20 5 DGBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423010050 237817144 /nfs/dbraw/zinc/81/71/44/237817144.db2.gz FRKXWBXLSVJXFH-KZNAEPCWSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000449237114 240084699 /nfs/dbraw/zinc/08/46/99/240084699.db2.gz AQXGCJXFWLCRTP-HZPDHXFCSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000449237114 240084703 /nfs/dbraw/zinc/08/47/03/240084703.db2.gz AQXGCJXFWLCRTP-HZPDHXFCSA-N 1 3 319.449 3.380 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C[NH+](C)C)CC1 ZINC000470176143 533382324 /nfs/dbraw/zinc/38/23/24/533382324.db2.gz UVPVMDMGORHCIQ-PTNGSMBKSA-N 1 3 317.433 3.272 20 5 DGBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901501 400290818 /nfs/dbraw/zinc/29/08/18/400290818.db2.gz XKQKUYRQZXEQIP-YOEHRIQHSA-N 1 3 317.433 3.367 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000591278479 400505419 /nfs/dbraw/zinc/50/54/19/400505419.db2.gz GEOOWJFVNXQSCS-XIRDDKMYSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591282646 400506500 /nfs/dbraw/zinc/50/65/00/400506500.db2.gz JURCBXJFUKOCHM-GOEBONIOSA-N 1 3 317.433 3.180 20 5 DGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282646 400506503 /nfs/dbraw/zinc/50/65/03/400506503.db2.gz JURCBXJFUKOCHM-GOEBONIOSA-N 1 3 317.433 3.180 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000598994790 400922784 /nfs/dbraw/zinc/92/27/84/400922784.db2.gz RZTYOCIFIQYHRP-OBHPCNEJSA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000598994790 400922789 /nfs/dbraw/zinc/92/27/89/400922789.db2.gz RZTYOCIFIQYHRP-OBHPCNEJSA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000598994790 400922795 /nfs/dbraw/zinc/92/27/95/400922795.db2.gz RZTYOCIFIQYHRP-OBHPCNEJSA-N 1 3 317.433 3.320 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000420324017 292295816 /nfs/dbraw/zinc/29/58/16/292295816.db2.gz AMDAQPVZSVTBPV-AWEZNQCLSA-N 1 3 303.406 3.040 20 5 DGBDHO Cc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000299600277 229248403 /nfs/dbraw/zinc/24/84/03/229248403.db2.gz HGSFJAWARNTXQB-UHFFFAOYSA-N 1 3 303.406 3.010 20 5 DGBDHO [NH3+]CC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000346679973 264078694 /nfs/dbraw/zinc/07/86/94/264078694.db2.gz BIJYEHLIMXIQFN-UHFFFAOYSA-N 1 3 315.373 3.026 20 5 DGBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423383706 275038498 /nfs/dbraw/zinc/03/84/98/275038498.db2.gz KPYDXLSFJMNZLZ-LJQANCHMSA-N 1 3 323.396 3.365 20 5 DGBDHO Cc1cc(NCC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262524160 280626647 /nfs/dbraw/zinc/62/66/47/280626647.db2.gz ORBUUMGKSHIDFS-GFCCVEGCSA-N 1 3 300.362 3.005 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152426979 432331803 /nfs/dbraw/zinc/33/18/03/432331803.db2.gz SQRNRFVDWRUYIO-KBPBESRZSA-N 1 3 303.406 3.038 20 5 DGBDHO C[C@@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414878680 433898384 /nfs/dbraw/zinc/89/83/84/433898384.db2.gz OPGIHHBAIDVFHK-NSHDSACASA-N 1 3 305.403 3.008 20 5 DGBDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000414955893 433935541 /nfs/dbraw/zinc/93/55/41/433935541.db2.gz UWVSFLXZNJNNIH-MUIFIZLQSA-N 1 3 317.433 3.036 20 5 DGBDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000422792660 434006520 /nfs/dbraw/zinc/00/65/20/434006520.db2.gz RHFVCGXTEZCQQK-ZBFHGGJFSA-N 1 3 305.422 3.038 20 5 DGBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422785078 434000828 /nfs/dbraw/zinc/00/08/28/434000828.db2.gz JHHUHLCILQAIBL-YESZJQIVSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@@H]1CC2(CN1C/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378452 434715041 /nfs/dbraw/zinc/71/50/41/434715041.db2.gz NELBVDQFWQWUDS-CSPWOOARSA-N 1 3 315.417 3.072 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000560897082 435194638 /nfs/dbraw/zinc/19/46/38/435194638.db2.gz SWCZJZNRAOGQLU-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000560897082 435194639 /nfs/dbraw/zinc/19/46/39/435194639.db2.gz SWCZJZNRAOGQLU-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000538278050 435490799 /nfs/dbraw/zinc/49/07/99/435490799.db2.gz JGEWMASVDSHLAB-HOCLYGCPSA-N 1 3 305.422 3.428 20 5 DGBDHO CC(C)c1ccc(CN2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000570574478 315659242 /nfs/dbraw/zinc/65/92/42/315659242.db2.gz MCYHUBKGFKINEW-UHFFFAOYSA-N 1 3 305.422 3.279 20 5 DGBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000584539683 337359382 /nfs/dbraw/zinc/35/93/82/337359382.db2.gz ALHGGZQUULJHIQ-QGZVFWFLSA-N 1 3 315.417 3.046 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000866282713 622084689 /nfs/dbraw/zinc/08/46/89/622084689.db2.gz PQYPIWNZIKKCBX-WQVCFCJDSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000866282713 622084691 /nfs/dbraw/zinc/08/46/91/622084691.db2.gz PQYPIWNZIKKCBX-WQVCFCJDSA-N 1 3 323.412 3.127 20 5 DGBDHO CCN1CCC[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029931 623021232 /nfs/dbraw/zinc/02/12/32/623021232.db2.gz WCOGAKXOKLFHIG-OAHLLOKOSA-N 1 3 305.422 3.033 20 5 DGBDHO Cc1c(CN[C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000925658010 627771677 /nfs/dbraw/zinc/77/16/77/627771677.db2.gz MKBUMKRDCSGJJR-QGZVFWFLSA-N 1 3 313.401 3.473 20 5 DGBDHO C[NH+]1CCC(N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347870 400512477 /nfs/dbraw/zinc/51/24/77/400512477.db2.gz GEPRRYHRKFWTPG-QGZVFWFLSA-N 1 3 303.406 3.046 20 5 DGBDHO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cccc1[N+](=O)[O-] ZINC000599069299 400949125 /nfs/dbraw/zinc/94/91/25/400949125.db2.gz FKLKHOIQPPOHJZ-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599071789 400949892 /nfs/dbraw/zinc/94/98/92/400949892.db2.gz SWIZXRNBOVTKAJ-HZPDHXFCSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000417353446 278285076 /nfs/dbraw/zinc/28/50/76/278285076.db2.gz XHALQHYSTOLBJT-SUMWQHHRSA-N 1 3 305.422 3.150 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152427171 432333064 /nfs/dbraw/zinc/33/30/64/432333064.db2.gz SQRNRFVDWRUYIO-UONOGXRCSA-N 1 3 303.406 3.038 20 5 DGBDHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178256993 432711807 /nfs/dbraw/zinc/71/18/07/432711807.db2.gz JXYXXRZEGPBRRG-CYBMUJFWSA-N 1 3 303.406 3.120 20 5 DGBDHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CN(C)C ZINC000425924544 433374047 /nfs/dbraw/zinc/37/40/47/433374047.db2.gz PPPLCZUDKJXANU-INMHGKMJSA-N 1 3 319.449 3.093 20 5 DGBDHO Cc1ccc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173004 433438782 /nfs/dbraw/zinc/43/87/82/433438782.db2.gz FYBGVDHPXFQLGT-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173004 433438792 /nfs/dbraw/zinc/43/87/92/433438792.db2.gz FYBGVDHPXFQLGT-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000351972039 433828078 /nfs/dbraw/zinc/82/80/78/433828078.db2.gz ZMJMLEBRMQLLLQ-AWEZNQCLSA-N 1 3 305.422 3.238 20 5 DGBDHO CSC1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000353606951 434266184 /nfs/dbraw/zinc/26/61/84/434266184.db2.gz FQUPQZUIZHWWAR-ZDUSSCGKSA-N 1 3 323.462 3.073 20 5 DGBDHO CSC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000353606951 434266193 /nfs/dbraw/zinc/26/61/93/434266193.db2.gz FQUPQZUIZHWWAR-ZDUSSCGKSA-N 1 3 323.462 3.073 20 5 DGBDHO CCOc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423279588 434331988 /nfs/dbraw/zinc/33/19/88/434331988.db2.gz ROGFCCZFMWFMSM-QEJZJMRPSA-N 1 3 321.421 3.162 20 5 DGBDHO CCCC[C@H](C[NH3+])N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298115 434349688 /nfs/dbraw/zinc/34/96/88/434349688.db2.gz NEWAPAGMFHICLP-HZPDHXFCSA-N 1 3 305.422 3.023 20 5 DGBDHO C[N@@H+]1CCC[C@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459789225 434722662 /nfs/dbraw/zinc/72/26/62/434722662.db2.gz QNFHTMJZDSIAQY-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459789225 434722669 /nfs/dbraw/zinc/72/26/69/434722669.db2.gz QNFHTMJZDSIAQY-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO CCCCN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577412845 316234347 /nfs/dbraw/zinc/23/43/47/316234347.db2.gz RCIIIKFFIBUJOZ-KRWDZBQOSA-N 1 3 317.433 3.436 20 5 DGBDHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184473695 323366194 /nfs/dbraw/zinc/36/61/94/323366194.db2.gz HBLYSXHKSLZXTJ-CQSZACIVSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423011962 534201382 /nfs/dbraw/zinc/20/13/82/534201382.db2.gz JUDSLEJFIPLHEI-HOCLYGCPSA-N 1 3 305.422 3.038 20 5 DGBDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130740 535176670 /nfs/dbraw/zinc/17/66/70/535176670.db2.gz HOWRWEOZUUSZKD-JKSUJKDBSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130740 535176672 /nfs/dbraw/zinc/17/66/72/535176672.db2.gz HOWRWEOZUUSZKD-JKSUJKDBSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130740 535176673 /nfs/dbraw/zinc/17/66/73/535176673.db2.gz HOWRWEOZUUSZKD-JKSUJKDBSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[NH+]1CCC(CCNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000865717142 621982602 /nfs/dbraw/zinc/98/26/02/621982602.db2.gz QICVIZOIONWRRQ-UHFFFAOYSA-N 1 3 323.412 3.334 20 5 DGBDHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081494 622794392 /nfs/dbraw/zinc/79/43/92/622794392.db2.gz YFYVMIKRXWNTNO-PNESKVBLSA-N 1 3 309.385 3.257 20 5 DGBDHO C[NH+](C)C[C@](C)(O)CNCc1c2ccccc2cc2ccccc21 ZINC000131373569 626632274 /nfs/dbraw/zinc/63/22/74/626632274.db2.gz WWFBUZOPVOGWHF-OAQYLSRUSA-N 1 3 322.452 3.395 20 5 DGBDHO Cc1ccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000817947092 627970397 /nfs/dbraw/zinc/97/03/97/627970397.db2.gz JWQAQRVLBCOWPD-CQSZACIVSA-N 1 3 313.401 3.255 20 5 DGBDHO Cc1c([C@H](C)NCc2ccc(CC[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000817949967 627972106 /nfs/dbraw/zinc/97/21/06/627972106.db2.gz VARWGUGTGYNEMB-AWEZNQCLSA-N 1 3 313.401 3.255 20 5 DGBDHO C[C@H]1CC2(CN1Cc1ccc([N+](=O)[O-])c(Cl)c1)CC[NH2+]CC2 ZINC000818431128 628022665 /nfs/dbraw/zinc/02/26/65/628022665.db2.gz GGHBNSRHEBXARE-LBPRGKRZSA-N 1 3 323.824 3.212 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCC(C)CC1 ZINC001173213928 1097381248 /nfs/dbraw/zinc/38/12/48/1097381248.db2.gz MDKGKPGNHPQGHT-INIZCTEOSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CN1CCCC1 ZINC000449282140 240108432 /nfs/dbraw/zinc/10/84/32/240108432.db2.gz FVSSQOFIRUWERO-HNNXBMFYSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(C)(C)C[NH+]1CCCC1 ZINC000449282140 240108438 /nfs/dbraw/zinc/10/84/38/240108438.db2.gz FVSSQOFIRUWERO-HNNXBMFYSA-N 1 3 319.449 3.237 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C2CC2)CC1 ZINC000468631204 244056703 /nfs/dbraw/zinc/05/67/03/244056703.db2.gz KHHHHMDIWIWVCL-KAMYIIQDSA-N 1 3 315.417 3.215 20 5 DGBDHO CC[N@@H+]1CCC[C@H]1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861824 254311473 /nfs/dbraw/zinc/31/14/73/254311473.db2.gz KADQQUMLGAKRNV-SHRNQRGKSA-N 1 3 303.406 3.072 20 5 DGBDHO CC[N@H+]1CCC[C@H]1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861824 254311474 /nfs/dbraw/zinc/31/14/74/254311474.db2.gz KADQQUMLGAKRNV-SHRNQRGKSA-N 1 3 303.406 3.072 20 5 DGBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCC([NH+](C)C)CC1 ZINC000595043501 400086982 /nfs/dbraw/zinc/08/69/82/400086982.db2.gz GBPNJYSDROREES-IYXRBSQSSA-N 1 3 321.421 3.127 20 5 DGBDHO CC(C)[N@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609133435 400143037 /nfs/dbraw/zinc/14/30/37/400143037.db2.gz DOKIPZOGRUDJGK-UHFFFAOYSA-N 1 3 305.422 3.147 20 5 DGBDHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609133435 400143041 /nfs/dbraw/zinc/14/30/41/400143041.db2.gz DOKIPZOGRUDJGK-UHFFFAOYSA-N 1 3 305.422 3.147 20 5 DGBDHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195031 400274208 /nfs/dbraw/zinc/27/42/08/400274208.db2.gz BZLDSUGYAGBBHO-HZPDHXFCSA-N 1 3 319.449 3.236 20 5 DGBDHO Cc1c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595901419 400290502 /nfs/dbraw/zinc/29/05/02/400290502.db2.gz VMHHDWHSYWVGJT-QGZVFWFLSA-N 1 3 317.433 3.115 20 5 DGBDHO Cc1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000595001288 401223747 /nfs/dbraw/zinc/22/37/47/401223747.db2.gz TYGGHYPXCOCXSV-UHFFFAOYSA-N 1 3 317.433 3.115 20 5 DGBDHO CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165388 431885507 /nfs/dbraw/zinc/88/55/07/431885507.db2.gz DTUQAIBMLGUGGV-YOEHRIQHSA-N 1 3 305.422 3.367 20 5 DGBDHO CCC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165566 431885533 /nfs/dbraw/zinc/88/55/33/431885533.db2.gz DTUQAIBMLGUGGV-WMLDXEAASA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262051532 432471188 /nfs/dbraw/zinc/47/11/88/432471188.db2.gz CXINFESUILKMBI-GDBMZVCRSA-N 1 3 305.422 3.038 20 5 DGBDHO CC(C)c1ccc(CN2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000350185569 433109327 /nfs/dbraw/zinc/10/93/27/433109327.db2.gz WOFQKLTUTJNBBI-UHFFFAOYSA-N 1 3 319.449 3.492 20 5 DGBDHO C[N@H+](CCCCNCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000453599446 433231810 /nfs/dbraw/zinc/23/18/10/433231810.db2.gz RGENUIDDGLJKEF-UHFFFAOYSA-N 1 3 311.813 3.212 20 5 DGBDHO C[N@@H+](CCCCNCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000453599446 433231816 /nfs/dbraw/zinc/23/18/16/433231816.db2.gz RGENUIDDGLJKEF-UHFFFAOYSA-N 1 3 311.813 3.212 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000414359601 433566762 /nfs/dbraw/zinc/56/67/62/433566762.db2.gz OULIKTREHWIYIA-SJLPKXTDSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000414359601 433566768 /nfs/dbraw/zinc/56/67/68/433566768.db2.gz OULIKTREHWIYIA-SJLPKXTDSA-N 1 3 317.433 3.134 20 5 DGBDHO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000414359601 433566779 /nfs/dbraw/zinc/56/67/79/433566779.db2.gz OULIKTREHWIYIA-SJLPKXTDSA-N 1 3 317.433 3.134 20 5 DGBDHO CC(C)C[NH+]1CCC(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449072418 433723395 /nfs/dbraw/zinc/72/33/95/433723395.db2.gz KDBRLDLRDJRAAU-OAHLLOKOSA-N 1 3 319.449 3.236 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780929 433828152 /nfs/dbraw/zinc/82/81/52/433828152.db2.gz MDZLNHUMWXGATH-OLZOCXBDSA-N 1 3 323.824 3.070 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000423209638 434286768 /nfs/dbraw/zinc/28/67/68/434286768.db2.gz IZTCIOUZNASTLE-KBPBESRZSA-N 1 3 323.462 3.055 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCNC1 ZINC000423209638 434286775 /nfs/dbraw/zinc/28/67/75/434286775.db2.gz IZTCIOUZNASTLE-KBPBESRZSA-N 1 3 323.462 3.055 20 5 DGBDHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894858420 618480399 /nfs/dbraw/zinc/48/03/99/618480399.db2.gz FSJJHQLOVHLHBD-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894858420 618480402 /nfs/dbraw/zinc/48/04/02/618480402.db2.gz FSJJHQLOVHLHBD-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO CCCN1CCC([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903057517 619707511 /nfs/dbraw/zinc/70/75/11/619707511.db2.gz CULMETLNAMOJRM-CYBMUJFWSA-N 1 3 321.421 3.128 20 5 DGBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CCC([NH3+])CC1 ZINC000843355863 630649679 /nfs/dbraw/zinc/64/96/79/630649679.db2.gz YPYRPKWFJNSSHN-UHFFFAOYSA-N 1 3 321.421 3.084 20 5 DGBDHO C[NH+]1CCC(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000229940004 1202447107 /nfs/dbraw/zinc/44/71/07/1202447107.db2.gz VNSYTOAIWXAQIG-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC001173217097 1097368348 /nfs/dbraw/zinc/36/83/48/1097368348.db2.gz LLKMKRAQCQLBEO-HZPDHXFCSA-N 1 3 319.449 3.380 20 5 DGBDHO Cc1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1[N+](=O)[O-] ZINC001201930197 1102753897 /nfs/dbraw/zinc/75/38/97/1102753897.db2.gz WESFLSYCIPKODI-UHFFFAOYSA-N 1 3 305.422 3.115 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881460 1107175272 /nfs/dbraw/zinc/17/52/72/1107175272.db2.gz WJXJSWDHYMZTAP-KBXCAEBGSA-N 1 3 317.433 3.294 20 5 DGBDHO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427953 186071924 /nfs/dbraw/zinc/07/19/24/186071924.db2.gz CRBMGMQMYRQPCZ-ZIAGYGMSSA-N 1 3 303.406 3.038 20 5 DGBDHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679703 400128391 /nfs/dbraw/zinc/12/83/91/400128391.db2.gz NRBZWLTVZDZTOH-OHFALNGGSA-N 1 3 317.433 3.036 20 5 DGBDHO CCN1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214407 276212395 /nfs/dbraw/zinc/21/23/95/276212395.db2.gz YNSDUPQWDZYPLB-SUMWQHHRSA-N 1 3 317.433 3.249 20 5 DGBDHO CC[NH2+]CC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420288559 433145321 /nfs/dbraw/zinc/14/53/21/433145321.db2.gz JFVAIOIACIYYIW-AWEZNQCLSA-N 1 3 305.422 3.286 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780930 433829082 /nfs/dbraw/zinc/82/90/82/433829082.db2.gz MDZLNHUMWXGATH-QWHCGFSZSA-N 1 3 323.824 3.070 20 5 DGBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422785073 433998775 /nfs/dbraw/zinc/99/87/75/433998775.db2.gz JHHUHLCILQAIBL-BRWVUGGUSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000423011960 434167053 /nfs/dbraw/zinc/16/70/53/434167053.db2.gz JUDSLEJFIPLHEI-GDBMZVCRSA-N 1 3 305.422 3.038 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000532475442 435169371 /nfs/dbraw/zinc/16/93/71/435169371.db2.gz FBDDMKIAJLNKAR-CQSZACIVSA-N 1 3 317.433 3.428 20 5 DGBDHO [NH3+]C[C@H]1C[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000902487327 619646277 /nfs/dbraw/zinc/64/62/77/619646277.db2.gz SXVQHXZQLXXYSO-MZMPZRCHSA-N 1 3 311.385 3.011 20 5 DGBDHO C[N@@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839183479 621344782 /nfs/dbraw/zinc/34/47/82/621344782.db2.gz WWRFMGDQURBIBY-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839183479 621344783 /nfs/dbraw/zinc/34/47/83/621344783.db2.gz WWRFMGDQURBIBY-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@@H]1CC2(CN1Cc1ccc([N+](=O)[O-])c(Cl)c1)CC[NH2+]CC2 ZINC000818431126 628022674 /nfs/dbraw/zinc/02/26/74/628022674.db2.gz GGHBNSRHEBXARE-GFCCVEGCSA-N 1 3 323.824 3.212 20 5 DGBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001168993412 1092476742 /nfs/dbraw/zinc/47/67/42/1092476742.db2.gz MXLNPJSMYBTONW-AEFFLSMTSA-N 1 3 323.481 3.066 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293144 1095507103 /nfs/dbraw/zinc/50/71/03/1095507103.db2.gz KMRXMAAHABXJKH-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO [NH3+]CC1(F)CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001222542824 1095659226 /nfs/dbraw/zinc/65/92/26/1095659226.db2.gz KKWQMFSYRXCURB-UHFFFAOYSA-N 1 3 324.403 3.046 20 5 DGBDHO CCCN(CCC[NH+](C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567985 1106106038 /nfs/dbraw/zinc/10/60/38/1106106038.db2.gz DTCJZZSADUGAQR-OAHLLOKOSA-N 1 3 307.438 3.190 20 5 DGBDHO CCN1CCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881461 1107174955 /nfs/dbraw/zinc/17/49/55/1107174955.db2.gz WJXJSWDHYMZTAP-KDOFPFPSSA-N 1 3 317.433 3.294 20 5 DGBDHO C[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000449089741 240013044 /nfs/dbraw/zinc/01/30/44/240013044.db2.gz LDXKKEVRNSQKOH-HZPDHXFCSA-N 1 3 319.449 3.237 20 5 DGBDHO C[C@H](CN[C@H](C)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000449089741 240013048 /nfs/dbraw/zinc/01/30/48/240013048.db2.gz LDXKKEVRNSQKOH-HZPDHXFCSA-N 1 3 319.449 3.237 20 5 DGBDHO CC[NH+]1CCC(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468653919 244058457 /nfs/dbraw/zinc/05/84/57/244058457.db2.gz RQPGELJGFUZYFC-SDNWHVSQSA-N 1 3 303.406 3.072 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000344792506 254305661 /nfs/dbraw/zinc/30/56/61/254305661.db2.gz NAMUWOIUEYAAMT-SCZPIIQISA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000344792506 254305663 /nfs/dbraw/zinc/30/56/63/254305663.db2.gz NAMUWOIUEYAAMT-SCZPIIQISA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000344792506 254305664 /nfs/dbraw/zinc/30/56/64/254305664.db2.gz NAMUWOIUEYAAMT-SCZPIIQISA-N 1 3 315.417 3.072 20 5 DGBDHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195030 400273837 /nfs/dbraw/zinc/27/38/37/400273837.db2.gz BZLDSUGYAGBBHO-HOTGVXAUSA-N 1 3 319.449 3.236 20 5 DGBDHO Cc1c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900234 400291031 /nfs/dbraw/zinc/29/10/31/400291031.db2.gz BSXJSXVHOLQIEA-INIZCTEOSA-N 1 3 317.433 3.115 20 5 DGBDHO CN(CCCC[NH+]1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000603110001 400642836 /nfs/dbraw/zinc/64/28/36/400642836.db2.gz IXZXCWBQOSFRNO-UHFFFAOYSA-N 1 3 305.422 3.293 20 5 DGBDHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433827 400649481 /nfs/dbraw/zinc/64/94/81/400649481.db2.gz ZADUROJDAPLGEH-IAGOWNOFSA-N 1 3 317.433 3.115 20 5 DGBDHO O=[N+]([O-])c1cccc(CN(CCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000592494402 400658196 /nfs/dbraw/zinc/65/81/96/400658196.db2.gz TYAKRBDQDGBVKO-UHFFFAOYSA-N 1 3 317.433 3.339 20 5 DGBDHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069585 400948047 /nfs/dbraw/zinc/94/80/47/400948047.db2.gz HVZXIUGSXDYSBC-KSSFIOAISA-N 1 3 317.433 3.294 20 5 DGBDHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072066 400949934 /nfs/dbraw/zinc/94/99/34/400949934.db2.gz XHNSTWHFDYCBIG-YOEHRIQHSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364448476 287027791 /nfs/dbraw/zinc/02/77/91/287027791.db2.gz QKWZQFOJOPZPDI-HYVNUMGLSA-N 1 3 317.433 3.132 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364448476 287027793 /nfs/dbraw/zinc/02/77/93/287027793.db2.gz QKWZQFOJOPZPDI-HYVNUMGLSA-N 1 3 317.433 3.132 20 5 DGBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000261661039 432439347 /nfs/dbraw/zinc/43/93/47/432439347.db2.gz GEVWKZGBRWUCDU-KZNAEPCWSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178256979 432712423 /nfs/dbraw/zinc/71/24/23/432712423.db2.gz JXYXXRZEGPBRRG-ZDUSSCGKSA-N 1 3 303.406 3.120 20 5 DGBDHO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CN(C)C ZINC000425924545 433373452 /nfs/dbraw/zinc/37/34/52/433373452.db2.gz PPPLCZUDKJXANU-VYDXJSESSA-N 1 3 319.449 3.093 20 5 DGBDHO Cc1c([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176439 433441945 /nfs/dbraw/zinc/44/19/45/433441945.db2.gz IZZIEPYUFDCJHZ-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1c([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176439 433441954 /nfs/dbraw/zinc/44/19/54/433441954.db2.gz IZZIEPYUFDCJHZ-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO CC(C)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000414769314 433824022 /nfs/dbraw/zinc/82/40/22/433824022.db2.gz NEUVQRIPNHRYLC-IYBDPMFKSA-N 1 3 317.433 3.150 20 5 DGBDHO CC(C)[C@@H](N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414796730 433843882 /nfs/dbraw/zinc/84/38/82/433843882.db2.gz OOPNPQDWEDABEK-HNNXBMFYSA-N 1 3 319.430 3.396 20 5 DGBDHO C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000422918010 434105707 /nfs/dbraw/zinc/10/57/07/434105707.db2.gz HCNOSKFDVZHYGN-PBHICJAKSA-N 1 3 305.422 3.038 20 5 DGBDHO C[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423471988 434441512 /nfs/dbraw/zinc/44/15/12/434441512.db2.gz ZZOUYCFFUIAGCT-KBXCAEBGSA-N 1 3 313.401 3.401 20 5 DGBDHO Cc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000535815213 435356351 /nfs/dbraw/zinc/35/63/51/435356351.db2.gz GORYUBVLXIUPAU-UHFFFAOYSA-N 1 3 319.449 3.455 20 5 DGBDHO Cc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000535815213 435356356 /nfs/dbraw/zinc/35/63/56/435356356.db2.gz GORYUBVLXIUPAU-UHFFFAOYSA-N 1 3 319.449 3.455 20 5 DGBDHO CCN1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818646 435569659 /nfs/dbraw/zinc/56/96/59/435569659.db2.gz CAVPKYIISJLVPQ-FUZMGVLZSA-N 1 3 317.433 3.413 20 5 DGBDHO CCN1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818646 435569660 /nfs/dbraw/zinc/56/96/60/435569660.db2.gz CAVPKYIISJLVPQ-FUZMGVLZSA-N 1 3 317.433 3.413 20 5 DGBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCCC[NH+]1CCCC1 ZINC000584665445 547024060 /nfs/dbraw/zinc/02/40/60/547024060.db2.gz MZKAGEYCNSBDFF-QGZVFWFLSA-N 1 3 317.433 3.438 20 5 DGBDHO C[N@@H+]1CCC[C@@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839180087 621343482 /nfs/dbraw/zinc/34/34/82/621343482.db2.gz CFKOWEOHYYOZON-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839180087 621343484 /nfs/dbraw/zinc/34/34/84/621343484.db2.gz CFKOWEOHYYOZON-LBPRGKRZSA-N 1 3 311.813 3.070 20 5 DGBDHO CCCN1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873009488 623016999 /nfs/dbraw/zinc/01/69/99/623016999.db2.gz LUGLUOIVLYYCEA-UHFFFAOYSA-N 1 3 305.422 3.176 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029930 623021460 /nfs/dbraw/zinc/02/14/60/623021460.db2.gz WCOGAKXOKLFHIG-HNNXBMFYSA-N 1 3 305.422 3.033 20 5 DGBDHO Cc1c(C[NH2+]CC2(CN(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC001662173493 1196690165 /nfs/dbraw/zinc/69/01/65/1196690165.db2.gz KULINMHHXNAMQP-UHFFFAOYSA-N 1 3 305.422 3.115 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246635499 1104638939 /nfs/dbraw/zinc/63/89/39/1104638939.db2.gz ROJSLIWYZXNGMU-CRAIPNDOSA-N 1 3 317.433 3.134 20 5 DGBDHO CCCN(CCC[NH+](C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567984 1106106195 /nfs/dbraw/zinc/10/61/95/1106106195.db2.gz DTCJZZSADUGAQR-HNNXBMFYSA-N 1 3 307.438 3.190 20 5 DGBDHO C[NH+]1CCC(C)(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000227328339 201798635 /nfs/dbraw/zinc/79/86/35/201798635.db2.gz BUDKDBKSFBLBLC-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO CC(C)[N@H+](CC[C@H]1CCCN1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409408 432057002 /nfs/dbraw/zinc/05/70/02/432057002.db2.gz DRLSXUWVQXXODM-MRXNPFEDSA-N 1 3 305.422 3.290 20 5 DGBDHO CC(C)[N@@H+](CC[C@H]1CCCN1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409408 432057003 /nfs/dbraw/zinc/05/70/03/432057003.db2.gz DRLSXUWVQXXODM-MRXNPFEDSA-N 1 3 305.422 3.290 20 5 DGBDHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543772 241166034 /nfs/dbraw/zinc/16/60/34/241166034.db2.gz CRQLBOKWMBNBTN-DLBZAZTESA-N 1 3 317.433 3.259 20 5 DGBDHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543772 241166038 /nfs/dbraw/zinc/16/60/38/241166038.db2.gz CRQLBOKWMBNBTN-DLBZAZTESA-N 1 3 317.433 3.259 20 5 DGBDHO Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433829 400649178 /nfs/dbraw/zinc/64/91/78/400649178.db2.gz ZADUROJDAPLGEH-SJORKVTESA-N 1 3 317.433 3.115 20 5 DGBDHO Cc1c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492868 400658472 /nfs/dbraw/zinc/65/84/72/400658472.db2.gz FCQGMTXYBLWDQK-RDJZCZTQSA-N 1 3 317.433 3.115 20 5 DGBDHO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cccc1[N+](=O)[O-] ZINC000599069297 400949073 /nfs/dbraw/zinc/94/90/73/400949073.db2.gz FKLKHOIQPPOHJZ-CABCVRRESA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1cc(NCC2=CC[N@H+](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000273572166 432612917 /nfs/dbraw/zinc/61/29/17/432612917.db2.gz ALHBDOBPNDTLAL-UHFFFAOYSA-N 1 3 312.373 3.125 20 5 DGBDHO Cc1cc(NCC2=CC[N@@H+](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000273572166 432612922 /nfs/dbraw/zinc/61/29/22/432612922.db2.gz ALHBDOBPNDTLAL-UHFFFAOYSA-N 1 3 312.373 3.125 20 5 DGBDHO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN(C2CCC2)CC1 ZINC000263845454 432584053 /nfs/dbraw/zinc/58/40/53/432584053.db2.gz ZKSSXRRKKWXVBK-GQCTYLIASA-N 1 3 315.417 3.215 20 5 DGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCCC1 ZINC000414846469 433875954 /nfs/dbraw/zinc/87/59/54/433875954.db2.gz SNHTZRSZVRYAST-AWEZNQCLSA-N 1 3 305.422 3.167 20 5 DGBDHO N[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414888113 433899191 /nfs/dbraw/zinc/89/91/91/433899191.db2.gz JUDLXJZVQQEEIL-AWEZNQCLSA-N 1 3 317.414 3.150 20 5 DGBDHO C[C@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414878677 433900141 /nfs/dbraw/zinc/90/01/41/433900141.db2.gz OPGIHHBAIDVFHK-LLVKDONJSA-N 1 3 305.403 3.008 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414908279 433908177 /nfs/dbraw/zinc/90/81/77/433908177.db2.gz RLZNYZIDBDKXNV-UAGQMJEPSA-N 1 3 317.433 3.038 20 5 DGBDHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915871 434107949 /nfs/dbraw/zinc/10/79/49/434107949.db2.gz BVUXIVWADYMGMM-DOTOQJQBSA-N 1 3 305.422 3.025 20 5 DGBDHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422915874 434109049 /nfs/dbraw/zinc/10/90/49/434109049.db2.gz BVUXIVWADYMGMM-WBVHZDCISA-N 1 3 305.422 3.025 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423376930 434389400 /nfs/dbraw/zinc/38/94/00/434389400.db2.gz JKHOSZSAXJREKB-MGPQQGTHSA-N 1 3 323.462 3.325 20 5 DGBDHO CC(C)c1ccc(CNCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000572762775 315815709 /nfs/dbraw/zinc/81/57/09/315815709.db2.gz DUSRITVQTBDLTO-UHFFFAOYSA-N 1 3 313.401 3.467 20 5 DGBDHO Cc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000877684996 623992076 /nfs/dbraw/zinc/99/20/76/623992076.db2.gz HPDPZVDBUKEEKU-UHFFFAOYSA-N 1 3 317.433 3.211 20 5 DGBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248923 624463833 /nfs/dbraw/zinc/46/38/33/624463833.db2.gz YWPHDQBQDJQIGR-OAHLLOKOSA-N 1 3 317.433 3.464 20 5 DGBDHO CCCN1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092165397 193170166 /nfs/dbraw/zinc/17/01/66/193170166.db2.gz XRRNHAUOOHTUDY-SOFGYWHQSA-N 1 3 317.433 3.414 20 5 DGBDHO CCCN1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092165397 193170168 /nfs/dbraw/zinc/17/01/68/193170168.db2.gz XRRNHAUOOHTUDY-SOFGYWHQSA-N 1 3 317.433 3.414 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000468731989 533410004 /nfs/dbraw/zinc/41/00/04/533410004.db2.gz DVJBFVWLJHMOJO-KPJVXMDVSA-N 1 3 317.433 3.461 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000468731989 533410006 /nfs/dbraw/zinc/41/00/06/533410006.db2.gz DVJBFVWLJHMOJO-KPJVXMDVSA-N 1 3 317.433 3.461 20 5 DGBDHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000602022259 400406166 /nfs/dbraw/zinc/40/61/66/400406166.db2.gz SNBSXVFSZHNFSB-ZDUSSCGKSA-N 1 3 311.385 3.091 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493982 400658531 /nfs/dbraw/zinc/65/85/31/400658531.db2.gz YFEQXCANLCHRIM-OAGGEKHMSA-N 1 3 317.433 3.367 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599069313 400949217 /nfs/dbraw/zinc/94/92/17/400949217.db2.gz FZGOJRYROVDBEG-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO CC[NH+](CC)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057847591 401031693 /nfs/dbraw/zinc/03/16/93/401031693.db2.gz IUBUFEWRDPFRCW-UHFFFAOYSA-N 1 3 319.449 3.191 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423376928 273748351 /nfs/dbraw/zinc/74/83/51/273748351.db2.gz JKHOSZSAXJREKB-BFHYXJOUSA-N 1 3 323.462 3.325 20 5 DGBDHO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000425919916 279348626 /nfs/dbraw/zinc/34/86/26/279348626.db2.gz GSQXEFFDUWZQBO-MLGOLLRUSA-N 1 3 305.422 3.105 20 5 DGBDHO CC(C)[N@H+](C)CCCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187373 279354575 /nfs/dbraw/zinc/35/45/75/279354575.db2.gz CDIFINLTWJYIES-KRWDZBQOSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)[N@@H+](C)CCCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187373 279354579 /nfs/dbraw/zinc/35/45/79/279354579.db2.gz CDIFINLTWJYIES-KRWDZBQOSA-N 1 3 319.449 3.236 20 5 DGBDHO CC(C)N(C)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187373 279354581 /nfs/dbraw/zinc/35/45/81/279354581.db2.gz CDIFINLTWJYIES-KRWDZBQOSA-N 1 3 319.449 3.236 20 5 DGBDHO Cc1c([C@H](C)[NH2+]CCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000178410219 432731628 /nfs/dbraw/zinc/73/16/28/432731628.db2.gz YKNVBGCWCBEWQY-HNNXBMFYSA-N 1 3 305.422 3.430 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420305410 433154371 /nfs/dbraw/zinc/15/43/71/433154371.db2.gz KDOVYMVVEDRNHP-WRFANHODSA-N 1 3 303.406 3.023 20 5 DGBDHO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000425919917 433375008 /nfs/dbraw/zinc/37/50/08/433375008.db2.gz GSQXEFFDUWZQBO-WBMJQRKESA-N 1 3 305.422 3.105 20 5 DGBDHO Cc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173006 433438423 /nfs/dbraw/zinc/43/84/23/433438423.db2.gz FYBGVDHPXFQLGT-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173006 433438432 /nfs/dbraw/zinc/43/84/32/433438432.db2.gz FYBGVDHPXFQLGT-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO CC(C)C[NH+]1CCC(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449072417 433725715 /nfs/dbraw/zinc/72/57/15/433725715.db2.gz KDBRLDLRDJRAAU-HNNXBMFYSA-N 1 3 319.449 3.236 20 5 DGBDHO CCC([NH3+])(CC)CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414812816 433855383 /nfs/dbraw/zinc/85/53/83/433855383.db2.gz RXICCJOOQJQHQK-HOCLYGCPSA-N 1 3 319.449 3.413 20 5 DGBDHO O=[N+]([O-])c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422785077 434000940 /nfs/dbraw/zinc/00/09/40/434000940.db2.gz JHHUHLCILQAIBL-IXDOHACOSA-N 1 3 317.433 3.038 20 5 DGBDHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000322820729 434261955 /nfs/dbraw/zinc/26/19/55/434261955.db2.gz CEKNZHNLJBETCJ-UCMJJCQDSA-N 1 3 303.406 3.261 20 5 DGBDHO CC(C)[N@H+](C)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000523702274 434957416 /nfs/dbraw/zinc/95/74/16/434957416.db2.gz MFPOXRYNLDHZEI-UHFFFAOYSA-N 1 3 319.449 3.190 20 5 DGBDHO CC(C)[N@@H+](C)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000523702274 434957422 /nfs/dbraw/zinc/95/74/22/434957422.db2.gz MFPOXRYNLDHZEI-UHFFFAOYSA-N 1 3 319.449 3.190 20 5 DGBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCCCC[NH+]1CCCC1 ZINC000584665444 547024067 /nfs/dbraw/zinc/02/40/67/547024067.db2.gz MZKAGEYCNSBDFF-KRWDZBQOSA-N 1 3 317.433 3.438 20 5 DGBDHO C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000852760263 620646683 /nfs/dbraw/zinc/64/66/83/620646683.db2.gz XGWHHKUYIAJIEH-IUODEOHRSA-N 1 3 309.385 3.073 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790317 619811222 /nfs/dbraw/zinc/81/12/22/619811222.db2.gz BOPRVWNHBLXPCN-CYBMUJFWSA-N 1 3 305.422 3.353 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000866282710 622084694 /nfs/dbraw/zinc/08/46/94/622084694.db2.gz PQYPIWNZIKKCBX-DAXOMENPSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000866282710 622084695 /nfs/dbraw/zinc/08/46/95/622084695.db2.gz PQYPIWNZIKKCBX-DAXOMENPSA-N 1 3 323.412 3.127 20 5 DGBDHO Cc1c(C[NH2+]C2CCN(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000873024929 623020726 /nfs/dbraw/zinc/02/07/26/623020726.db2.gz FDLULEKBEMCTGW-UHFFFAOYSA-N 1 3 303.406 3.010 20 5 DGBDHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC001658642125 1196283172 /nfs/dbraw/zinc/28/31/72/1196283172.db2.gz PWTYLCKZSXRBFJ-BFYDXBDKSA-N 1 3 319.449 3.236 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175070292 1097937485 /nfs/dbraw/zinc/93/74/85/1097937485.db2.gz PYOIDWKHIRSQJZ-OLMNPRSZSA-N 1 3 317.433 3.238 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001175070292 1097937488 /nfs/dbraw/zinc/93/74/88/1097937488.db2.gz PYOIDWKHIRSQJZ-OLMNPRSZSA-N 1 3 317.433 3.238 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246635500 1104638390 /nfs/dbraw/zinc/63/83/90/1104638390.db2.gz ROJSLIWYZXNGMU-MAUKXSAKSA-N 1 3 317.433 3.134 20 5 DGBDHO CCN1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881463 1107175643 /nfs/dbraw/zinc/17/56/43/1107175643.db2.gz WJXJSWDHYMZTAP-RDTXWAMCSA-N 1 3 317.433 3.294 20 5 DGBDHO CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423279585 237838572 /nfs/dbraw/zinc/83/85/72/237838572.db2.gz ROGFCCZFMWFMSM-AEGPPILISA-N 1 3 321.421 3.162 20 5 DGBDHO CC[N@@H+]1CCC[C@@H]1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861819 254311281 /nfs/dbraw/zinc/31/12/81/254311281.db2.gz KADQQUMLGAKRNV-OOXMNIKJSA-N 1 3 303.406 3.072 20 5 DGBDHO CC[N@H+]1CCC[C@@H]1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861819 254311283 /nfs/dbraw/zinc/31/12/83/254311283.db2.gz KADQQUMLGAKRNV-OOXMNIKJSA-N 1 3 303.406 3.072 20 5 DGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCC([NH+](C)C)CC1 ZINC000595043500 400086876 /nfs/dbraw/zinc/08/68/76/400086876.db2.gz GBPNJYSDROREES-HSBZDZAISA-N 1 3 321.421 3.127 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000591275680 400505818 /nfs/dbraw/zinc/50/58/18/400505818.db2.gz XCVSMHBQRRWCTQ-UAGQMJEPSA-N 1 3 317.433 3.038 20 5 DGBDHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599069584 400948163 /nfs/dbraw/zinc/94/81/63/400948163.db2.gz HVZXIUGSXDYSBC-KDOFPFPSSA-N 1 3 317.433 3.294 20 5 DGBDHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072064 400950786 /nfs/dbraw/zinc/95/07/86/400950786.db2.gz XHNSTWHFDYCBIG-RHSMWYFYSA-N 1 3 305.422 3.367 20 5 DGBDHO [NH3+]C1(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594738035 401166163 /nfs/dbraw/zinc/16/61/63/401166163.db2.gz ATGZTKQSGUJSJX-ZBFHGGJFSA-N 1 3 317.433 3.167 20 5 DGBDHO Cc1cc(NCC(C)(C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302181882 230145910 /nfs/dbraw/zinc/14/59/10/230145910.db2.gz NZJWIJOLCYNSCA-UHFFFAOYSA-N 1 3 316.405 3.451 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CCCCC1 ZINC000423261067 279382931 /nfs/dbraw/zinc/38/29/31/279382931.db2.gz IYEAQFZHPVOBJJ-CZUORRHYSA-N 1 3 305.422 3.023 20 5 DGBDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000124361888 431891691 /nfs/dbraw/zinc/89/16/91/431891691.db2.gz LPVRNZOOMZMZJX-KGLIPLIRSA-N 1 3 303.406 3.038 20 5 DGBDHO CC(C)N1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271046537 432320874 /nfs/dbraw/zinc/32/08/74/432320874.db2.gz REOVHMJYLIRRGC-SOFGYWHQSA-N 1 3 317.433 3.413 20 5 DGBDHO CC(C)N1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271046537 432320878 /nfs/dbraw/zinc/32/08/78/432320878.db2.gz REOVHMJYLIRRGC-SOFGYWHQSA-N 1 3 317.433 3.413 20 5 DGBDHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423284183 434337901 /nfs/dbraw/zinc/33/79/01/434337901.db2.gz WNHQDCPWHPUFMY-RRQGHBQHSA-N 1 3 303.406 3.079 20 5 DGBDHO CCCC[C@@H](C[NH3+])N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298116 434351516 /nfs/dbraw/zinc/35/15/16/434351516.db2.gz NEWAPAGMFHICLP-JKSUJKDBSA-N 1 3 305.422 3.023 20 5 DGBDHO C[C@@H]1CC2(CN1C/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378456 434713864 /nfs/dbraw/zinc/71/38/64/434713864.db2.gz NELBVDQFWQWUDS-ZDTYVGOBSA-N 1 3 315.417 3.072 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430126942 527501267 /nfs/dbraw/zinc/50/12/67/527501267.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 1 3 315.417 3.026 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430126942 527501272 /nfs/dbraw/zinc/50/12/72/527501272.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 1 3 315.417 3.026 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430126943 527528881 /nfs/dbraw/zinc/52/88/81/527528881.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 1 3 315.417 3.026 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430126943 527528884 /nfs/dbraw/zinc/52/88/84/527528884.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 1 3 315.417 3.026 20 5 DGBDHO NCC1([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815877 619814373 /nfs/dbraw/zinc/81/43/73/619814373.db2.gz TXCAZOMHRHYHLJ-KRWDZBQOSA-N 1 3 317.433 3.121 20 5 DGBDHO NCC1([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815877 619814374 /nfs/dbraw/zinc/81/43/74/619814374.db2.gz TXCAZOMHRHYHLJ-KRWDZBQOSA-N 1 3 317.433 3.121 20 5 DGBDHO [NH3+]CC1([C@@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815877 619814377 /nfs/dbraw/zinc/81/43/77/619814377.db2.gz TXCAZOMHRHYHLJ-KRWDZBQOSA-N 1 3 317.433 3.121 20 5 DGBDHO C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000903987833 619852288 /nfs/dbraw/zinc/85/22/88/619852288.db2.gz KVCWPDXGGINIES-NSHDSACASA-N 1 3 317.414 3.153 20 5 DGBDHO CC(C)(C[NH3+])C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000904442768 619923150 /nfs/dbraw/zinc/92/31/50/619923150.db2.gz HOTAONPXWVGUDO-FNORWQNLSA-N 1 3 317.433 3.305 20 5 DGBDHO CC1([NH+]2CCC2)CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000922848027 621108012 /nfs/dbraw/zinc/10/80/12/621108012.db2.gz KGGWQXGDXKUGLN-UHFFFAOYSA-N 1 3 303.406 3.091 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CN(C)C)CCCC1 ZINC001657139766 1196110073 /nfs/dbraw/zinc/11/00/73/1196110073.db2.gz GGBRNMUANYQHKU-UHFFFAOYSA-N 1 3 319.449 3.423 20 5 DGBDHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065896 1083873705 /nfs/dbraw/zinc/87/37/05/1083873705.db2.gz RDVOLVZAVZIKIE-YJBOKZPZSA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065896 1083873721 /nfs/dbraw/zinc/87/37/21/1083873721.db2.gz RDVOLVZAVZIKIE-YJBOKZPZSA-N 1 3 319.449 3.190 20 5 DGBDHO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065896 1083873731 /nfs/dbraw/zinc/87/37/31/1083873731.db2.gz RDVOLVZAVZIKIE-YJBOKZPZSA-N 1 3 319.449 3.190 20 5 DGBDHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293147 1095509151 /nfs/dbraw/zinc/50/91/51/1095509151.db2.gz KMRXMAAHABXJKH-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1CN(C)C ZINC001228441928 1097122003 /nfs/dbraw/zinc/12/20/03/1097122003.db2.gz OIJAYTLBVYKJRX-HNNXBMFYSA-N 1 3 301.454 3.375 20 5 DGBDHO CCN(CC)CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899259 1097267561 /nfs/dbraw/zinc/26/75/61/1097267561.db2.gz VVJSXGRWVWZJSZ-KRWDZBQOSA-N 1 3 319.449 3.164 20 5 DGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246635502 1104638032 /nfs/dbraw/zinc/63/80/32/1104638032.db2.gz ROJSLIWYZXNGMU-YJBOKZPZSA-N 1 3 317.433 3.134 20 5 DGBDHO Cc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000092381063 185314962 /nfs/dbraw/zinc/31/49/62/185314962.db2.gz OMRUFBUHKXNWNI-UHFFFAOYSA-N 1 3 305.422 3.067 20 5 DGBDHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111351 400319716 /nfs/dbraw/zinc/31/97/16/400319716.db2.gz WEQZWCUXXOEWTI-DJIMGWMZSA-N 1 3 319.449 3.269 20 5 DGBDHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596111351 400319719 /nfs/dbraw/zinc/31/97/19/400319719.db2.gz WEQZWCUXXOEWTI-DJIMGWMZSA-N 1 3 319.449 3.269 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC[NH+](C)C)CC1 ZINC000075645039 400600410 /nfs/dbraw/zinc/60/04/10/400600410.db2.gz NYZQKBGODWEBBJ-CQSZACIVSA-N 1 3 305.422 3.320 20 5 DGBDHO Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433828 400648844 /nfs/dbraw/zinc/64/88/44/400648844.db2.gz ZADUROJDAPLGEH-IRXDYDNUSA-N 1 3 317.433 3.115 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000598994791 400923523 /nfs/dbraw/zinc/92/35/23/400923523.db2.gz RZTYOCIFIQYHRP-XBNGYDHASA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000598994791 400923525 /nfs/dbraw/zinc/92/35/25/400923525.db2.gz RZTYOCIFIQYHRP-XBNGYDHASA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000598994791 400923528 /nfs/dbraw/zinc/92/35/28/400923528.db2.gz RZTYOCIFIQYHRP-XBNGYDHASA-N 1 3 317.433 3.320 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364448478 287027916 /nfs/dbraw/zinc/02/79/16/287027916.db2.gz QKWZQFOJOPZPDI-OIISXLGYSA-N 1 3 317.433 3.132 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364448478 287027918 /nfs/dbraw/zinc/02/79/18/287027918.db2.gz QKWZQFOJOPZPDI-OIISXLGYSA-N 1 3 317.433 3.132 20 5 DGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCC[NH+](C)C ZINC000271106628 432330838 /nfs/dbraw/zinc/33/08/38/432330838.db2.gz GHGORYSYAOAHJE-ZDUSSCGKSA-N 1 3 311.451 3.007 20 5 DGBDHO CCN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214400 432946101 /nfs/dbraw/zinc/94/61/01/432946101.db2.gz YNSDUPQWDZYPLB-CXAGYDPISA-N 1 3 317.433 3.249 20 5 DGBDHO Cc1c([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176438 433439922 /nfs/dbraw/zinc/43/99/22/433439922.db2.gz IZZIEPYUFDCJHZ-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1c([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176438 433439925 /nfs/dbraw/zinc/43/99/25/433439925.db2.gz IZZIEPYUFDCJHZ-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO CCCC[NH+]1CCC(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449099337 433724058 /nfs/dbraw/zinc/72/40/58/433724058.db2.gz NGILIEDEQIZOBX-OAHLLOKOSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1CN ZINC000414795284 433838670 /nfs/dbraw/zinc/83/86/70/433838670.db2.gz GMFVNEVABCKISN-KBMXLJTQSA-N 1 3 305.422 3.023 20 5 DGBDHO CC(C)(N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414799272 433843660 /nfs/dbraw/zinc/84/36/60/433843660.db2.gz GMDULABGBYGKOU-UHFFFAOYSA-N 1 3 305.403 3.150 20 5 DGBDHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414932222 433920495 /nfs/dbraw/zinc/92/04/95/433920495.db2.gz VNTYMHFAJNYSHQ-ORQFMDKSSA-N 1 3 317.433 3.166 20 5 DGBDHO CC[C@H](N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414977708 433953437 /nfs/dbraw/zinc/95/34/37/433953437.db2.gz KQXOYWVOPGTHQK-LBPRGKRZSA-N 1 3 305.403 3.150 20 5 DGBDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000422792657 434005801 /nfs/dbraw/zinc/00/58/01/434005801.db2.gz RHFVCGXTEZCQQK-GDBMZVCRSA-N 1 3 305.422 3.038 20 5 DGBDHO C[N@H+]1CC=C(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303268 434350269 /nfs/dbraw/zinc/35/02/69/434350269.db2.gz ADBWWXUDJSEIGF-SFHVURJKSA-N 1 3 315.417 3.214 20 5 DGBDHO C[N@@H+]1CC=C(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303268 434350272 /nfs/dbraw/zinc/35/02/72/434350272.db2.gz ADBWWXUDJSEIGF-SFHVURJKSA-N 1 3 315.417 3.214 20 5 DGBDHO CN1CC=C(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303268 434350275 /nfs/dbraw/zinc/35/02/75/434350275.db2.gz ADBWWXUDJSEIGF-SFHVURJKSA-N 1 3 315.417 3.214 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000420324020 301865797 /nfs/dbraw/zinc/86/57/97/301865797.db2.gz AMDAQPVZSVTBPV-CQSZACIVSA-N 1 3 303.406 3.040 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000415069954 534887803 /nfs/dbraw/zinc/88/78/03/534887803.db2.gz PRWRVHKITSJWPP-YOEHRIQHSA-N 1 3 317.433 3.038 20 5 DGBDHO CC(C)[C@H](CN[C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078060 535021390 /nfs/dbraw/zinc/02/13/90/535021390.db2.gz UAYIHTJJZUOTTE-QAPCUYQASA-N 1 3 319.449 3.236 20 5 DGBDHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621819 535526350 /nfs/dbraw/zinc/52/63/50/535526350.db2.gz ZCCAKTPYIUHCFN-MJSCBBHESA-N 1 3 317.433 3.320 20 5 DGBDHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621819 535526356 /nfs/dbraw/zinc/52/63/56/535526356.db2.gz ZCCAKTPYIUHCFN-MJSCBBHESA-N 1 3 317.433 3.320 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621819 535526358 /nfs/dbraw/zinc/52/63/58/535526358.db2.gz ZCCAKTPYIUHCFN-MJSCBBHESA-N 1 3 317.433 3.320 20 5 DGBDHO CC1([NH+]2CCC2)CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000922848553 621108489 /nfs/dbraw/zinc/10/84/89/621108489.db2.gz WMFGLSZIKXUUIB-UHFFFAOYSA-N 1 3 309.435 3.153 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385731 622108050 /nfs/dbraw/zinc/10/80/50/622108050.db2.gz PXQCPOGKYDACFH-DOMZBBRYSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385731 622108053 /nfs/dbraw/zinc/10/80/53/622108053.db2.gz PXQCPOGKYDACFH-DOMZBBRYSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077667 622792672 /nfs/dbraw/zinc/79/26/72/622792672.db2.gz KVMRILWWSFYVCN-GFCCVEGCSA-N 1 3 309.385 3.259 20 5 DGBDHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077667 622792675 /nfs/dbraw/zinc/79/26/75/622792675.db2.gz KVMRILWWSFYVCN-GFCCVEGCSA-N 1 3 309.385 3.259 20 5 DGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246635501 1104637938 /nfs/dbraw/zinc/63/79/38/1104637938.db2.gz ROJSLIWYZXNGMU-QAPCUYQASA-N 1 3 317.433 3.134 20 5 DGBDHO C[NH+](C)CCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092380978 185314851 /nfs/dbraw/zinc/31/48/51/185314851.db2.gz IYZZFMIKNPRBNR-FNORWQNLSA-N 1 3 317.433 3.272 20 5 DGBDHO Cc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415055879 237042671 /nfs/dbraw/zinc/04/26/71/237042671.db2.gz PFCMGFVCPOZMDG-QGZVFWFLSA-N 1 3 313.401 3.473 20 5 DGBDHO CCCC[NH+]1CCC(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449099335 240016932 /nfs/dbraw/zinc/01/69/32/240016932.db2.gz NGILIEDEQIZOBX-HNNXBMFYSA-N 1 3 319.449 3.380 20 5 DGBDHO CC(C)[C@H](CN[C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078061 240007177 /nfs/dbraw/zinc/00/71/77/240007177.db2.gz UAYIHTJJZUOTTE-YJBOKZPZSA-N 1 3 319.449 3.236 20 5 DGBDHO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCN(C2CCC2)CC1 ZINC000338711517 253339346 /nfs/dbraw/zinc/33/93/46/253339346.db2.gz ZKSSXRRKKWXVBK-XQRVVYSFSA-N 1 3 315.417 3.215 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468650668 533384893 /nfs/dbraw/zinc/38/48/93/533384893.db2.gz VFKCSVCJGLXUJR-ZMTKHRCCSA-N 1 3 303.406 3.070 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468650668 533384897 /nfs/dbraw/zinc/38/48/97/533384897.db2.gz VFKCSVCJGLXUJR-ZMTKHRCCSA-N 1 3 303.406 3.070 20 5 DGBDHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679704 400127829 /nfs/dbraw/zinc/12/78/29/400127829.db2.gz NRBZWLTVZDZTOH-TXCZRRACSA-N 1 3 317.433 3.036 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901632 400291126 /nfs/dbraw/zinc/29/11/26/400291126.db2.gz ZHNLDBQFDHOCOB-GDBMZVCRSA-N 1 3 317.433 3.367 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000591278476 400505758 /nfs/dbraw/zinc/50/57/58/400505758.db2.gz GEOOWJFVNXQSCS-BHYGNILZSA-N 1 3 317.433 3.038 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000591278477 400505784 /nfs/dbraw/zinc/50/57/84/400505784.db2.gz GEOOWJFVNXQSCS-UAGQMJEPSA-N 1 3 317.433 3.038 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493981 400658176 /nfs/dbraw/zinc/65/81/76/400658176.db2.gz YFEQXCANLCHRIM-BZUAXINKSA-N 1 3 317.433 3.367 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599071787 400950461 /nfs/dbraw/zinc/95/04/61/400950461.db2.gz SWIZXRNBOVTKAJ-CVEARBPZSA-N 1 3 319.449 3.237 20 5 DGBDHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599072063 400950513 /nfs/dbraw/zinc/95/05/13/400950513.db2.gz XHNSTWHFDYCBIG-PBHICJAKSA-N 1 3 305.422 3.367 20 5 DGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599071788 400950844 /nfs/dbraw/zinc/95/08/44/400950844.db2.gz SWIZXRNBOVTKAJ-HOTGVXAUSA-N 1 3 319.449 3.237 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000598994788 400923045 /nfs/dbraw/zinc/92/30/45/400923045.db2.gz RZTYOCIFIQYHRP-IUYQLWOBSA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000598994788 400923052 /nfs/dbraw/zinc/92/30/52/400923052.db2.gz RZTYOCIFIQYHRP-IUYQLWOBSA-N 1 3 317.433 3.320 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000598994788 400923057 /nfs/dbraw/zinc/92/30/57/400923057.db2.gz RZTYOCIFIQYHRP-IUYQLWOBSA-N 1 3 317.433 3.320 20 5 DGBDHO C[N@H+]1CC=C(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279144466 277023591 /nfs/dbraw/zinc/02/35/91/277023591.db2.gz SEGIHZMHQZLDET-KRWDZBQOSA-N 1 3 315.417 3.169 20 5 DGBDHO C[N@@H+]1CC=C(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279144466 277023592 /nfs/dbraw/zinc/02/35/92/277023592.db2.gz SEGIHZMHQZLDET-KRWDZBQOSA-N 1 3 315.417 3.169 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000449218660 279381791 /nfs/dbraw/zinc/38/17/91/279381791.db2.gz KLEGOINMIHLQPT-CYBMUJFWSA-N 1 3 319.449 3.425 20 5 DGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000449218660 279381795 /nfs/dbraw/zinc/38/17/95/279381795.db2.gz KLEGOINMIHLQPT-CYBMUJFWSA-N 1 3 319.449 3.425 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152426886 432332900 /nfs/dbraw/zinc/33/29/00/432332900.db2.gz SQRNRFVDWRUYIO-KGLIPLIRSA-N 1 3 303.406 3.038 20 5 DGBDHO Cc1cc(NC[C@]2(C)CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261914485 432459527 /nfs/dbraw/zinc/45/95/27/432459527.db2.gz QQOGMXRWMLWEKB-QGZVFWFLSA-N 1 3 314.389 3.253 20 5 DGBDHO Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261914483 432459938 /nfs/dbraw/zinc/45/99/38/432459938.db2.gz QQOGMXRWMLWEKB-KRWDZBQOSA-N 1 3 314.389 3.253 20 5 DGBDHO O=[N+]([O-])c1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000278104201 432884568 /nfs/dbraw/zinc/88/45/68/432884568.db2.gz AKGAYCXUVLRZSK-UHFFFAOYSA-N 1 3 323.824 3.212 20 5 DGBDHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000414955899 433934662 /nfs/dbraw/zinc/93/46/62/433934662.db2.gz UWVSFLXZNJNNIH-WTTBNOFXSA-N 1 3 317.433 3.036 20 5 DGBDHO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CN(C)C ZINC000417353444 434363725 /nfs/dbraw/zinc/36/37/25/434363725.db2.gz XHALQHYSTOLBJT-DYVFJYSZSA-N 1 3 305.422 3.150 20 5 DGBDHO C[NH+](C)CCCC(C)(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000395746774 434417967 /nfs/dbraw/zinc/41/79/67/434417967.db2.gz XHOBWAKGMRORAW-UHFFFAOYSA-N 1 3 313.829 3.458 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000419694698 546803891 /nfs/dbraw/zinc/80/38/91/546803891.db2.gz QNOCMRPWCUOUBW-CABCVRRESA-N 1 3 323.824 3.007 20 5 DGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000419694698 546803896 /nfs/dbraw/zinc/80/38/96/546803896.db2.gz QNOCMRPWCUOUBW-CABCVRRESA-N 1 3 323.824 3.007 20 5 DGBDHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894858419 618480158 /nfs/dbraw/zinc/48/01/58/618480158.db2.gz FSJJHQLOVHLHBD-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO C[N@H+]1CCC[C@H](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894858419 618480160 /nfs/dbraw/zinc/48/01/60/618480160.db2.gz FSJJHQLOVHLHBD-GFCCVEGCSA-N 1 3 311.813 3.070 20 5 DGBDHO CCCN1CCC([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903057518 619707278 /nfs/dbraw/zinc/70/72/78/619707278.db2.gz CULMETLNAMOJRM-ZDUSSCGKSA-N 1 3 321.421 3.128 20 5 DGBDHO CC(C)c1ccc(CN2CC[C@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000904412693 619920850 /nfs/dbraw/zinc/92/08/50/619920850.db2.gz WJQFCIPTVWPDNW-UKRRQHHQSA-N 1 3 305.422 3.135 20 5 DGBDHO CC(C)c1ccc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000904412694 619921120 /nfs/dbraw/zinc/92/11/20/619921120.db2.gz WJQFCIPTVWPDNW-ZFWWWQNUSA-N 1 3 305.422 3.135 20 5 DGBDHO CC(C)(C[NH3+])C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000904442767 619923166 /nfs/dbraw/zinc/92/31/66/619923166.db2.gz HOTAONPXWVGUDO-ALCCZGGFSA-N 1 3 317.433 3.305 20 5 DGBDHO CC[NH+]1CCC(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000084440089 660344733 /nfs/dbraw/zinc/34/47/33/660344733.db2.gz RMBITFYFPVVKEU-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261996609 655657209 /nfs/dbraw/zinc/65/72/09/655657209.db2.gz UPBDXRMJRFINNP-XJKSGUPXSA-N 1 3 303.406 3.120 20 5 DGBDHO CC[NH+]1CCC(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000044517692 655810393 /nfs/dbraw/zinc/81/03/93/655810393.db2.gz YTDHUNZQBVTHKH-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO C[C@H](CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC001658642127 1196283549 /nfs/dbraw/zinc/28/35/49/1196283549.db2.gz PWTYLCKZSXRBFJ-INMHGKMJSA-N 1 3 319.449 3.236 20 5 DGBDHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094261 1105886991 /nfs/dbraw/zinc/88/69/91/1105886991.db2.gz BANZXHJUWLMEJH-HUUCEWRRSA-N 1 3 305.422 3.286 20 5 DGBDHO C[C@H](CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000449237115 240083726 /nfs/dbraw/zinc/08/37/26/240083726.db2.gz AQXGCJXFWLCRTP-JKSUJKDBSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@H](CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000449237115 240083730 /nfs/dbraw/zinc/08/37/30/240083730.db2.gz AQXGCJXFWLCRTP-JKSUJKDBSA-N 1 3 319.449 3.380 20 5 DGBDHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679705 400128343 /nfs/dbraw/zinc/12/83/43/400128343.db2.gz NRBZWLTVZDZTOH-YQFWSFKMSA-N 1 3 317.433 3.036 20 5 DGBDHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1[N+](=O)[O-] ZINC000599069292 400949182 /nfs/dbraw/zinc/94/91/82/400949182.db2.gz FBUASXQCMCUMCV-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420305409 292296994 /nfs/dbraw/zinc/29/69/94/292296994.db2.gz KDOVYMVVEDRNHP-PYTWLRIVSA-N 1 3 303.406 3.023 20 5 DGBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347168295 264169083 /nfs/dbraw/zinc/16/90/83/264169083.db2.gz MINSGPNPQQKNTI-AATOQMJSSA-N 1 3 315.417 3.072 20 5 DGBDHO CC1(C)C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc21 ZINC000332026978 275868929 /nfs/dbraw/zinc/86/89/29/275868929.db2.gz RYRGOXCHQUGWRS-HSMVNMDESA-N 1 3 303.406 3.177 20 5 DGBDHO Cc1cc(NCC2(C)CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261903824 280626071 /nfs/dbraw/zinc/62/60/71/280626071.db2.gz PEWUMVGCLFMCQE-UHFFFAOYSA-N 1 3 314.389 3.253 20 5 DGBDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362356 431891508 /nfs/dbraw/zinc/89/15/08/431891508.db2.gz LPVRNZOOMZMZJX-ZIAGYGMSSA-N 1 3 303.406 3.038 20 5 DGBDHO Cc1cc(NCC[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261611576 432433712 /nfs/dbraw/zinc/43/37/12/432433712.db2.gz BDOGDZMEJCAHLN-ZDUSSCGKSA-N 1 3 314.389 3.253 20 5 DGBDHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CN(C)C ZINC000425924543 433374703 /nfs/dbraw/zinc/37/47/03/433374703.db2.gz PPPLCZUDKJXANU-HLLBOEOZSA-N 1 3 319.449 3.093 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780931 433830899 /nfs/dbraw/zinc/83/08/99/433830899.db2.gz MDZLNHUMWXGATH-STQMWFEESA-N 1 3 323.824 3.070 20 5 DGBDHO NC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000414880519 433901826 /nfs/dbraw/zinc/90/18/26/433901826.db2.gz QWKWJPDFTYRAPM-UHFFFAOYSA-N 1 3 317.414 3.294 20 5 DGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCCCC1 ZINC000414846470 433880007 /nfs/dbraw/zinc/88/00/07/433880007.db2.gz SNHTZRSZVRYAST-CQSZACIVSA-N 1 3 305.422 3.167 20 5 DGBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423010052 434163020 /nfs/dbraw/zinc/16/30/20/434163020.db2.gz FRKXWBXLSVJXFH-RCCFBDPRSA-N 1 3 317.433 3.038 20 5 DGBDHO [NH3+]C1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000423185730 434273727 /nfs/dbraw/zinc/27/37/27/434273727.db2.gz VZMGAINTQYWZOP-MRXNPFEDSA-N 1 3 317.433 3.167 20 5 DGBDHO CCN1CC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331966 434358681 /nfs/dbraw/zinc/35/86/81/434358681.db2.gz WSFYCZAKVHKGCX-KDOFPFPSSA-N 1 3 317.433 3.294 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000560897083 435195345 /nfs/dbraw/zinc/19/53/45/435195345.db2.gz SWCZJZNRAOGQLU-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000560897083 435195349 /nfs/dbraw/zinc/19/53/49/435195349.db2.gz SWCZJZNRAOGQLU-LSDHHAIUSA-N 1 3 305.422 3.286 20 5 DGBDHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023789 435510556 /nfs/dbraw/zinc/51/05/56/435510556.db2.gz AHCRXIFDEIKCGJ-RDTXWAMCSA-N 1 3 317.433 3.294 20 5 DGBDHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000516023789 435510559 /nfs/dbraw/zinc/51/05/59/435510559.db2.gz AHCRXIFDEIKCGJ-RDTXWAMCSA-N 1 3 317.433 3.294 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430126945 527528158 /nfs/dbraw/zinc/52/81/58/527528158.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 1 3 315.417 3.026 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430126945 527528162 /nfs/dbraw/zinc/52/81/62/527528162.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 1 3 315.417 3.026 20 5 DGBDHO CC(C)c1ccc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000904412691 619921201 /nfs/dbraw/zinc/92/12/01/619921201.db2.gz WJQFCIPTVWPDNW-DZGCQCFKSA-N 1 3 305.422 3.135 20 5 DGBDHO Cc1c([C@@H](C)NCc2ccc(CC[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000817949968 627972379 /nfs/dbraw/zinc/97/23/79/627972379.db2.gz VARWGUGTGYNEMB-CQSZACIVSA-N 1 3 313.401 3.255 20 5 DGBDHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817963509 627976958 /nfs/dbraw/zinc/97/69/58/627976958.db2.gz SQGPUOUDSUFIPD-NWDGAFQWSA-N 1 3 314.389 3.048 20 5 DGBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261996599 657276189 /nfs/dbraw/zinc/27/61/89/657276189.db2.gz UPBDXRMJRFINNP-CJNGLKHVSA-N 1 3 303.406 3.120 20 5 DGBDHO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734925 1191989880 /nfs/dbraw/zinc/98/98/80/1191989880.db2.gz SZTLKAOYJZAUKM-YJBOKZPZSA-N 1 3 317.433 3.163 20 5 DGBDHO [NH3+]C[C@@H]1CCCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206633114 1092766632 /nfs/dbraw/zinc/76/66/32/1092766632.db2.gz TVVKBDNGOWTWKB-HNNXBMFYSA-N 1 3 320.440 3.344 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094260 1105887441 /nfs/dbraw/zinc/88/74/41/1105887441.db2.gz BANZXHJUWLMEJH-GJZGRUSLSA-N 1 3 305.422 3.286 20 5 DGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560052 240287776 /nfs/dbraw/zinc/28/77/76/240287776.db2.gz FKBXZNOBOGOERA-ASUYUQDCSA-N 1 3 315.417 3.213 20 5 DGBDHO C[NH+](C)CCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255439387 285156187 /nfs/dbraw/zinc/15/61/87/285156187.db2.gz IYZZFMIKNPRBNR-ALCCZGGFSA-N 1 3 317.433 3.272 20 5 DGBDHO Cc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000093688456 400253383 /nfs/dbraw/zinc/25/33/83/400253383.db2.gz OFEYTTXBOABHES-UHFFFAOYSA-N 1 3 319.449 3.457 20 5 DGBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900364 400290806 /nfs/dbraw/zinc/29/08/06/400290806.db2.gz DHBBOCMLZPQGCV-PBHICJAKSA-N 1 3 317.433 3.367 20 5 DGBDHO CCC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000591579376 400543072 /nfs/dbraw/zinc/54/30/72/400543072.db2.gz UNKLRDSENACBNU-CVEARBPZSA-N 1 3 303.406 3.168 20 5 DGBDHO Cc1c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492866 400658279 /nfs/dbraw/zinc/65/82/79/400658279.db2.gz FCQGMTXYBLWDQK-NVXWUHKLSA-N 1 3 317.433 3.115 20 5 DGBDHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414932346 274957786 /nfs/dbraw/zinc/95/77/86/274957786.db2.gz VNTYMHFAJNYSHQ-SIXLDLHFSA-N 1 3 317.433 3.166 20 5 DGBDHO O=[N+]([O-])c1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000261661041 432439081 /nfs/dbraw/zinc/43/90/81/432439081.db2.gz GEVWKZGBRWUCDU-OKZBNKHCSA-N 1 3 317.433 3.038 20 5 DGBDHO CC1(C)C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc21 ZINC000332026992 432964876 /nfs/dbraw/zinc/96/48/76/432964876.db2.gz RYRGOXCHQUGWRS-WQGACYEGSA-N 1 3 303.406 3.177 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000351972040 433826896 /nfs/dbraw/zinc/82/68/96/433826896.db2.gz ZMJMLEBRMQLLLQ-CQSZACIVSA-N 1 3 305.422 3.238 20 5 DGBDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000422792658 434006341 /nfs/dbraw/zinc/00/63/41/434006341.db2.gz RHFVCGXTEZCQQK-GOEBONIOSA-N 1 3 305.422 3.038 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000423209640 434287730 /nfs/dbraw/zinc/28/77/30/434287730.db2.gz IZTCIOUZNASTLE-UONOGXRCSA-N 1 3 323.462 3.055 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCNC1 ZINC000423209640 434287742 /nfs/dbraw/zinc/28/77/42/434287742.db2.gz IZTCIOUZNASTLE-UONOGXRCSA-N 1 3 323.462 3.055 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423376931 434392647 /nfs/dbraw/zinc/39/26/47/434392647.db2.gz JKHOSZSAXJREKB-MJBXVCDLSA-N 1 3 323.462 3.325 20 5 DGBDHO CCN1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818648 435569529 /nfs/dbraw/zinc/56/95/29/435569529.db2.gz CAVPKYIISJLVPQ-OJJSLQOQSA-N 1 3 317.433 3.413 20 5 DGBDHO CCN1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818648 435569532 /nfs/dbraw/zinc/56/95/32/435569532.db2.gz CAVPKYIISJLVPQ-OJJSLQOQSA-N 1 3 317.433 3.413 20 5 DGBDHO CCN1CC[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818649 435570014 /nfs/dbraw/zinc/57/00/14/435570014.db2.gz CAVPKYIISJLVPQ-OWWQLCIYSA-N 1 3 317.433 3.413 20 5 DGBDHO CCN1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818649 435570015 /nfs/dbraw/zinc/57/00/15/435570015.db2.gz CAVPKYIISJLVPQ-OWWQLCIYSA-N 1 3 317.433 3.413 20 5 DGBDHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000183952667 323352090 /nfs/dbraw/zinc/35/20/90/323352090.db2.gz TWUYJLOERRGPLQ-CQSZACIVSA-N 1 3 305.422 3.367 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000415069953 534887711 /nfs/dbraw/zinc/88/77/11/534887711.db2.gz PRWRVHKITSJWPP-WMLDXEAASA-N 1 3 317.433 3.038 20 5 DGBDHO CC(C)c1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415008084 528100567 /nfs/dbraw/zinc/10/05/67/528100567.db2.gz MIIABVRAQFMGEK-DLBZAZTESA-N 1 3 317.433 3.196 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385732 622108411 /nfs/dbraw/zinc/10/84/11/622108411.db2.gz PXQCPOGKYDACFH-IUODEOHRSA-N 1 3 323.412 3.127 20 5 DGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385732 622108414 /nfs/dbraw/zinc/10/84/14/622108414.db2.gz PXQCPOGKYDACFH-IUODEOHRSA-N 1 3 323.412 3.127 20 5 DGBDHO Cc1c(CNCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000873009131 623016398 /nfs/dbraw/zinc/01/63/98/623016398.db2.gz SYLIZRWJXTXSSV-UHFFFAOYSA-N 1 3 313.401 3.255 20 5 DGBDHO CCN1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881462 1107175104 /nfs/dbraw/zinc/17/51/04/1107175104.db2.gz WJXJSWDHYMZTAP-KSSFIOAISA-N 1 3 317.433 3.294 20 5 DGBDHO C[NH+]1CCC(CCNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000168126963 432067843 /nfs/dbraw/zinc/06/78/43/432067843.db2.gz HNLNETWIKVBOHH-UHFFFAOYSA-N 1 3 311.813 3.070 20 5 DGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414908283 285161448 /nfs/dbraw/zinc/16/14/48/285161448.db2.gz RLZNYZIDBDKXNV-USXIJHARSA-N 1 3 317.433 3.038 20 5 DGBDHO CC[NH+]1CCC(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121793595 195347903 /nfs/dbraw/zinc/34/79/03/195347903.db2.gz XNXZUKOGAMTYFX-CQSZACIVSA-N 1 3 305.422 3.367 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000468731991 533384282 /nfs/dbraw/zinc/38/42/82/533384282.db2.gz DVJBFVWLJHMOJO-QYRJGMMTSA-N 1 3 317.433 3.461 20 5 DGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000468731991 533384287 /nfs/dbraw/zinc/38/42/87/533384287.db2.gz DVJBFVWLJHMOJO-QYRJGMMTSA-N 1 3 317.433 3.461 20 5 DGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCC[N@H+](C)C1CC1 ZINC000595052969 400091162 /nfs/dbraw/zinc/09/11/62/400091162.db2.gz UOYNQVWTRPXLSA-ZDUSSCGKSA-N 1 3 321.421 3.128 20 5 DGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCC[N@@H+](C)C1CC1 ZINC000595052969 400091165 /nfs/dbraw/zinc/09/11/65/400091165.db2.gz UOYNQVWTRPXLSA-ZDUSSCGKSA-N 1 3 321.421 3.128 20 5 DGBDHO CC(C)C[N@@H+]1CCC[C@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602575628 400501781 /nfs/dbraw/zinc/50/17/81/400501781.db2.gz TWFGCRRXQIXNCQ-QGZVFWFLSA-N 1 3 319.449 3.095 20 5 DGBDHO CC(C)C[N@H+]1CCC[C@H](CNCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602575628 400501782 /nfs/dbraw/zinc/50/17/82/400501782.db2.gz TWFGCRRXQIXNCQ-QGZVFWFLSA-N 1 3 319.449 3.095 20 5 DGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCCC1 ZINC000596649316 400472088 /nfs/dbraw/zinc/47/20/88/400472088.db2.gz YPDJRTPSKSKEQR-CYBMUJFWSA-N 1 3 323.462 3.327 20 5 DGBDHO O=[N+]([O-])c1ccc(CN(CCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000592494339 400658141 /nfs/dbraw/zinc/65/81/41/400658141.db2.gz QTHYQHVPNYTUOX-UHFFFAOYSA-N 1 3 317.433 3.339 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420314452 281021322 /nfs/dbraw/zinc/02/13/22/281021322.db2.gz KXPMRBPXBVTJOE-HOCLYGCPSA-N 1 3 317.433 3.286 20 5 DGBDHO CC1(C)C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc21 ZINC000332026982 432964979 /nfs/dbraw/zinc/96/49/79/432964979.db2.gz RYRGOXCHQUGWRS-MKBNYLNASA-N 1 3 303.406 3.177 20 5 DGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338159 433170449 /nfs/dbraw/zinc/17/04/49/433170449.db2.gz PCYBNCONONJADV-KDOFPFPSSA-N 1 3 317.433 3.428 20 5 DGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780928 433829991 /nfs/dbraw/zinc/82/99/91/433829991.db2.gz MDZLNHUMWXGATH-CHWSQXEVSA-N 1 3 323.824 3.070 20 5 DGBDHO O=[N+]([O-])c1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423010051 434161697 /nfs/dbraw/zinc/16/16/97/434161697.db2.gz FRKXWBXLSVJXFH-OKZBNKHCSA-N 1 3 317.433 3.038 20 5 DGBDHO [NH3+]C1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000423185729 434272681 /nfs/dbraw/zinc/27/26/81/434272681.db2.gz VZMGAINTQYWZOP-INIZCTEOSA-N 1 3 317.433 3.167 20 5 DGBDHO Cc1c(CN2CCC(C[N@@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000524156126 434970637 /nfs/dbraw/zinc/97/06/37/434970637.db2.gz LBEICSOHYBORQT-UHFFFAOYSA-N 1 3 319.449 3.455 20 5 DGBDHO Cc1c(CN2CCC(C[N@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000524156126 434970641 /nfs/dbraw/zinc/97/06/41/434970641.db2.gz LBEICSOHYBORQT-UHFFFAOYSA-N 1 3 319.449 3.455 20 5 DGBDHO CC(C)[NH2+]CCCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381420 435427873 /nfs/dbraw/zinc/42/78/73/435427873.db2.gz LBVJATLKYWNPSO-RDJZCZTQSA-N 1 3 319.449 3.284 20 5 DGBDHO CC(C)NCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000568381420 435427877 /nfs/dbraw/zinc/42/78/77/435427877.db2.gz LBVJATLKYWNPSO-RDJZCZTQSA-N 1 3 319.449 3.284 20 5 DGBDHO CCCCN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577412846 316234384 /nfs/dbraw/zinc/23/43/84/316234384.db2.gz RCIIIKFFIBUJOZ-QGZVFWFLSA-N 1 3 317.433 3.436 20 5 DGBDHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184473679 323366450 /nfs/dbraw/zinc/36/64/50/323366450.db2.gz HBLYSXHKSLZXTJ-AWEZNQCLSA-N 1 3 305.422 3.367 20 5 DGBDHO CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000817949977 627972128 /nfs/dbraw/zinc/97/21/28/627972128.db2.gz VMINUACIQSBCQQ-GOSISDBHSA-N 1 3 313.401 3.337 20 5 DGBDHO